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]1C[C@@H]1[C@H]1C[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000716631158 815137548 /nfs/dbraw/zinc/13/75/48/815137548.db2.gz LRVICRIKGZCICZ-KATARQTJSA-N -1 3 263.297 2.399 20 5 CEBDHM CC(C)(C)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC001121000358 815305015 /nfs/dbraw/zinc/30/50/15/815305015.db2.gz NBYOHZCYIVAEJG-LLVKDONJSA-N -1 3 295.339 2.337 20 5 CEBDHM O=[N+]([O-])c1c2[nH]cnc2ccc1NCc1ncccc1[O-] ZINC001169731792 811649966 /nfs/dbraw/zinc/64/99/66/811649966.db2.gz HFNCPZVQSUREAI-UHFFFAOYSA-N -1 3 285.263 2.184 20 5 CEBDHM CC(C)c1coc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001141145507 816487258 /nfs/dbraw/zinc/48/72/58/816487258.db2.gz QSJLRWHRPVOOQT-UHFFFAOYSA-N -1 3 292.251 2.059 20 5 CEBDHM COc1cc(CNC[C@H](OC)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000072924804 343815480 /nfs/dbraw/zinc/81/54/80/343815480.db2.gz IZPPTPMPSDQBBG-AWEZNQCLSA-N -1 3 298.339 2.070 20 5 CEBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000093284251 344218203 /nfs/dbraw/zinc/21/82/03/344218203.db2.gz AKKHJPODWITUHN-UHFFFAOYSA-N -1 3 280.324 2.159 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252606230 344640675 /nfs/dbraw/zinc/64/06/75/344640675.db2.gz QJPFOWHHRDPDHE-FOGDFJRCSA-N -1 3 278.308 2.451 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592107399 345323075 /nfs/dbraw/zinc/32/30/75/345323075.db2.gz DBIGPMHUZRQFIP-GARJFASQSA-N -1 3 296.348 2.062 20 5 CEBDHM CC(C)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596165514 345957612 /nfs/dbraw/zinc/95/76/12/345957612.db2.gz TVPBGIREDCZUPP-SECBINFHSA-N -1 3 251.286 2.178 20 5 CEBDHM Cc1nc(C)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596140847 345949832 /nfs/dbraw/zinc/94/98/32/345949832.db2.gz JMKYVVNAQKJHTC-UHFFFAOYSA-N -1 3 280.309 2.381 20 5 CEBDHM CCO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000596144406 345950888 /nfs/dbraw/zinc/95/08/88/345950888.db2.gz DBZXALYDEBYCKY-GHMZBOCLSA-N -1 3 293.323 2.455 20 5 CEBDHM CC(C)CC[C@@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596145343 345950979 /nfs/dbraw/zinc/95/09/79/345950979.db2.gz KUMUSJJOINYKGI-CYBMUJFWSA-N -1 3 283.328 2.295 20 5 CEBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596144239 345951094 /nfs/dbraw/zinc/95/10/94/345951094.db2.gz FJQGGNQKBOKMHY-MRVPVSSYSA-N -1 3 269.326 2.027 20 5 CEBDHM CC1(C)CCC[C@@](O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596203134 345968161 /nfs/dbraw/zinc/96/81/61/345968161.db2.gz MJHADIURYUQWOG-AWEZNQCLSA-N -1 3 295.339 2.439 20 5 CEBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1(O)CCCC1 ZINC000596262358 345984763 /nfs/dbraw/zinc/98/47/63/345984763.db2.gz QZRVRPICZSNEMJ-UHFFFAOYSA-N -1 3 295.339 2.439 20 5 CEBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000596279694 345990242 /nfs/dbraw/zinc/99/02/42/345990242.db2.gz ZQJIQONFLYOJFY-NXEZZACHSA-N -1 3 281.312 2.089 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CC=CC1 ZINC000599385897 346511664 /nfs/dbraw/zinc/51/16/64/346511664.db2.gz IMAXPMAKMJUPIG-UHFFFAOYSA-N -1 3 296.348 2.148 20 5 CEBDHM C[C@H](CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000086807967 179339514 /nfs/dbraw/zinc/33/95/14/179339514.db2.gz SEVBJURILQFVLQ-ZJUUUORDSA-N -1 3 266.297 2.308 20 5 CEBDHM C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000578626240 366523108 /nfs/dbraw/zinc/52/31/08/366523108.db2.gz GJBBLZKHIWEMIB-GWCFXTLKSA-N -1 3 278.308 2.137 20 5 CEBDHM O=C([O-])C[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000038027758 304082839 /nfs/dbraw/zinc/08/28/39/304082839.db2.gz QOUXBAXOZHKLNP-GFCCVEGCSA-N -1 3 278.308 2.424 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000339010435 366613037 /nfs/dbraw/zinc/61/30/37/366613037.db2.gz BNVMWZMLLXNBIA-BXUZGUMPSA-N -1 3 292.335 2.301 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@]2(C1)CCCOC2 ZINC000339170980 366688708 /nfs/dbraw/zinc/68/87/08/366688708.db2.gz JTOZUIYKGKZFGX-OAHLLOKOSA-N -1 3 292.335 2.303 20 5 CEBDHM Cn1cnc2cc([N-]c3ncc([N+](=O)[O-])cn3)ccc21 ZINC000354583437 370421162 /nfs/dbraw/zinc/42/11/62/370421162.db2.gz WAOAPKGOKLGTFX-UHFFFAOYSA-N -1 3 270.252 2.015 20 5 CEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C(=O)[O-] ZINC000262645044 190059349 /nfs/dbraw/zinc/05/93/49/190059349.db2.gz JURNSDONSKKYST-JTQLQIEISA-N -1 3 296.323 2.287 20 5 CEBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000330446595 377137615 /nfs/dbraw/zinc/13/76/15/377137615.db2.gz XYEBRGZQPZBPOV-LLVKDONJSA-N -1 3 280.324 2.159 20 5 CEBDHM CC(C)[C@@H]1CN(C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330894482 377202208 /nfs/dbraw/zinc/20/22/08/377202208.db2.gz FJLVXVOFQCUNOX-HNNXBMFYSA-N -1 3 293.367 2.072 20 5 CEBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]OC(C)C)cc1OC ZINC000296746580 378634940 /nfs/dbraw/zinc/63/49/40/378634940.db2.gz BBALQKLWZNZHRS-UHFFFAOYSA-N -1 3 298.295 2.072 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1NC([O-])=NOC(C)C ZINC000296700895 378622528 /nfs/dbraw/zinc/62/25/28/378622528.db2.gz KLFHDLUHCIDQND-UHFFFAOYSA-N -1 3 283.284 2.455 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC(C)C ZINC000296700895 378622530 /nfs/dbraw/zinc/62/25/30/378622530.db2.gz KLFHDLUHCIDQND-UHFFFAOYSA-N -1 3 283.284 2.455 20 5 CEBDHM Cc1[nH]nc(C(=O)[N-]c2nc(C(C)C)cs2)c1[N+](=O)[O-] ZINC000354709741 220892571 /nfs/dbraw/zinc/89/25/71/220892571.db2.gz GEHUDIFGPPSADA-UHFFFAOYSA-N -1 3 295.324 2.459 20 5 CEBDHM CC(C)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000339137604 394945927 /nfs/dbraw/zinc/94/59/27/394945927.db2.gz RNEBRHRQFJYNNO-HNNXBMFYSA-N -1 3 293.367 2.072 20 5 CEBDHM O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428031753 395132744 /nfs/dbraw/zinc/13/27/44/395132744.db2.gz HSVLDTOHUWPLIW-UHFFFAOYSA-N -1 3 289.226 2.191 20 5 CEBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000172165747 162402213 /nfs/dbraw/zinc/40/22/13/162402213.db2.gz AKSULQWRXPMOMA-SNVBAGLBSA-N -1 3 298.364 2.452 20 5 CEBDHM Cc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2C)on1 ZINC000030057796 280369881 /nfs/dbraw/zinc/36/98/81/280369881.db2.gz JNWISASWWMMQCT-UHFFFAOYSA-N -1 3 261.237 2.452 20 5 CEBDHM CSc1cccc(C(=O)[N-]c2nocc2C)c1[N+](=O)[O-] ZINC000486942283 290322598 /nfs/dbraw/zinc/32/25/98/290322598.db2.gz LSQTZEQNUNEZPS-UHFFFAOYSA-N -1 3 293.304 2.287 20 5 CEBDHM O=C([O-])C1(NCc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000532712338 298149865 /nfs/dbraw/zinc/14/98/65/298149865.db2.gz ZIZIIMIMNDKOGA-UHFFFAOYSA-N -1 3 282.271 2.221 20 5 CEBDHM O=C(c1ccc([N+](=O)[O-])cn1)N1CCCc2cccc([O-])c21 ZINC000537613809 298215812 /nfs/dbraw/zinc/21/58/12/298215812.db2.gz KYMWLQVKNGWPAI-UHFFFAOYSA-N -1 3 299.286 2.288 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C1 ZINC000131916979 302048854 /nfs/dbraw/zinc/04/88/54/302048854.db2.gz UAVFEZPEMDKMIC-GXSJLCMTSA-N -1 3 298.364 2.370 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000076306788 302049971 /nfs/dbraw/zinc/04/99/71/302049971.db2.gz WNWWEQMGZKPSLG-NSHDSACASA-N -1 3 296.348 2.290 20 5 CEBDHM Cc1cc([N-]C(=O)COc2ccc([N+](=O)[O-])cc2F)on1 ZINC000194601755 533947652 /nfs/dbraw/zinc/94/76/52/533947652.db2.gz XAFBZYWMACEAMZ-UHFFFAOYSA-N -1 3 295.226 2.048 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN(CC(=O)[O-])CC(C)C ZINC000062743128 525457827 /nfs/dbraw/zinc/45/78/27/525457827.db2.gz PILYKXCQIQGBOT-UHFFFAOYSA-N -1 3 296.323 2.146 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2[O-])n1 ZINC000191755750 529154418 /nfs/dbraw/zinc/15/44/18/529154418.db2.gz QHZYQDJJXVAYDL-UHFFFAOYSA-N -1 3 290.279 2.078 20 5 CEBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cncc([O-])c1 ZINC000732391892 574620154 /nfs/dbraw/zinc/62/01/54/574620154.db2.gz QEKDUWHTCCUUEC-UHFFFAOYSA-N -1 3 292.222 2.192 20 5 CEBDHM Cc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737399847 574832177 /nfs/dbraw/zinc/83/21/77/574832177.db2.gz NCKKOIVKTNEYCN-UHFFFAOYSA-N -1 3 297.278 2.222 20 5 CEBDHM Cc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737399847 574832178 /nfs/dbraw/zinc/83/21/78/574832178.db2.gz NCKKOIVKTNEYCN-UHFFFAOYSA-N -1 3 297.278 2.222 20 5 CEBDHM Cc1ccnc(Oc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000737437342 574834308 /nfs/dbraw/zinc/83/43/08/574834308.db2.gz OOVUZLKDGUOYPG-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1ccnc(Oc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000737437342 574834309 /nfs/dbraw/zinc/83/43/09/574834309.db2.gz OOVUZLKDGUOYPG-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM C[C@H](NCCN(C(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000825496880 603832593 /nfs/dbraw/zinc/83/25/93/603832593.db2.gz WOGMBFKKIRRYFN-JTQLQIEISA-N -1 3 293.323 2.388 20 5 CEBDHM O=C([O-])c1oc2ccccc2c1Cn1nccc1[N+](=O)[O-] ZINC000833346462 604387187 /nfs/dbraw/zinc/38/71/87/604387187.db2.gz PQPCWMUIZHSMJP-UHFFFAOYSA-N -1 3 287.231 2.284 20 5 CEBDHM O=C([O-])CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000833249497 604790025 /nfs/dbraw/zinc/79/00/25/604790025.db2.gz RXBBRMYOFUEIBA-UHFFFAOYSA-N -1 3 284.699 2.297 20 5 CEBDHM Cc1cn(Cc2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000822383771 607021994 /nfs/dbraw/zinc/02/19/94/607021994.db2.gz BOENBSBZWOPKLK-UHFFFAOYSA-N -1 3 298.306 2.242 20 5 CEBDHM Cc1cn(Cc2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000822383771 607021997 /nfs/dbraw/zinc/02/19/97/607021997.db2.gz BOENBSBZWOPKLK-UHFFFAOYSA-N -1 3 298.306 2.242 20 5 CEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000824650583 608016864 /nfs/dbraw/zinc/01/68/64/608016864.db2.gz SBPUZQBTWNWJCB-MRVPVSSYSA-N -1 3 299.294 2.276 20 5 CEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000824650583 608016865 /nfs/dbraw/zinc/01/68/65/608016865.db2.gz SBPUZQBTWNWJCB-MRVPVSSYSA-N -1 3 299.294 2.276 20 5 CEBDHM C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000896247899 630508453 /nfs/dbraw/zinc/50/84/53/630508453.db2.gz JAWSWEGJGKSVHI-SFYZADRCSA-N -1 3 269.326 2.391 20 5 CEBDHM CC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000843039894 640247615 /nfs/dbraw/zinc/24/76/15/640247615.db2.gz SJEIXRGEZSGULP-JTQLQIEISA-N -1 3 272.688 2.201 20 5 CEBDHM CC(C)(O)[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000877796978 650913889 /nfs/dbraw/zinc/91/38/89/650913889.db2.gz OJKMHQPYRPFBRC-LBPRGKRZSA-N -1 3 294.351 2.283 20 5 CEBDHM O=c1ccnc(C=CC=Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000764433144 645639822 /nfs/dbraw/zinc/63/98/22/645639822.db2.gz COTDFWWQTRNPHO-VKDZAETISA-N -1 3 269.260 2.405 20 5 CEBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1nccs1 ZINC001225664955 805106700 /nfs/dbraw/zinc/10/67/00/805106700.db2.gz VIYDCECGSJMXFV-LURJTMIESA-N -1 3 267.266 2.292 20 5 CEBDHM O=C([N-]c1ccon1)c1ccc([N+](=O)[O-])cc1Cl ZINC000070192785 808187749 /nfs/dbraw/zinc/18/77/49/808187749.db2.gz FGDGOQLAHIGEAF-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM COc1cccc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC001169731591 811649766 /nfs/dbraw/zinc/64/97/66/811649766.db2.gz BXJRDVKYWLPJSC-UHFFFAOYSA-N -1 3 275.264 2.316 20 5 CEBDHM COc1cc([N+](=O)[O-])c(NCc2ncccc2[O-])cc1F ZINC001169733542 811650602 /nfs/dbraw/zinc/65/06/02/811650602.db2.gz YTGVICLDVRUOEU-UHFFFAOYSA-N -1 3 293.254 2.455 20 5 CEBDHM COc1ccc([N-]C(=O)c2conc2C)c([N+](=O)[O-])c1 ZINC001124402887 815615363 /nfs/dbraw/zinc/61/53/63/815615363.db2.gz CTEUKRYELGFYRC-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM CC(C)c1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC001115946989 814762398 /nfs/dbraw/zinc/76/23/98/814762398.db2.gz AHWQSMIFRJRLKF-UHFFFAOYSA-N -1 3 281.297 2.150 20 5 CEBDHM O=C([N-]OCCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000714020137 814882158 /nfs/dbraw/zinc/88/21/58/814882158.db2.gz VKYKCDUUYYALKT-UHFFFAOYSA-N -1 3 296.176 2.348 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]C2(C)CCC2)cc1[N+](=O)[O-] ZINC000125748728 365684133 /nfs/dbraw/zinc/68/41/33/365684133.db2.gz BWIYIIVYEWWYLJ-UHFFFAOYSA-N -1 3 290.366 2.186 20 5 CEBDHM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000601491495 346841923 /nfs/dbraw/zinc/84/19/23/346841923.db2.gz BXOADKWDUQRZFQ-NXEZZACHSA-N -1 3 284.337 2.062 20 5 CEBDHM C[C@@H](O)C[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093482061 344225319 /nfs/dbraw/zinc/22/53/19/344225319.db2.gz ZQABMDDBNVOEGN-PWSUYJOCSA-N -1 3 280.324 2.036 20 5 CEBDHM CCCO[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493196261 290754979 /nfs/dbraw/zinc/75/49/79/290754979.db2.gz JSRYMWVJHIKVCP-GQCTYLIASA-N -1 3 268.244 2.205 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1[N+](=O)[O-] ZINC000596160998 345956319 /nfs/dbraw/zinc/95/63/19/345956319.db2.gz BKFINMBFCRFKJN-CYZMBNFOSA-N -1 3 283.287 2.446 20 5 CEBDHM O=c1[n-]ccc(N[C@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596166889 345957980 /nfs/dbraw/zinc/95/79/80/345957980.db2.gz YFXCMDRKQRYXJI-VIFPVBQESA-N -1 3 279.296 2.209 20 5 CEBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596177653 345960748 /nfs/dbraw/zinc/96/07/48/345960748.db2.gz NQPVNBMCVQCGFW-DTWKUNHWSA-N -1 3 251.286 2.178 20 5 CEBDHM C[C@H](CCO)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596185501 345964204 /nfs/dbraw/zinc/96/42/04/345964204.db2.gz MPDRLIWXUHTESK-SNVBAGLBSA-N -1 3 295.339 2.296 20 5 CEBDHM C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CS1 ZINC000596273166 345988426 /nfs/dbraw/zinc/98/84/26/345988426.db2.gz OHXQKAAHFYZSHB-RNFRBKRXSA-N -1 3 255.299 2.001 20 5 CEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000596289015 345991741 /nfs/dbraw/zinc/99/17/41/345991741.db2.gz KDBVUTXALJBSRF-JTQLQIEISA-N -1 3 293.323 2.233 20 5 CEBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(F)ccn2)c1[N+](=O)[O-] ZINC000598763939 346415659 /nfs/dbraw/zinc/41/56/59/346415659.db2.gz NBBYELDNADNERE-UHFFFAOYSA-N -1 3 293.258 2.057 20 5 CEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599119616 346462709 /nfs/dbraw/zinc/46/27/09/346462709.db2.gz VACKMWQIURQLDD-YUMQZZPRSA-N -1 3 287.266 2.423 20 5 CEBDHM C[C@]1(C(=O)[O-])CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000600711846 346675669 /nfs/dbraw/zinc/67/56/69/346675669.db2.gz ZHPKCFFBEAUALE-CYBMUJFWSA-N -1 3 282.271 2.173 20 5 CEBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256702 347759414 /nfs/dbraw/zinc/75/94/14/347759414.db2.gz QJWQYMHIGIBDOG-LLVKDONJSA-N -1 3 280.324 2.159 20 5 CEBDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613466613 348053553 /nfs/dbraw/zinc/05/35/53/348053553.db2.gz VTBQBWLQXNYWCA-ZETCQYMHSA-N -1 3 292.382 2.432 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000122868052 187056586 /nfs/dbraw/zinc/05/65/86/187056586.db2.gz UQDCUQVVCJGLTG-ZCFIWIBFSA-N -1 3 290.366 2.042 20 5 CEBDHM Cc1c(CC(=O)[N-]OC/C=C/Cl)cccc1[N+](=O)[O-] ZINC000291966078 198120232 /nfs/dbraw/zinc/12/02/32/198120232.db2.gz XTJNQQNSRUEWAA-ZZXKWVIFSA-N -1 3 284.699 2.246 20 5 CEBDHM C[C@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000570051799 299234059 /nfs/dbraw/zinc/23/40/59/299234059.db2.gz WJTUMCVSDOBNCK-SNVBAGLBSA-N -1 3 278.308 2.280 20 5 CEBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC(O)CC1 ZINC000339114426 366657943 /nfs/dbraw/zinc/65/79/43/366657943.db2.gz XDBBPTOQNDQFTL-UHFFFAOYSA-N -1 3 280.324 2.036 20 5 CEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2n[n-]nc2c1 ZINC000032032471 361724037 /nfs/dbraw/zinc/72/40/37/361724037.db2.gz BOLNDEZRWVFUAY-UHFFFAOYSA-N -1 3 283.247 2.118 20 5 CEBDHM CC1(C)C([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000352862392 369919829 /nfs/dbraw/zinc/91/98/29/369919829.db2.gz OBYMASLSLMKVNG-UHFFFAOYSA-N -1 3 298.364 2.308 20 5 CEBDHM CCc1nc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])sc1C ZINC000354579215 370419686 /nfs/dbraw/zinc/41/96/86/370419686.db2.gz OUABETZJNPUPJV-UHFFFAOYSA-N -1 3 295.324 2.206 20 5 CEBDHM O=C([N-]c1nc(C2CCC2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000278272942 374766365 /nfs/dbraw/zinc/76/63/65/374766365.db2.gz ZDRZCTGENIHTCV-UHFFFAOYSA-N -1 3 293.308 2.294 20 5 CEBDHM CSCCON=C([O-])Nc1ccc([N+](=O)[O-])cc1F ZINC000279813510 374998060 /nfs/dbraw/zinc/99/80/60/374998060.db2.gz BFXAYKSQKCZDAF-UHFFFAOYSA-N -1 3 289.288 2.150 20 5 CEBDHM CSCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000279813510 374998064 /nfs/dbraw/zinc/99/80/64/374998064.db2.gz BFXAYKSQKCZDAF-UHFFFAOYSA-N -1 3 289.288 2.150 20 5 CEBDHM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCc2cccc([O-])c21 ZINC000063063871 284617171 /nfs/dbraw/zinc/61/71/71/284617171.db2.gz WVRNRKUIVQNSFD-UHFFFAOYSA-N -1 3 287.275 2.222 20 5 CEBDHM CCC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000332176869 377535553 /nfs/dbraw/zinc/53/55/53/377535553.db2.gz VPGFDEHYAXNFFU-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000565144081 377570663 /nfs/dbraw/zinc/57/06/63/377570663.db2.gz XDBBPTOQNDQFTL-HAQNSBGRSA-N -1 3 280.324 2.036 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]OC(C)C)c1 ZINC000295526925 378197317 /nfs/dbraw/zinc/19/73/17/378197317.db2.gz JETWENZUIHTSAI-UHFFFAOYSA-N -1 3 268.269 2.063 20 5 CEBDHM O=[N+]([O-])c1cc(F)ccc1NCc1ncccc1[O-] ZINC000359910890 155164107 /nfs/dbraw/zinc/16/41/07/155164107.db2.gz MAIOEQQIGIHQHQ-UHFFFAOYSA-N -1 3 263.228 2.447 20 5 CEBDHM CC(C)=CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000190251411 153119860 /nfs/dbraw/zinc/11/98/60/153119860.db2.gz FQLFYNYYLMEEDD-UHFFFAOYSA-N -1 3 298.364 2.456 20 5 CEBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000182110911 165362357 /nfs/dbraw/zinc/36/23/57/165362357.db2.gz DYRKIBPOHFUIMU-UHFFFAOYSA-N -1 3 272.260 2.230 20 5 CEBDHM CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048659610 175441603 /nfs/dbraw/zinc/44/16/03/175441603.db2.gz GAFSGRKQLWKGDO-ZETCQYMHSA-N -1 3 292.744 2.325 20 5 CEBDHM CCC[C@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000517750862 260115688 /nfs/dbraw/zinc/11/56/88/260115688.db2.gz TVZPIBICRLIZFQ-GFCCVEGCSA-N -1 3 266.297 2.280 20 5 CEBDHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416543971 280542831 /nfs/dbraw/zinc/54/28/31/280542831.db2.gz FOWNLSQVHXFQCN-STQMWFEESA-N -1 3 298.364 2.308 20 5 CEBDHM Cc1cc([N-]C(=O)COc2cc(F)cc([N+](=O)[O-])c2)on1 ZINC000446076070 281731182 /nfs/dbraw/zinc/73/11/82/281731182.db2.gz DONXRNLEGCLBFZ-UHFFFAOYSA-N -1 3 295.226 2.048 20 5 CEBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000132018141 300072756 /nfs/dbraw/zinc/07/27/56/300072756.db2.gz VQFBLEMAEWUKNW-UWVGGRQHSA-N -1 3 284.337 2.062 20 5 CEBDHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000397325744 329349874 /nfs/dbraw/zinc/34/98/74/329349874.db2.gz AERZKRXQYPCDSF-JQWIXIFHSA-N -1 3 278.308 2.280 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]CCC2(C)CC2)c([N+](=O)[O-])c1 ZINC000331846276 534209349 /nfs/dbraw/zinc/20/93/49/534209349.db2.gz LPMYNZHKKFWDAM-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM C[C@@H]1C[C@@H](C)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736227535 574778546 /nfs/dbraw/zinc/77/85/46/574778546.db2.gz LFRJDNBIYAGDLS-RKDXNWHRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736227535 574778547 /nfs/dbraw/zinc/77/85/47/574778547.db2.gz LFRJDNBIYAGDLS-RKDXNWHRSA-N -1 3 288.311 2.010 20 5 CEBDHM CCN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC000736565378 574792404 /nfs/dbraw/zinc/79/24/04/574792404.db2.gz UTWFSEXFRSVLMT-UHFFFAOYSA-N -1 3 276.300 2.010 20 5 CEBDHM CCN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC000736565378 574792405 /nfs/dbraw/zinc/79/24/05/574792405.db2.gz UTWFSEXFRSVLMT-UHFFFAOYSA-N -1 3 276.300 2.010 20 5 CEBDHM Cc1ccc(CN[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000740129445 574944306 /nfs/dbraw/zinc/94/43/06/574944306.db2.gz IERHGMYZYYWBBV-GFCCVEGCSA-N -1 3 293.323 2.135 20 5 CEBDHM C[C@@H](NCCN(C(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000825496882 603832682 /nfs/dbraw/zinc/83/26/82/603832682.db2.gz WOGMBFKKIRRYFN-SNVBAGLBSA-N -1 3 293.323 2.388 20 5 CEBDHM C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000848638868 642084201 /nfs/dbraw/zinc/08/42/01/642084201.db2.gz XCRVMWMIJFRCHC-ZETCQYMHSA-N -1 3 272.688 2.059 20 5 CEBDHM O=c1[n-]ccc(NCCC2SCCS2)c1[N+](=O)[O-] ZINC000693851331 803367288 /nfs/dbraw/zinc/36/72/88/803367288.db2.gz VLVFLITWMZLVRU-UHFFFAOYSA-N -1 3 287.366 2.304 20 5 CEBDHM Nc1ccc(NC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC001141765200 816585949 /nfs/dbraw/zinc/58/59/49/816585949.db2.gz HHFUJTPCMUCIMT-UHFFFAOYSA-N -1 3 273.248 2.135 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]C2CCCC2)c([N+](=O)[O-])s1 ZINC000601282901 346811983 /nfs/dbraw/zinc/81/19/83/346811983.db2.gz IRZUTPUTONZVTE-UHFFFAOYSA-N -1 3 290.366 2.186 20 5 CEBDHM COc1ccc(C(=O)[N-]c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000063447537 343677259 /nfs/dbraw/zinc/67/72/59/343677259.db2.gz MGNVLELIEOGVTI-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM O=C([O-])C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000054300332 362524572 /nfs/dbraw/zinc/52/45/72/362524572.db2.gz XCTFTNFYJDDPRE-LLVKDONJSA-N -1 3 278.308 2.282 20 5 CEBDHM O=C([O-])[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000591754760 345276908 /nfs/dbraw/zinc/27/69/08/345276908.db2.gz VBZQWXLYZARYQH-SCZZXKLOSA-N -1 3 282.271 2.077 20 5 CEBDHM O=C([O-])[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593753896 345533134 /nfs/dbraw/zinc/53/31/34/345533134.db2.gz BGBIPDVZMNCGKP-UONOGXRCSA-N -1 3 290.319 2.137 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000596200701 345967878 /nfs/dbraw/zinc/96/78/78/345967878.db2.gz RNLHNLPKNCHZEM-NSHDSACASA-N -1 3 293.323 2.091 20 5 CEBDHM CCc1noc(C)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596243836 345979024 /nfs/dbraw/zinc/97/90/24/345979024.db2.gz LAPNYCMPEFXEJQ-UHFFFAOYSA-N -1 3 278.268 2.166 20 5 CEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000596289016 345991887 /nfs/dbraw/zinc/99/18/87/345991887.db2.gz KDBVUTXALJBSRF-SNVBAGLBSA-N -1 3 293.323 2.233 20 5 CEBDHM O=c1[n-]ccc(N[C@H](C2CC2)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596291078 345992532 /nfs/dbraw/zinc/99/25/32/345992532.db2.gz FVAXQPDPGQNRFA-VXGBXAGGSA-N -1 3 293.323 2.455 20 5 CEBDHM O=c1[n-]ccc(NCC[C@@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000598637129 346389428 /nfs/dbraw/zinc/38/94/28/346389428.db2.gz JLOMKQONFUXSIV-ZCFIWIBFSA-N -1 3 259.212 2.153 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](O)C12CCCC2 ZINC000339245163 215038993 /nfs/dbraw/zinc/03/89/93/215038993.db2.gz FZWIDJNDCMWCQW-CQSZACIVSA-N -1 3 292.335 2.180 20 5 CEBDHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)ncn1 ZINC000610233836 347665804 /nfs/dbraw/zinc/66/58/04/347665804.db2.gz UTVWNRMQWFBOMH-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM COc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000616029410 348430797 /nfs/dbraw/zinc/43/07/97/348430797.db2.gz BVMFNEACMIIRKZ-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM COc1cc([O-])cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000357498521 233082783 /nfs/dbraw/zinc/08/27/83/233082783.db2.gz FWVCECRGOCUQMO-UHFFFAOYSA-N -1 3 278.220 2.154 20 5 CEBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451820354 283115952 /nfs/dbraw/zinc/11/59/52/283115952.db2.gz AJQVQNQDNGDJQP-MNOVXSKESA-N -1 3 298.364 2.228 20 5 CEBDHM C[C@@H]1CC[C@](CO)(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339100302 366653920 /nfs/dbraw/zinc/65/39/20/366653920.db2.gz KIEYBDWJPSZHPQ-ABAIWWIYSA-N -1 3 294.351 2.283 20 5 CEBDHM COCCc1ccnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000341880860 216137573 /nfs/dbraw/zinc/13/75/73/216137573.db2.gz XKTQNDLYAWPNLI-UHFFFAOYSA-N -1 3 291.263 2.024 20 5 CEBDHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000112707925 364832149 /nfs/dbraw/zinc/83/21/49/364832149.db2.gz XHSSIROYPXGTEI-SECBINFHSA-N -1 3 284.337 2.062 20 5 CEBDHM O=C(Nc1ccccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187539343 369175880 /nfs/dbraw/zinc/17/58/80/369175880.db2.gz RMBZLZSBQOEXIK-UHFFFAOYSA-N -1 3 277.211 2.087 20 5 CEBDHM COC(=O)c1cnc(SCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000187588921 369184258 /nfs/dbraw/zinc/18/42/58/369184258.db2.gz KOIICBZLIMSYDP-UHFFFAOYSA-N -1 3 293.304 2.397 20 5 CEBDHM COCc1nc(Sc2cc(C)ccc2[N+](=O)[O-])n[n-]1 ZINC000268467897 372111608 /nfs/dbraw/zinc/11/16/08/372111608.db2.gz GYCBHFAHJKTEFD-UHFFFAOYSA-N -1 3 280.309 2.319 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC(C)C ZINC000269655597 372521199 /nfs/dbraw/zinc/52/11/99/372521199.db2.gz FZJVTUNVNPXTAW-UHFFFAOYSA-N -1 3 283.284 2.313 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)C ZINC000269655597 372521207 /nfs/dbraw/zinc/52/12/07/372521207.db2.gz FZJVTUNVNPXTAW-UHFFFAOYSA-N -1 3 283.284 2.313 20 5 CEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Cl)c2F)n1 ZINC000344646074 217260196 /nfs/dbraw/zinc/26/01/96/217260196.db2.gz ZGCJQKBKAPCHHU-UHFFFAOYSA-N -1 3 298.661 2.373 20 5 CEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(CC)co2)c1[N+](=O)[O-] ZINC000559318289 376674135 /nfs/dbraw/zinc/67/41/35/376674135.db2.gz VAWUDNPXJPYAGP-UHFFFAOYSA-N -1 3 293.283 2.073 20 5 CEBDHM C[C@H](O)C[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330458863 377143493 /nfs/dbraw/zinc/14/34/93/377143493.db2.gz PPONLJADWWJCJV-WCQYABFASA-N -1 3 294.351 2.426 20 5 CEBDHM Cn1nc([N-]c2ccc([N+](=O)[O-])cn2)cc1C1CC1 ZINC000291267766 377149699 /nfs/dbraw/zinc/14/96/99/377149699.db2.gz ZNWNSAKGTZIPCX-UHFFFAOYSA-N -1 3 259.269 2.344 20 5 CEBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000187537913 284743438 /nfs/dbraw/zinc/74/34/38/284743438.db2.gz MZXGOOAMAQWVMT-UHFFFAOYSA-N -1 3 299.286 2.288 20 5 CEBDHM CCc1nn(C)c(NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000288880000 197184766 /nfs/dbraw/zinc/18/47/66/197184766.db2.gz MJFWMIBKPDVBDD-UHFFFAOYSA-N -1 3 294.286 2.348 20 5 CEBDHM CCN1C[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331352762 285461520 /nfs/dbraw/zinc/46/15/20/285461520.db2.gz ORYVHICERDYVPO-RYUDHWBXSA-N -1 3 293.367 2.215 20 5 CEBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NCCN2CCCCC2)c1 ZINC000211431804 394448361 /nfs/dbraw/zinc/44/83/61/394448361.db2.gz ZXYJINLJCGWPGD-UHFFFAOYSA-N -1 3 293.323 2.191 20 5 CEBDHM CC(C)C[C@H](CNCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263050168 154012444 /nfs/dbraw/zinc/01/24/44/154012444.db2.gz KRWPPVUENMZGBX-SNVBAGLBSA-N -1 3 286.353 2.493 20 5 CEBDHM O=C([N-]c1ccnc2ccncc12)c1ccc([N+](=O)[O-])o1 ZINC000427589434 260776149 /nfs/dbraw/zinc/77/61/49/260776149.db2.gz YWYFIXCIYUGNMH-UHFFFAOYSA-N -1 3 284.231 2.383 20 5 CEBDHM COc1cc(C(=O)[N-]c2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000195219290 270306832 /nfs/dbraw/zinc/30/68/32/270306832.db2.gz TXZKCMONEDVCJM-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM O=C([N-]c1cnns1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189557908 280151779 /nfs/dbraw/zinc/15/17/79/280151779.db2.gz CDDHBUVPBKRGDP-UHFFFAOYSA-N -1 3 284.684 2.352 20 5 CEBDHM C[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000211473259 280206967 /nfs/dbraw/zinc/20/69/67/280206967.db2.gz PACMWJBZUYSBLS-ONGXEEELSA-N -1 3 293.323 2.188 20 5 CEBDHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175686295 281068309 /nfs/dbraw/zinc/06/83/09/281068309.db2.gz FEBYIXWWTDOYQQ-GFCCVEGCSA-N -1 3 298.364 2.452 20 5 CEBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]OCc1cccnc1 ZINC000152670463 289095710 /nfs/dbraw/zinc/09/57/10/289095710.db2.gz MGNJUUSNWXOYSS-VMPITWQZSA-N -1 3 299.286 2.251 20 5 CEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cccc([O-])c1 ZINC000357260422 534471963 /nfs/dbraw/zinc/47/19/63/534471963.db2.gz WSPUSFQHUDKDEJ-UHFFFAOYSA-N -1 3 286.287 2.273 20 5 CEBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cncc([O-])c1 ZINC000732392616 574620145 /nfs/dbraw/zinc/62/01/45/574620145.db2.gz YICNYOTXHFIXHE-UHFFFAOYSA-N -1 3 292.222 2.192 20 5 CEBDHM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000235361443 625342364 /nfs/dbraw/zinc/34/23/64/625342364.db2.gz FEDNCALXQIJHPO-ZYHUDNBSSA-N -1 3 278.308 2.280 20 5 CEBDHM O=c1cc([C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)[n-][nH]1 ZINC000894373692 629404006 /nfs/dbraw/zinc/40/40/06/629404006.db2.gz XGZZRGPYXVNILE-QMMMGPOBSA-N -1 3 292.270 2.157 20 5 CEBDHM O=c1cc([C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894374199 629405047 /nfs/dbraw/zinc/40/50/47/629405047.db2.gz FXCNQOIMKOWVSL-SSDOTTSWSA-N -1 3 280.309 2.079 20 5 CEBDHM Cc1cnc([N-]c2cnn3c2NC[C@H](C)C3)c([N+](=O)[O-])c1 ZINC000894950727 629769173 /nfs/dbraw/zinc/76/91/73/629769173.db2.gz AWEOIUKSHAANHC-VIFPVBQESA-N -1 3 288.311 2.300 20 5 CEBDHM CC(C)(C)OC[C@H]1CCCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000895655928 630291061 /nfs/dbraw/zinc/29/10/61/630291061.db2.gz WJNQSQWMDPGZIT-SNVBAGLBSA-N -1 3 295.339 2.479 20 5 CEBDHM CCCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000825323178 635616023 /nfs/dbraw/zinc/61/60/23/635616023.db2.gz QCTIPXFTYYQSLK-UHFFFAOYSA-N -1 3 288.311 2.154 20 5 CEBDHM CCCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000825323178 635616025 /nfs/dbraw/zinc/61/60/25/635616025.db2.gz QCTIPXFTYYQSLK-UHFFFAOYSA-N -1 3 288.311 2.154 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000853091303 643649422 /nfs/dbraw/zinc/64/94/22/643649422.db2.gz OJSJAAWMGGYPJF-RXMQYKEDSA-N -1 3 278.095 2.301 20 5 CEBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccs1 ZINC000853365188 643756096 /nfs/dbraw/zinc/75/60/96/643756096.db2.gz PVELHJFAALGZCU-GFCCVEGCSA-N -1 3 295.320 2.077 20 5 CEBDHM Cc1noc(C)c1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853432634 643768653 /nfs/dbraw/zinc/76/86/53/643768653.db2.gz CCBUZHKOPDAHRC-UHFFFAOYSA-N -1 3 292.295 2.345 20 5 CEBDHM Cc1[n-]c(=O)cc(O[C@@H]2CC(F)(F)C2(F)F)c1[N+](=O)[O-] ZINC001228688456 806329229 /nfs/dbraw/zinc/32/92/29/806329229.db2.gz IXUNAQIPZVGNNY-ZCFIWIBFSA-N -1 3 296.176 2.426 20 5 CEBDHM CC1(C)CC[C@@H](COc2nccc([O-])c2[N+](=O)[O-])O1 ZINC001225662311 805102593 /nfs/dbraw/zinc/10/25/93/805102593.db2.gz SOMIHBDUDAOJNI-QMMMGPOBSA-N -1 3 268.269 2.032 20 5 CEBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c([O-])c1 ZINC001135566773 813465746 /nfs/dbraw/zinc/46/57/46/813465746.db2.gz VCDMEFZMSNIKDO-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM Cc1ncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1C ZINC001174504213 816030438 /nfs/dbraw/zinc/03/04/38/816030438.db2.gz YKBBDIHKAMZIFW-UHFFFAOYSA-N -1 3 276.252 2.079 20 5 CEBDHM CCc1cnc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])s1 ZINC000191642147 529663537 /nfs/dbraw/zinc/66/35/37/529663537.db2.gz RBTYWGCEZSWLKJ-UHFFFAOYSA-N -1 3 295.324 2.082 20 5 CEBDHM Cc1noc(C)c1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000063447586 343676997 /nfs/dbraw/zinc/67/69/97/343676997.db2.gz WNIIZQCGSORPOE-UHFFFAOYSA-N -1 3 261.237 2.452 20 5 CEBDHM O=C([N-]c1cc(Cl)ccn1)c1ccc([N+](=O)[O-])o1 ZINC000134631415 344375909 /nfs/dbraw/zinc/37/59/09/344375909.db2.gz MLPRVJILHOWTHE-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM CN(Cc1ccccc1[N+](=O)[O-])CC1(CC(=O)[O-])CC1 ZINC000593731742 345529845 /nfs/dbraw/zinc/52/98/45/345529845.db2.gz BAQHDCBYRAEKGX-UHFFFAOYSA-N -1 3 278.308 2.282 20 5 CEBDHM O=c1[n-]ccc(N2CCc3ccsc3C2)c1[N+](=O)[O-] ZINC000596178659 345961432 /nfs/dbraw/zinc/96/14/32/345961432.db2.gz KVQNLYOKVKSYHQ-UHFFFAOYSA-N -1 3 277.305 2.320 20 5 CEBDHM CN(CC1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596118253 345943429 /nfs/dbraw/zinc/94/34/29/345943429.db2.gz UTCBSUCESMVIJC-UHFFFAOYSA-N -1 3 251.286 2.322 20 5 CEBDHM C[C@@H]1C[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596193726 345966612 /nfs/dbraw/zinc/96/66/12/345966612.db2.gz NAQKOLZBUDLKQI-ZJUUUORDSA-N -1 3 281.312 2.313 20 5 CEBDHM O=C(c1ccc([N+](=O)[O-])o1)N1CCCc2cccc([O-])c21 ZINC000063063849 362747726 /nfs/dbraw/zinc/74/77/26/362747726.db2.gz YGTCTDBHKMPKMA-UHFFFAOYSA-N -1 3 288.259 2.486 20 5 CEBDHM O=[N+]([O-])c1cc(Cl)ccc1CSCCc1nnn[n-]1 ZINC000603341390 347344686 /nfs/dbraw/zinc/34/46/86/347344686.db2.gz ZQQHUSGOJNZMGZ-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM O=[N+]([O-])c1cc(Cl)ccc1CSCCc1nn[n-]n1 ZINC000603341390 347344688 /nfs/dbraw/zinc/34/46/88/347344688.db2.gz ZQQHUSGOJNZMGZ-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000339507824 215219612 /nfs/dbraw/zinc/21/96/12/215219612.db2.gz FYFPRDLFSZPBLG-TZMCWYRMSA-N -1 3 280.324 2.348 20 5 CEBDHM O=C(Nc1ccncc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000109891050 186278638 /nfs/dbraw/zinc/27/86/38/186278638.db2.gz GSJVVYHJJXGSAD-UHFFFAOYSA-N -1 3 265.250 2.009 20 5 CEBDHM Cn1cnc([N+](=O)[O-])c1Sc1cccc([O-])c1 ZINC000130412995 187491745 /nfs/dbraw/zinc/49/17/45/187491745.db2.gz SZYLCHKSKKNDBK-UHFFFAOYSA-N -1 3 251.267 2.185 20 5 CEBDHM CC/C=C/C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451782815 283104044 /nfs/dbraw/zinc/10/40/44/283104044.db2.gz ZFNIPCCRYJWONX-SNAWJCMRSA-N -1 3 290.366 2.209 20 5 CEBDHM COc1ccc(CN2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000079487380 363607406 /nfs/dbraw/zinc/60/74/06/363607406.db2.gz UJSFXPWESMXUPJ-AWEZNQCLSA-N -1 3 294.307 2.043 20 5 CEBDHM C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000578626242 366522909 /nfs/dbraw/zinc/52/29/09/366522909.db2.gz GJBBLZKHIWEMIB-MFKMUULPSA-N -1 3 278.308 2.137 20 5 CEBDHM Cc1cc(NC(=O)[N-]OCC2CC2)ccc1[N+](=O)[O-] ZINC000296893234 200027480 /nfs/dbraw/zinc/02/74/80/200027480.db2.gz RGXKXXITFGZFLH-UHFFFAOYSA-N -1 3 265.269 2.366 20 5 CEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC([O-])=NOC(C)(C)CO ZINC000297190186 200109950 /nfs/dbraw/zinc/10/99/50/200109950.db2.gz NHICOJBAAOBGRL-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[N-]OC(C)(C)CO ZINC000297190186 200109952 /nfs/dbraw/zinc/10/99/52/200109952.db2.gz NHICOJBAAOBGRL-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000339010437 366613080 /nfs/dbraw/zinc/61/30/80/366613080.db2.gz BNVMWZMLLXNBIA-RISCZKNCSA-N -1 3 292.335 2.301 20 5 CEBDHM C[C@H]1CC[C@](CO)(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339100304 366654158 /nfs/dbraw/zinc/65/41/58/366654158.db2.gz KIEYBDWJPSZHPQ-NHYWBVRUSA-N -1 3 294.351 2.283 20 5 CEBDHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187546644 369176788 /nfs/dbraw/zinc/17/67/88/369176788.db2.gz ACRGKFFKWKQEPS-UHFFFAOYSA-N -1 3 287.275 2.362 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CC(C)C2)c1[N+](=O)[O-] ZINC000276888844 374337061 /nfs/dbraw/zinc/33/70/61/374337061.db2.gz UCVVIHIOVYTVES-UHFFFAOYSA-N -1 3 298.364 2.288 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000332128713 377523578 /nfs/dbraw/zinc/52/35/78/377523578.db2.gz DIGUHELTCLZKAP-GHMZBOCLSA-N -1 3 298.364 2.146 20 5 CEBDHM O=C(c1ccccc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088252093 249303834 /nfs/dbraw/zinc/30/38/34/249303834.db2.gz MFGFKRATFBWIDM-UHFFFAOYSA-N -1 3 298.298 2.499 20 5 CEBDHM N[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000423747582 394974968 /nfs/dbraw/zinc/97/49/68/394974968.db2.gz SPSXYWQHIAOFJU-SNVBAGLBSA-N -1 3 299.714 2.020 20 5 CEBDHM COc1cc(CN2CCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000568064719 395545410 /nfs/dbraw/zinc/54/54/10/395545410.db2.gz NZXXCTPCYPZUIR-LLVKDONJSA-N -1 3 294.307 2.043 20 5 CEBDHM CC(C)C[C@@H](CNCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263050166 154010678 /nfs/dbraw/zinc/01/06/78/154010678.db2.gz KRWPPVUENMZGBX-JTQLQIEISA-N -1 3 286.353 2.493 20 5 CEBDHM C[C@H](CN(C)c1ccc(Cl)cc1[N+](=O)[O-])c1nnn[n-]1 ZINC000302783750 154191937 /nfs/dbraw/zinc/19/19/37/154191937.db2.gz UFFRDMVKQLGFOX-SSDOTTSWSA-N -1 3 296.718 2.001 20 5 CEBDHM C[C@H](CN(C)c1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000302783750 154191944 /nfs/dbraw/zinc/19/19/44/154191944.db2.gz UFFRDMVKQLGFOX-SSDOTTSWSA-N -1 3 296.718 2.001 20 5 CEBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000339086577 287040048 /nfs/dbraw/zinc/04/00/48/287040048.db2.gz RZVUUEZOBADYBV-MNOVXSKESA-N -1 3 280.324 2.205 20 5 CEBDHM Cc1sc(C(=O)[N-]c2nncn2C2CC2)cc1[N+](=O)[O-] ZINC000285568713 196328833 /nfs/dbraw/zinc/32/88/33/196328833.db2.gz AEXVEQYJTOLACH-UHFFFAOYSA-N -1 3 293.308 2.143 20 5 CEBDHM O=C(/C=C/c1cncc([O-])c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000179441779 260049459 /nfs/dbraw/zinc/04/94/59/260049459.db2.gz NFRDRNPTXQITIV-ZZXKWVIFSA-N -1 3 299.286 2.025 20 5 CEBDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152892839 288231931 /nfs/dbraw/zinc/23/19/31/288231931.db2.gz HJXUTIUATQRZLU-WDEREUQCSA-N -1 3 298.364 2.452 20 5 CEBDHM Cc1cnccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000107288230 281669404 /nfs/dbraw/zinc/66/94/04/281669404.db2.gz RWYNBDVYVKAIEI-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000397492191 329357117 /nfs/dbraw/zinc/35/71/17/329357117.db2.gz MQVLUBIEGNQLGY-CMPLNLGQSA-N -1 3 278.308 2.280 20 5 CEBDHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000397492198 329357263 /nfs/dbraw/zinc/35/72/63/329357263.db2.gz MQVLUBIEGNQLGY-ZYHUDNBSSA-N -1 3 278.308 2.280 20 5 CEBDHM CN(C)CCSc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830613655 601611716 /nfs/dbraw/zinc/61/17/16/601611716.db2.gz DUWUAYFFGQRKJZ-XQRVVYSFSA-N -1 3 296.348 2.346 20 5 CEBDHM C[C@](CNC(=O)[O-])(NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000824952161 604342556 /nfs/dbraw/zinc/34/25/56/604342556.db2.gz LALCQECHIVLPHZ-CQSZACIVSA-N -1 3 293.323 2.121 20 5 CEBDHM CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821040891 606419728 /nfs/dbraw/zinc/41/97/28/606419728.db2.gz UUGXIAAECQACCR-UFBFGSQYSA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821040891 606419730 /nfs/dbraw/zinc/41/97/30/606419730.db2.gz UUGXIAAECQACCR-UFBFGSQYSA-N -1 3 288.311 2.375 20 5 CEBDHM Cc1cc(Cl)ccc1OC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000794825233 629330942 /nfs/dbraw/zinc/33/09/42/629330942.db2.gz ZTJOCPVRNAQIHS-UHFFFAOYSA-N -1 3 281.655 2.499 20 5 CEBDHM COc1c([O-])ccc(CN[C@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000894518804 629508890 /nfs/dbraw/zinc/50/88/90/629508890.db2.gz OKKMZLMURGGGMQ-ZCFIWIBFSA-N -1 3 294.229 2.349 20 5 CEBDHM Cc1c(C(=O)[N-]c2ccon2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920967931 641213423 /nfs/dbraw/zinc/21/34/23/641213423.db2.gz VRPCMYKECQQADN-UHFFFAOYSA-N -1 3 292.207 2.052 20 5 CEBDHM CC(C)(C)c1ccc([N+](=O)[O-])cc1[N-]S(C)(=O)=O ZINC000872007278 649239768 /nfs/dbraw/zinc/23/97/68/649239768.db2.gz NNERZIBRKTXERB-UHFFFAOYSA-N -1 3 272.326 2.264 20 5 CEBDHM O=C([O-])C1CC(NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000874056457 649744019 /nfs/dbraw/zinc/74/40/19/649744019.db2.gz SKXGFYCBGVSABM-UHFFFAOYSA-N -1 3 284.699 2.201 20 5 CEBDHM Cc1ccc(Nc2cc([O-])cc(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC001214175625 806496914 /nfs/dbraw/zinc/49/69/14/806496914.db2.gz FDIZBJJIDGCUMP-UHFFFAOYSA-N -1 3 287.275 2.451 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]CCC2CC2)c([N+](=O)[O-])s1 ZINC000601358317 346827050 /nfs/dbraw/zinc/82/70/50/346827050.db2.gz NRWFRUVKHQJSIL-UHFFFAOYSA-N -1 3 290.366 2.043 20 5 CEBDHM O=C([O-])CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000037593548 361908307 /nfs/dbraw/zinc/90/83/07/361908307.db2.gz QWBPLWWBPGFHCK-UHFFFAOYSA-N -1 3 264.281 2.034 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccsc2C)n1 ZINC000601823899 346911605 /nfs/dbraw/zinc/91/16/05/346911605.db2.gz FKRIVNMHCWOBCY-UHFFFAOYSA-N -1 3 280.309 2.433 20 5 CEBDHM Cc1c(CN(C)C[C@@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000042707473 362113271 /nfs/dbraw/zinc/11/32/71/362113271.db2.gz KWACKDURGARLCY-SECBINFHSA-N -1 3 266.297 2.056 20 5 CEBDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592949853 345416313 /nfs/dbraw/zinc/41/63/13/345416313.db2.gz IVDVRPAWIRBXGL-UHFFFAOYSA-N -1 3 288.307 2.424 20 5 CEBDHM CC(C)n1cnc([N-]C(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000593229459 345455758 /nfs/dbraw/zinc/45/57/58/345455758.db2.gz HOJNFNFDAKZIII-UHFFFAOYSA-N -1 3 275.268 2.020 20 5 CEBDHM CSC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596214330 345971250 /nfs/dbraw/zinc/97/12/50/345971250.db2.gz AHNVETWDKTWVHE-UHFFFAOYSA-N -1 3 269.326 2.393 20 5 CEBDHM O=c1[n-]ccc(NCC2(C(F)F)CC2)c1[N+](=O)[O-] ZINC000596222676 345973885 /nfs/dbraw/zinc/97/38/85/345973885.db2.gz MELTUNAWRYFYKY-UHFFFAOYSA-N -1 3 259.212 2.153 20 5 CEBDHM O=c1[n-]ccc(NC[C@H](CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000596242895 345979052 /nfs/dbraw/zinc/97/90/52/345979052.db2.gz CTWKZEHOGLNTBD-LLVKDONJSA-N -1 3 295.339 2.296 20 5 CEBDHM CC[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596276920 345989557 /nfs/dbraw/zinc/98/95/57/345989557.db2.gz GZCULJRDKUXDMW-DTWKUNHWSA-N -1 3 267.285 2.065 20 5 CEBDHM CC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596276921 345989616 /nfs/dbraw/zinc/98/96/16/345989616.db2.gz GZCULJRDKUXDMW-IUCAKERBSA-N -1 3 267.285 2.065 20 5 CEBDHM O=C1CCCC12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596509520 346041955 /nfs/dbraw/zinc/04/19/55/346041955.db2.gz SITYZVPDXPWIHH-UHFFFAOYSA-N -1 3 291.307 2.035 20 5 CEBDHM CC1(C)[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1(F)F ZINC000596512660 346043023 /nfs/dbraw/zinc/04/30/23/346043023.db2.gz JHVVRWMXVRFWGE-ZETCQYMHSA-N -1 3 273.239 2.399 20 5 CEBDHM COc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000339217906 215019501 /nfs/dbraw/zinc/01/95/01/215019501.db2.gz MBVCDISSMNOSDI-UHFFFAOYSA-N -1 3 285.306 2.374 20 5 CEBDHM CC1(C)C[C@@H](Sc2cc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC000599125903 346463912 /nfs/dbraw/zinc/46/39/12/346463912.db2.gz UHAOBELLNBNDLX-SSDOTTSWSA-N -1 3 270.310 2.355 20 5 CEBDHM O=C([N-]c1cnoc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000611205778 347751380 /nfs/dbraw/zinc/75/13/80/347751380.db2.gz REQIEVZKHFMYJT-UHFFFAOYSA-N -1 3 299.246 2.021 20 5 CEBDHM C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C(=O)[O-] ZINC000336849459 365926061 /nfs/dbraw/zinc/92/60/61/365926061.db2.gz ROAPGAZSDROJFK-TVQRCGJNSA-N -1 3 296.298 2.419 20 5 CEBDHM C[C@@H](CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000086807963 179339192 /nfs/dbraw/zinc/33/91/92/179339192.db2.gz SEVBJURILQFVLQ-UWVGGRQHSA-N -1 3 266.297 2.308 20 5 CEBDHM COC1([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000412027513 233315609 /nfs/dbraw/zinc/31/56/09/233315609.db2.gz VPNXEGNNRKYDKU-JTQLQIEISA-N -1 3 280.324 2.348 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000122867824 187056595 /nfs/dbraw/zinc/05/65/95/187056595.db2.gz UQDCUQVVCJGLTG-LURJTMIESA-N -1 3 290.366 2.042 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CO)C1CCCCC1 ZINC000579381020 366639121 /nfs/dbraw/zinc/63/91/21/366639121.db2.gz RIJYXYHMSIDSEC-CQSZACIVSA-N -1 3 294.351 2.331 20 5 CEBDHM CC(C)(C)[C@H](CCO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339074761 366642364 /nfs/dbraw/zinc/64/23/64/366642364.db2.gz HMRRNTMVDKZXLH-ZDUSSCGKSA-N -1 3 282.340 2.187 20 5 CEBDHM CCc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc(C)n1 ZINC000174227052 367999532 /nfs/dbraw/zinc/99/95/32/367999532.db2.gz BABYRNAZGGOQCU-UHFFFAOYSA-N -1 3 276.252 2.101 20 5 CEBDHM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000331933254 204308647 /nfs/dbraw/zinc/30/86/47/204308647.db2.gz HHWXGSJKRCGKOP-NSHDSACASA-N -1 3 264.281 2.171 20 5 CEBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]O[C@H]1CCCCO1 ZINC000255033173 371550025 /nfs/dbraw/zinc/55/00/25/371550025.db2.gz RLHAGJQVWUBQAA-DANTVBBOSA-N -1 3 292.291 2.182 20 5 CEBDHM CC(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000361653854 372005709 /nfs/dbraw/zinc/00/57/09/372005709.db2.gz JIPHSUQLDXBRAI-YFKPBYRVSA-N -1 3 278.186 2.437 20 5 CEBDHM CSCCON=C([O-])Nc1ccc([N+](=O)[O-])cc1 ZINC000280630646 375266589 /nfs/dbraw/zinc/26/65/89/375266589.db2.gz XIQHJKITIZCYHG-UHFFFAOYSA-N -1 3 271.298 2.011 20 5 CEBDHM CSCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000280630646 375266592 /nfs/dbraw/zinc/26/65/92/375266592.db2.gz XIQHJKITIZCYHG-UHFFFAOYSA-N -1 3 271.298 2.011 20 5 CEBDHM NC1(c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)CCCC1 ZINC000414612769 375876696 /nfs/dbraw/zinc/87/66/96/375876696.db2.gz FBEYXOJRCPANMX-UHFFFAOYSA-N -1 3 290.279 2.078 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000293778407 377752890 /nfs/dbraw/zinc/75/28/90/377752890.db2.gz NMXUGGLJJXZLFP-BQYQJAHWSA-N -1 3 262.265 2.066 20 5 CEBDHM CC(C)O[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295555419 378208971 /nfs/dbraw/zinc/20/89/71/378208971.db2.gz MFJTUFSOAXSSDA-UHFFFAOYSA-N -1 3 280.280 2.014 20 5 CEBDHM C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000300425037 379174343 /nfs/dbraw/zinc/17/43/43/379174343.db2.gz PJBSTHPKBGDIDV-ZWNOBZJWSA-N -1 3 278.308 2.280 20 5 CEBDHM COCCCO[N-]C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000289187501 395071700 /nfs/dbraw/zinc/07/17/00/395071700.db2.gz ZDXBUDIDGIKEMV-UHFFFAOYSA-N -1 3 297.311 2.301 20 5 CEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2ncccc2[O-])n1 ZINC000359897872 155161200 /nfs/dbraw/zinc/16/12/00/155161200.db2.gz JIVMWSUUHHZZIA-UHFFFAOYSA-N -1 3 274.280 2.319 20 5 CEBDHM Cc1cc([N+](=O)[O-])cnc1NCc1ncccc1[O-] ZINC000359910163 155164497 /nfs/dbraw/zinc/16/44/97/155164497.db2.gz ZQVWCRJLYJNWKQ-UHFFFAOYSA-N -1 3 260.253 2.011 20 5 CEBDHM Cc1ccc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263102897 154019113 /nfs/dbraw/zinc/01/91/13/154019113.db2.gz XDVVAJGQCFIXNW-MFKMUULPSA-N -1 3 292.335 2.446 20 5 CEBDHM CC1(C)CC(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000548046401 298388712 /nfs/dbraw/zinc/38/87/12/298388712.db2.gz INTDFVWTLULQMB-UHFFFAOYSA-N -1 3 298.364 2.309 20 5 CEBDHM Cc1cccc([O-])c1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000179548667 165284554 /nfs/dbraw/zinc/28/45/54/165284554.db2.gz OIFJWSQAWUULNI-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000330410292 263931653 /nfs/dbraw/zinc/93/16/53/263931653.db2.gz KTRMYXSVHGWZAH-JTQLQIEISA-N -1 3 286.353 2.226 20 5 CEBDHM O=C([N-]c1cnns1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000191301307 280168440 /nfs/dbraw/zinc/16/84/40/280168440.db2.gz KEWWNPVVFKPIRZ-UHFFFAOYSA-N -1 3 284.684 2.352 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]C2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000531856879 313331824 /nfs/dbraw/zinc/33/18/24/313331824.db2.gz FRVZFKBCMPJNDD-UHFFFAOYSA-N -1 3 296.348 2.124 20 5 CEBDHM CCC[C@@H](C)[C@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000570336076 314034038 /nfs/dbraw/zinc/03/40/38/314034038.db2.gz SFDWCIZYCMGHNW-MFKMUULPSA-N -1 3 282.340 2.187 20 5 CEBDHM C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC000576950082 314326405 /nfs/dbraw/zinc/32/64/05/314326405.db2.gz CEYHBTHQJYJYHP-YGRLFVJLSA-N -1 3 278.308 2.137 20 5 CEBDHM Cc1c(C(=O)N=c2cc3ccccn3[n-]2)cccc1[N+](=O)[O-] ZINC000561153581 327370001 /nfs/dbraw/zinc/37/00/01/327370001.db2.gz JNTFROCWIZVZOR-UHFFFAOYSA-N -1 3 296.286 2.225 20 5 CEBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OC1CCC1 ZINC000493022729 501039397 /nfs/dbraw/zinc/03/93/97/501039397.db2.gz OGMQLVWGWSXEKF-FPLPWBNLSA-N -1 3 262.265 2.208 20 5 CEBDHM O=C1[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])cc2F)S1 ZINC000874929212 649871404 /nfs/dbraw/zinc/87/14/04/649871404.db2.gz WNGPCAHOVRBUFY-BAQGIRSFSA-N -1 3 268.225 2.058 20 5 CEBDHM C[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736225378 574778755 /nfs/dbraw/zinc/77/87/55/574778755.db2.gz CCTYUHKTQHZGJJ-IUCAKERBSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736225378 574778756 /nfs/dbraw/zinc/77/87/56/574778756.db2.gz CCTYUHKTQHZGJJ-IUCAKERBSA-N -1 3 288.311 2.010 20 5 CEBDHM CC(C)[C@](C)(CNC(=O)[O-])NCc1ccccc1[N+](=O)[O-] ZINC000738769012 574877553 /nfs/dbraw/zinc/87/75/53/574877553.db2.gz DMDUDHBJCSABOC-AWEZNQCLSA-N -1 3 295.339 2.367 20 5 CEBDHM CCCCCSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825276552 608413039 /nfs/dbraw/zinc/41/30/39/608413039.db2.gz ZXNQDJCLRQKBLY-UHFFFAOYSA-N -1 3 294.340 2.452 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000884681963 652967480 /nfs/dbraw/zinc/96/74/80/652967480.db2.gz KZZLXPYRLPDLJH-SNVBAGLBSA-N -1 3 293.323 2.457 20 5 CEBDHM Cc1ccc(Nc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC001213665658 803237789 /nfs/dbraw/zinc/23/77/89/803237789.db2.gz DYDZTQIDNNWFEY-UHFFFAOYSA-N -1 3 260.253 2.451 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CC[C@H](C3CC3)O2)c1[N+](=O)[O-] ZINC000722321529 804284265 /nfs/dbraw/zinc/28/42/65/804284265.db2.gz MWABGTIVENMQRO-MWLCHTKSSA-N -1 3 279.296 2.065 20 5 CEBDHM Cc1cc(C(=O)[N-]c2nncs2)cc([N+](=O)[O-])c1 ZINC000049158931 362343127 /nfs/dbraw/zinc/34/31/27/362343127.db2.gz ZWNHIFLCHKXRRL-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000132714925 344364947 /nfs/dbraw/zinc/36/49/47/344364947.db2.gz JTBWFJDDORJLPE-UHFFFAOYSA-N -1 3 296.279 2.431 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]12C[C@@H]1CCC2 ZINC000594806554 345688236 /nfs/dbraw/zinc/68/82/36/345688236.db2.gz ZDGQAVDWAMGKNJ-GWCFXTLKSA-N -1 3 296.348 2.124 20 5 CEBDHM CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)C(=O)[O-] ZINC000595882601 345905259 /nfs/dbraw/zinc/90/52/59/345905259.db2.gz MREGGXHNGXOCJV-MRVPVSSYSA-N -1 3 270.260 2.029 20 5 CEBDHM Cc1nc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])sc1C ZINC000596162813 345956825 /nfs/dbraw/zinc/95/68/25/345956825.db2.gz POTHTMSDCHQFKS-UHFFFAOYSA-N -1 3 294.336 2.423 20 5 CEBDHM O=c1[n-]ccc(NCCOC2CCCCC2)c1[N+](=O)[O-] ZINC000596084712 345936069 /nfs/dbraw/zinc/93/60/69/345936069.db2.gz KWSMOUUPRRPYRV-UHFFFAOYSA-N -1 3 281.312 2.457 20 5 CEBDHM CC(C)CC[C@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596145345 345950819 /nfs/dbraw/zinc/95/08/19/345950819.db2.gz KUMUSJJOINYKGI-ZDUSSCGKSA-N -1 3 283.328 2.295 20 5 CEBDHM O=c1[n-]ccc(NCCCO[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596218174 345972967 /nfs/dbraw/zinc/97/29/67/345972967.db2.gz WMCCTYMXPVPCIW-NSHDSACASA-N -1 3 297.311 2.041 20 5 CEBDHM CC(C)OC(=O)CC[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596226907 345974639 /nfs/dbraw/zinc/97/46/39/345974639.db2.gz ZWYYTFWJZDZTHR-SECBINFHSA-N -1 3 297.311 2.228 20 5 CEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCC1(F)F ZINC000596236839 345976733 /nfs/dbraw/zinc/97/67/33/345976733.db2.gz MROPIPYAZIHYFE-ZETCQYMHSA-N -1 3 273.239 2.177 20 5 CEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000599000368 346444841 /nfs/dbraw/zinc/44/48/41/346444841.db2.gz SFGBNBZZARGAEO-RZGXBDKHSA-N -1 3 280.324 2.202 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCCc1nnn[n-]1 ZINC000603337230 347342948 /nfs/dbraw/zinc/34/29/48/347342948.db2.gz CVBCKXRHUGZTTE-SECBINFHSA-N -1 3 293.352 2.453 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCCc1nn[n-]n1 ZINC000603337230 347342950 /nfs/dbraw/zinc/34/29/50/347342950.db2.gz CVBCKXRHUGZTTE-SECBINFHSA-N -1 3 293.352 2.453 20 5 CEBDHM COCc1nnc(Sc2sccc2[N+](=O)[O-])[n-]1 ZINC000611413591 347776574 /nfs/dbraw/zinc/77/65/74/347776574.db2.gz GOKUGQXAZJVNJA-UHFFFAOYSA-N -1 3 272.311 2.072 20 5 CEBDHM COCc1nc(Sc2sccc2[N+](=O)[O-])n[n-]1 ZINC000611413591 347776578 /nfs/dbraw/zinc/77/65/78/347776578.db2.gz GOKUGQXAZJVNJA-UHFFFAOYSA-N -1 3 272.311 2.072 20 5 CEBDHM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000339507818 215219717 /nfs/dbraw/zinc/21/97/17/215219717.db2.gz FYFPRDLFSZPBLG-JSGCOSHPSA-N -1 3 280.324 2.348 20 5 CEBDHM CCCN(CC(=O)[O-])[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000086776081 283115151 /nfs/dbraw/zinc/11/51/51/283115151.db2.gz GADKOZNYAVRAJZ-JTQLQIEISA-N -1 3 266.297 2.452 20 5 CEBDHM CCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000081231747 363707921 /nfs/dbraw/zinc/70/79/21/363707921.db2.gz NCHZNCJHMQDILU-UHFFFAOYSA-N -1 3 267.266 2.459 20 5 CEBDHM COc1cc(CN[C@H]2CCC[C@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000339583239 366708748 /nfs/dbraw/zinc/70/87/48/366708748.db2.gz HMEBOMFIRAJTSM-ZJUUUORDSA-N -1 3 284.287 2.289 20 5 CEBDHM O=C([N-]c1nc2ccsc2s1)c1c[nH]nc1[N+](=O)[O-] ZINC000579736966 366698010 /nfs/dbraw/zinc/69/80/10/366698010.db2.gz UPAPTCLYGGEQSX-UHFFFAOYSA-N -1 3 295.305 2.241 20 5 CEBDHM COc1cc([N-]c2ncc([N+](=O)[O-])cn2)cc(OC)c1 ZINC000302139755 201361751 /nfs/dbraw/zinc/36/17/51/201361751.db2.gz DHABPARKIPRZRK-UHFFFAOYSA-N -1 3 276.252 2.146 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)[O-])C1 ZINC000086790329 363838444 /nfs/dbraw/zinc/83/84/44/363838444.db2.gz WUFCKYWDSUJLGA-ZJUUUORDSA-N -1 3 264.281 2.062 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)[O-])CC1 ZINC000086727762 363838488 /nfs/dbraw/zinc/83/84/88/363838488.db2.gz RYVFDKQTXQCSKF-JTQLQIEISA-N -1 3 278.308 2.452 20 5 CEBDHM CN(C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340720502 367001363 /nfs/dbraw/zinc/00/13/63/367001363.db2.gz PJTYFESQNLCAQE-UHFFFAOYSA-N -1 3 288.307 2.237 20 5 CEBDHM Cc1ncc(CNc2ncc([N+](=O)[O-])cc2Cl)c(=O)[n-]1 ZINC000343595305 367906394 /nfs/dbraw/zinc/90/63/94/367906394.db2.gz GIOYHNDTMCRYSB-UHFFFAOYSA-N -1 3 295.686 2.059 20 5 CEBDHM COc1nn(C)cc1[N-]c1c(F)cc([N+](=O)[O-])cc1F ZINC000352583420 369796257 /nfs/dbraw/zinc/79/62/57/369796257.db2.gz KUVFUOVMZNVPPJ-UHFFFAOYSA-N -1 3 284.222 2.359 20 5 CEBDHM C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000235323113 370560810 /nfs/dbraw/zinc/56/08/10/370560810.db2.gz PJBSTHPKBGDIDV-MFKMUULPSA-N -1 3 278.308 2.280 20 5 CEBDHM Cc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000344180569 217087016 /nfs/dbraw/zinc/08/70/16/217087016.db2.gz PXEIVOBIXKMMBR-UHFFFAOYSA-N -1 3 282.256 2.146 20 5 CEBDHM Cc1ccc([N-]S(=O)(=O)CCCCF)cc1[N+](=O)[O-] ZINC000288663658 197140549 /nfs/dbraw/zinc/14/05/49/197140549.db2.gz VMGVFUFPBPFVRI-UHFFFAOYSA-N -1 3 290.316 2.395 20 5 CEBDHM Cc1ccnc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC000359907397 155164013 /nfs/dbraw/zinc/16/40/13/155164013.db2.gz WFQFAWAXSCMSMG-UHFFFAOYSA-N -1 3 260.253 2.011 20 5 CEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1 ZINC000182169292 165366888 /nfs/dbraw/zinc/36/68/88/165366888.db2.gz QZXAUMJSCXROBM-UHFFFAOYSA-N -1 3 286.287 2.273 20 5 CEBDHM C[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000211473174 280206927 /nfs/dbraw/zinc/20/69/27/280206927.db2.gz PACMWJBZUYSBLS-KOLCDFICSA-N -1 3 293.323 2.188 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nocc1C ZINC000154602947 289150711 /nfs/dbraw/zinc/15/07/11/289150711.db2.gz XVJJMWIMULIEBA-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCC(=O)[O-] ZINC000086774929 290266816 /nfs/dbraw/zinc/26/68/16/290266816.db2.gz RTVPIXMFPBHIHN-SECBINFHSA-N -1 3 252.270 2.062 20 5 CEBDHM CO[C@@H]1[C@@H](C)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000345706177 293999322 /nfs/dbraw/zinc/99/93/22/293999322.db2.gz LLAXXYOHMLGODO-QCZZGDTMSA-N -1 3 294.351 2.450 20 5 CEBDHM COc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)on1 ZINC000182883943 321702731 /nfs/dbraw/zinc/70/27/31/321702731.db2.gz GQGCDOAYVJQYCY-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM C[C@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736261964 574780459 /nfs/dbraw/zinc/78/04/59/574780459.db2.gz LTNTVQINTZFDHD-WPRPVWTQSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736261964 574780460 /nfs/dbraw/zinc/78/04/60/574780460.db2.gz LTNTVQINTZFDHD-WPRPVWTQSA-N -1 3 288.311 2.375 20 5 CEBDHM CC[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736323079 574783019 /nfs/dbraw/zinc/78/30/19/574783019.db2.gz TYLJWPKVZNONAZ-SECBINFHSA-N -1 3 290.327 2.257 20 5 CEBDHM CC[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736323079 574783020 /nfs/dbraw/zinc/78/30/20/574783020.db2.gz TYLJWPKVZNONAZ-SECBINFHSA-N -1 3 290.327 2.257 20 5 CEBDHM CN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)CNC(=O)[O-] ZINC000828381790 603544667 /nfs/dbraw/zinc/54/46/67/603544667.db2.gz ALNNRZMQZQBRKR-UHFFFAOYSA-N -1 3 295.339 2.320 20 5 CEBDHM CCC[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821039587 606419655 /nfs/dbraw/zinc/41/96/55/606419655.db2.gz DVXWOOFRRJSGDR-LDYMZIIASA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821039587 606419657 /nfs/dbraw/zinc/41/96/57/606419657.db2.gz DVXWOOFRRJSGDR-LDYMZIIASA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821040889 606420082 /nfs/dbraw/zinc/42/00/82/606420082.db2.gz UUGXIAAECQACCR-PRHODGIISA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821040889 606420083 /nfs/dbraw/zinc/42/00/83/606420083.db2.gz UUGXIAAECQACCR-PRHODGIISA-N -1 3 288.311 2.375 20 5 CEBDHM COc1c([O-])ccc(CN(C)CC(F)F)c1[N+](=O)[O-] ZINC000891812054 623989019 /nfs/dbraw/zinc/98/90/19/623989019.db2.gz KVAMEVKFDUJYNX-UHFFFAOYSA-N -1 3 276.239 2.006 20 5 CEBDHM COc1c([O-])ccc(CN[C@@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000894518803 629509060 /nfs/dbraw/zinc/50/90/60/629509060.db2.gz OKKMZLMURGGGMQ-LURJTMIESA-N -1 3 294.229 2.349 20 5 CEBDHM COC(C)(C)[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000922582067 643141741 /nfs/dbraw/zinc/14/17/41/643141741.db2.gz SLGIZNARGOFBMY-SECBINFHSA-N -1 3 268.313 2.204 20 5 CEBDHM CCN(CC)C(=S)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853085256 643645994 /nfs/dbraw/zinc/64/59/94/643645994.db2.gz IGZYNNHFXUHZCG-UHFFFAOYSA-N -1 3 287.366 2.414 20 5 CEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cccc2nn[n-]c21 ZINC000790075463 648378896 /nfs/dbraw/zinc/37/88/96/648378896.db2.gz XFNUBEWIAPUMGN-UHFFFAOYSA-N -1 3 298.258 2.223 20 5 CEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cccc2[n-]nnc21 ZINC000790075463 648378903 /nfs/dbraw/zinc/37/89/03/648378903.db2.gz XFNUBEWIAPUMGN-UHFFFAOYSA-N -1 3 298.258 2.223 20 5 CEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cccc2n[n-]nc21 ZINC000790075463 648378906 /nfs/dbraw/zinc/37/89/06/648378906.db2.gz XFNUBEWIAPUMGN-UHFFFAOYSA-N -1 3 298.258 2.223 20 5 CEBDHM C[C@H](CC(=O)OC(C)(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001118524598 815022174 /nfs/dbraw/zinc/02/21/74/815022174.db2.gz FVWSALOKVAASML-MRVPVSSYSA-N -1 3 297.311 2.228 20 5 CEBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3CCOC3)nc2cc1Cl ZINC001233498439 807410053 /nfs/dbraw/zinc/41/00/53/807410053.db2.gz LVGVEUZUMBXHBA-ZCFIWIBFSA-N -1 3 283.671 2.292 20 5 CEBDHM O=[N+]([O-])c1ccc(Cl)nc1NCc1ncccc1[O-] ZINC001169731576 811649591 /nfs/dbraw/zinc/64/95/91/811649591.db2.gz AXQQDNCERACUFA-UHFFFAOYSA-N -1 3 280.671 2.356 20 5 CEBDHM Cc1c(CN2CCC[C@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000042163511 362064051 /nfs/dbraw/zinc/06/40/51/362064051.db2.gz JYVSIWJKAJLCKK-LBPRGKRZSA-N -1 3 278.308 2.342 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000076308595 343887941 /nfs/dbraw/zinc/88/79/41/343887941.db2.gz GLYDIZQUINKSOO-NSHDSACASA-N -1 3 296.348 2.290 20 5 CEBDHM C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000229307039 344565559 /nfs/dbraw/zinc/56/55/59/344565559.db2.gz CGHUGFUOYVFUPS-ZWNOBZJWSA-N -1 3 278.308 2.280 20 5 CEBDHM C[C@@H](C(=O)[O-])[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593730123 345528800 /nfs/dbraw/zinc/52/88/00/345528800.db2.gz KRANCLWNJAYXAF-UTLUCORTSA-N -1 3 266.297 2.355 20 5 CEBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594857505 345692097 /nfs/dbraw/zinc/69/20/97/345692097.db2.gz IOJYHLCUMJVJGX-JTQLQIEISA-N -1 3 284.337 2.062 20 5 CEBDHM C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695392 345851450 /nfs/dbraw/zinc/85/14/50/345851450.db2.gz HFCHMWJTTLRRMD-SMDDNHRTSA-N -1 3 294.351 2.283 20 5 CEBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596177652 345960765 /nfs/dbraw/zinc/96/07/65/345960765.db2.gz NQPVNBMCVQCGFW-BDAKNGLRSA-N -1 3 251.286 2.178 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000596085507 345936643 /nfs/dbraw/zinc/93/66/43/345936643.db2.gz IVRASOLRJAJQGM-LLVKDONJSA-N -1 3 286.291 2.432 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H](O)C2CCCCC2)c1[N+](=O)[O-] ZINC000596108832 345941349 /nfs/dbraw/zinc/94/13/49/345941349.db2.gz QVIQDAJYXZIWLF-LLVKDONJSA-N -1 3 281.312 2.049 20 5 CEBDHM CCOC1CC(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596205680 345968898 /nfs/dbraw/zinc/96/88/98/345968898.db2.gz FRULLTXDUVIYRX-UHFFFAOYSA-N -1 3 281.312 2.313 20 5 CEBDHM CO[C@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596217336 345972102 /nfs/dbraw/zinc/97/21/02/345972102.db2.gz JPOWWLNAVOIPFN-CYBMUJFWSA-N -1 3 281.312 2.091 20 5 CEBDHM CCc1nc(C)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596241102 345977885 /nfs/dbraw/zinc/97/78/85/345977885.db2.gz CLTOZXDYTKCFCL-UHFFFAOYSA-N -1 3 278.268 2.166 20 5 CEBDHM O=c1[n-]ccc(NCCCc2ccco2)c1[N+](=O)[O-] ZINC000596541459 346049998 /nfs/dbraw/zinc/04/99/98/346049998.db2.gz MWWVKNLCUARZKP-UHFFFAOYSA-N -1 3 263.253 2.333 20 5 CEBDHM CC(C)CCn1ccc([N-]c2cccnc2[N+](=O)[O-])n1 ZINC000611539471 347793032 /nfs/dbraw/zinc/79/30/32/347793032.db2.gz KQKUDYWLTSCYIB-UHFFFAOYSA-N -1 3 275.312 2.398 20 5 CEBDHM O=[N+]([O-])c1cnc([N-]c2cnn(-c3ccncc3)c2)s1 ZINC000619695493 349219347 /nfs/dbraw/zinc/21/93/47/349219347.db2.gz RMEJXGCUWBJIOX-UHFFFAOYSA-N -1 3 288.292 2.376 20 5 CEBDHM CCC(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122694074 187045893 /nfs/dbraw/zinc/04/58/93/187045893.db2.gz MJBGBNSWDMSIOZ-UHFFFAOYSA-N -1 3 292.382 2.432 20 5 CEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119236322 365239859 /nfs/dbraw/zinc/23/98/59/365239859.db2.gz NFIKZYDULKTOLY-SECBINFHSA-N -1 3 286.353 2.288 20 5 CEBDHM Cc1ncc(CNc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000343598918 367907721 /nfs/dbraw/zinc/90/77/21/367907721.db2.gz IOCBZRLSUWTQKG-UHFFFAOYSA-N -1 3 260.253 2.011 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000345972042 368502884 /nfs/dbraw/zinc/50/28/84/368502884.db2.gz CTPYZOIPGQNYLX-UHFFFAOYSA-N -1 3 287.275 2.185 20 5 CEBDHM CCC[C@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCOC1 ZINC000339193823 284091757 /nfs/dbraw/zinc/09/17/57/284091757.db2.gz MUIVSONPKQEQEY-AWEZNQCLSA-N -1 3 280.324 2.349 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221532005 370242073 /nfs/dbraw/zinc/24/20/73/370242073.db2.gz QJPFOWHHRDPDHE-JFGNBEQYSA-N -1 3 278.308 2.451 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)[O-])C1 ZINC000226446243 370342051 /nfs/dbraw/zinc/34/20/51/370342051.db2.gz AIXKBHWQUWJGTA-MWLCHTKSSA-N -1 3 264.281 2.062 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000564336628 377379229 /nfs/dbraw/zinc/37/92/29/377379229.db2.gz CGMFXHPFYUBBIU-QWRGUYRKSA-N -1 3 278.308 2.371 20 5 CEBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1OC ZINC000520594181 379489651 /nfs/dbraw/zinc/48/96/51/379489651.db2.gz GGBRIEJUIXCBKQ-SNVBAGLBSA-N -1 3 296.323 2.289 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(-c2ccccn2)c1 ZINC000523533583 379597779 /nfs/dbraw/zinc/59/77/79/379597779.db2.gz RMATYAOJAUWFJF-UHFFFAOYSA-N -1 3 282.263 2.314 20 5 CEBDHM O=C(Nc1cccc2cc[nH]c21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000574955725 299543246 /nfs/dbraw/zinc/54/32/46/299543246.db2.gz LVCGNXCDJAXQLA-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM C[C@@H](NC1CC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423748725 394974901 /nfs/dbraw/zinc/97/49/01/394974901.db2.gz UUOOSLIANMRRFZ-ZCFIWIBFSA-N -1 3 299.714 2.033 20 5 CEBDHM Cc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1[O-] ZINC000181266450 395211676 /nfs/dbraw/zinc/21/16/76/395211676.db2.gz GASXITNFKZGPTC-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM O=C([O-])C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000038027753 174013777 /nfs/dbraw/zinc/01/37/77/174013777.db2.gz YQQYVVWYKHGGLH-ZDUSSCGKSA-N -1 3 278.308 2.424 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(C)s1 ZINC000427125074 260552363 /nfs/dbraw/zinc/55/23/63/260552363.db2.gz ZBRAROGAERMLPC-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM Cc1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000348022381 280366903 /nfs/dbraw/zinc/36/69/03/280366903.db2.gz VYMKCODHNMARAI-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739060782 574891849 /nfs/dbraw/zinc/89/18/49/574891849.db2.gz VRNCCFSVYLDPCK-WDEREUQCSA-N -1 3 293.323 2.245 20 5 CEBDHM O=C([O-])C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000821511733 598120145 /nfs/dbraw/zinc/12/01/45/598120145.db2.gz PUEYYLUTEGUAKJ-HYXAFXHYSA-N -1 3 290.319 2.405 20 5 CEBDHM CC[C@](C)(CC(=O)[O-])NCc1c(F)cccc1[N+](=O)[O-] ZINC000828664493 601556884 /nfs/dbraw/zinc/55/68/84/601556884.db2.gz ATAQQVJXCMSKDD-CYBMUJFWSA-N -1 3 284.287 2.467 20 5 CEBDHM CCN(CCN[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000827150239 604957969 /nfs/dbraw/zinc/95/79/69/604957969.db2.gz CJZUYRMYNJUJFU-SNVBAGLBSA-N -1 3 281.312 2.245 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822271194 607024839 /nfs/dbraw/zinc/02/48/39/607024839.db2.gz PZQVUWDZBYIDPQ-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822271194 607024841 /nfs/dbraw/zinc/02/48/41/607024841.db2.gz PZQVUWDZBYIDPQ-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2ccccc2-c2nnn[n-]2)nc1 ZINC000826498255 607885187 /nfs/dbraw/zinc/88/51/87/607885187.db2.gz NGZXUJZABMJYDV-AATRIKPKSA-N -1 3 294.274 2.340 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2ccccc2-c2nn[n-]n2)nc1 ZINC000826498255 607885188 /nfs/dbraw/zinc/88/51/88/607885188.db2.gz NGZXUJZABMJYDV-AATRIKPKSA-N -1 3 294.274 2.340 20 5 CEBDHM Cc1ccc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c([N+](=O)[O-])c1 ZINC000894373880 629403911 /nfs/dbraw/zinc/40/39/11/629403911.db2.gz AVFBIMQKJBCGTJ-JTQLQIEISA-N -1 3 288.307 2.326 20 5 CEBDHM CON(CC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853617528 643833348 /nfs/dbraw/zinc/83/33/48/643833348.db2.gz CPXHAHOIGXZDBU-UHFFFAOYSA-N -1 3 255.274 2.109 20 5 CEBDHM CC1(C)CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])OC1 ZINC000710686457 809989080 /nfs/dbraw/zinc/98/90/80/809989080.db2.gz VZOUDMYATSCRLM-SECBINFHSA-N -1 3 281.312 2.313 20 5 CEBDHM O=c1[n-]cncc1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001215290025 815923676 /nfs/dbraw/zinc/92/36/76/815923676.db2.gz VFHKTALVAASFHF-UHFFFAOYSA-N -1 3 268.179 2.112 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601291227 346813769 /nfs/dbraw/zinc/81/37/69/346813769.db2.gz IGSDEDITGCVINV-SSDOTTSWSA-N -1 3 290.366 2.042 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCC1 ZINC000601450808 346839312 /nfs/dbraw/zinc/83/93/12/346839312.db2.gz JAXFZRLWNQSKFY-WDEREUQCSA-N -1 3 296.348 2.062 20 5 CEBDHM CCOc1cc(CN2CCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593730706 345528793 /nfs/dbraw/zinc/52/87/93/345528793.db2.gz PLNPOXSCXAGYNI-GFCCVEGCSA-N -1 3 294.307 2.043 20 5 CEBDHM C[C@@H]1C[C@H](C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596051988 345928173 /nfs/dbraw/zinc/92/81/73/345928173.db2.gz WLOTYYSAQKHPPJ-DTORHVGOSA-N -1 3 251.286 2.178 20 5 CEBDHM CCCCOCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596056345 345929884 /nfs/dbraw/zinc/92/98/84/345929884.db2.gz SMPKFEBQYDYIGL-UHFFFAOYSA-N -1 3 269.301 2.314 20 5 CEBDHM CCOCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596175705 345960795 /nfs/dbraw/zinc/96/07/95/345960795.db2.gz WBVWUDAFPMQRFW-UHFFFAOYSA-N -1 3 281.312 2.314 20 5 CEBDHM CN(C[C@@H]1CC=CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596190957 345965151 /nfs/dbraw/zinc/96/51/51/345965151.db2.gz CDWKKFJWDIEFNJ-SNVBAGLBSA-N -1 3 263.297 2.488 20 5 CEBDHM Cc1nc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])sc1C ZINC000596145899 345951796 /nfs/dbraw/zinc/95/17/96/345951796.db2.gz ZWHMIBNPQHQVJX-UHFFFAOYSA-N -1 3 280.309 2.381 20 5 CEBDHM C[C@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596197047 345967253 /nfs/dbraw/zinc/96/72/53/345967253.db2.gz QDLSQZPUODNJBI-VIFPVBQESA-N -1 3 251.286 2.322 20 5 CEBDHM O=c1[n-]ccc(NC2CC(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596235490 345976100 /nfs/dbraw/zinc/97/61/00/345976100.db2.gz KAMUWMSPHFOZQT-UHFFFAOYSA-N -1 3 277.202 2.448 20 5 CEBDHM COCC1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596244386 345978690 /nfs/dbraw/zinc/97/86/90/345978690.db2.gz PVJYWLFXXXJEGR-UHFFFAOYSA-N -1 3 281.312 2.314 20 5 CEBDHM CC[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596276923 345989772 /nfs/dbraw/zinc/98/97/72/345989772.db2.gz GZCULJRDKUXDMW-RKDXNWHRSA-N -1 3 267.285 2.065 20 5 CEBDHM C[C@H]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596478194 346033611 /nfs/dbraw/zinc/03/36/11/346033611.db2.gz PSMTWCZIGWCZFZ-IUCAKERBSA-N -1 3 267.285 2.065 20 5 CEBDHM C[C@@]1(C(=O)[O-])CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062876585 362727678 /nfs/dbraw/zinc/72/76/78/362727678.db2.gz XSXZJSSNOARNRI-CQSZACIVSA-N -1 3 278.308 2.282 20 5 CEBDHM C[C@H](SCCc1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000603338085 347342608 /nfs/dbraw/zinc/34/26/08/347342608.db2.gz KLJUQMXIRNWSOS-QMMMGPOBSA-N -1 3 279.325 2.145 20 5 CEBDHM C[C@H](SCCc1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000603338085 347342611 /nfs/dbraw/zinc/34/26/11/347342611.db2.gz KLJUQMXIRNWSOS-QMMMGPOBSA-N -1 3 279.325 2.145 20 5 CEBDHM CC(C)OCCO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493488998 290833250 /nfs/dbraw/zinc/83/32/50/290833250.db2.gz PEFXPKBZCATILG-BQYQJAHWSA-N -1 3 294.307 2.081 20 5 CEBDHM C[C@H](CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000086807839 179339986 /nfs/dbraw/zinc/33/99/86/179339986.db2.gz NSBWDRMCBHHYIA-ZJUUUORDSA-N -1 3 266.297 2.308 20 5 CEBDHM C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC000569935262 299228460 /nfs/dbraw/zinc/22/84/60/299228460.db2.gz LOMGMLVFQMDMHL-PELKAZGASA-N -1 3 284.337 2.199 20 5 CEBDHM C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000570514529 299261413 /nfs/dbraw/zinc/26/14/13/299261413.db2.gz OZSYFKOPEYKYCG-ZYHUDNBSSA-N -1 3 278.308 2.137 20 5 CEBDHM COc1ccc(CN2CCC[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000079487378 363607338 /nfs/dbraw/zinc/60/73/38/363607338.db2.gz UJSFXPWESMXUPJ-CQSZACIVSA-N -1 3 294.307 2.043 20 5 CEBDHM C[C@H](CO)N(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC000339145096 366676298 /nfs/dbraw/zinc/67/62/98/366676298.db2.gz JRKJFHXLRHBEBH-LLVKDONJSA-N -1 3 294.351 2.283 20 5 CEBDHM COc1cc(CNc2cc(C)on2)c([N+](=O)[O-])cc1[O-] ZINC000181461673 189297100 /nfs/dbraw/zinc/29/71/00/189297100.db2.gz FEBCVIOZQQHWTD-UHFFFAOYSA-N -1 3 279.252 2.218 20 5 CEBDHM CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000175696823 368164068 /nfs/dbraw/zinc/16/40/68/368164068.db2.gz ISJMOJGQNCMDGD-UHFFFAOYSA-N -1 3 284.337 2.063 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2nn[n-]c21 ZINC000189507150 369528128 /nfs/dbraw/zinc/52/81/28/369528128.db2.gz BSVWHJKZXRZPMT-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2[n-]nnc21 ZINC000189507150 369528132 /nfs/dbraw/zinc/52/81/32/369528132.db2.gz BSVWHJKZXRZPMT-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2n[n-]nc21 ZINC000189507150 369528136 /nfs/dbraw/zinc/52/81/36/369528136.db2.gz BSVWHJKZXRZPMT-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)ccc2F)n1 ZINC000344603166 217245812 /nfs/dbraw/zinc/24/58/12/217245812.db2.gz IQPJFDKFGOKYBO-UHFFFAOYSA-N -1 3 298.661 2.373 20 5 CEBDHM CC(C)O[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000294144907 377919335 /nfs/dbraw/zinc/91/93/35/377919335.db2.gz PQJGOAWXYMSOFN-UHFFFAOYSA-N -1 3 258.661 2.318 20 5 CEBDHM O=[N+]([O-])c1ccccc1/C=C/CNCc1ncccc1[O-] ZINC000355285552 395396437 /nfs/dbraw/zinc/39/64/37/395396437.db2.gz DQBPZCGMPOLEPR-ZZXKWVIFSA-N -1 3 285.303 2.498 20 5 CEBDHM O=C(Nc1ccc2cc[nH]c2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194867219 395451383 /nfs/dbraw/zinc/45/13/83/395451383.db2.gz UZQOJZLKDAKFAU-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM O=[N+]([O-])c1ccc(CNCc2ncccc2[O-])c(F)c1 ZINC000355324886 395411381 /nfs/dbraw/zinc/41/13/81/395411381.db2.gz YHJHTLJBQZBWET-UHFFFAOYSA-N -1 3 277.255 2.124 20 5 CEBDHM Cc1cc([N-]C(=O)COc2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000194613213 395443277 /nfs/dbraw/zinc/44/32/77/395443277.db2.gz WPFPKOLMQLZKKK-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000359933998 155175057 /nfs/dbraw/zinc/17/50/57/155175057.db2.gz DBZPOSXBPUGHMW-GHMZBOCLSA-N -1 3 298.364 2.309 20 5 CEBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000132018358 296660178 /nfs/dbraw/zinc/66/01/78/296660178.db2.gz VQFBLEMAEWUKNW-NXEZZACHSA-N -1 3 284.337 2.062 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(F)c2)n1 ZINC000191479140 227009334 /nfs/dbraw/zinc/00/93/34/227009334.db2.gz CSSFWNQWVNPYOT-UHFFFAOYSA-N -1 3 296.233 2.342 20 5 CEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CC12CC2 ZINC000422119343 270711266 /nfs/dbraw/zinc/71/12/66/270711266.db2.gz KAIDADSTMWOGCG-LLVKDONJSA-N -1 3 298.302 2.145 20 5 CEBDHM C[C@@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000339082847 289202713 /nfs/dbraw/zinc/20/27/13/289202713.db2.gz KPUYFJLCZNRCLV-HUUCEWRRSA-N -1 3 292.335 2.348 20 5 CEBDHM CC(C)n1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)nn1 ZINC000460052347 290254930 /nfs/dbraw/zinc/25/49/30/290254930.db2.gz DTEPFPLEEVVLQQ-UHFFFAOYSA-N -1 3 293.258 2.159 20 5 CEBDHM O=C([N-]c1ccon1)c1cc([N+](=O)[O-])ccc1Cl ZINC000057989261 527465538 /nfs/dbraw/zinc/46/55/38/527465538.db2.gz DPEWGWFMZCIETE-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM CC(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735701004 574764780 /nfs/dbraw/zinc/76/47/80/574764780.db2.gz JBIHQTGPOIESES-SECBINFHSA-N -1 3 290.327 2.479 20 5 CEBDHM CC(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735701004 574764781 /nfs/dbraw/zinc/76/47/81/574764781.db2.gz JBIHQTGPOIESES-SECBINFHSA-N -1 3 290.327 2.479 20 5 CEBDHM O=C([O-])C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000821511731 598120047 /nfs/dbraw/zinc/12/00/47/598120047.db2.gz PUEYYLUTEGUAKJ-HWKANZROSA-N -1 3 290.319 2.405 20 5 CEBDHM CC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC000820727037 634512451 /nfs/dbraw/zinc/51/24/51/634512451.db2.gz FTUPHJIBYOSAEW-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM Cc1nonc1[N-]C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155603937 628981877 /nfs/dbraw/zinc/98/18/77/628981877.db2.gz MJQIXOJVTYWMGC-UHFFFAOYSA-N -1 3 282.643 2.192 20 5 CEBDHM Cc1cc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c([N+](=O)[O-])s1 ZINC000894373199 629402992 /nfs/dbraw/zinc/40/29/92/629402992.db2.gz QJEFFHFCDMPLNL-MRVPVSSYSA-N -1 3 294.336 2.387 20 5 CEBDHM C[C@@H]1CC2(CC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CO1 ZINC000897043475 630903952 /nfs/dbraw/zinc/90/39/52/630903952.db2.gz ARXLYIVHTSCTJV-BGQFSCJGSA-N -1 3 279.296 2.065 20 5 CEBDHM Cc1nnc([C@H](C)[N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])o1 ZINC000804548143 631702359 /nfs/dbraw/zinc/70/23/59/631702359.db2.gz RMUQQSWFGQHKSP-LURJTMIESA-N -1 3 293.239 2.368 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000877742022 650885466 /nfs/dbraw/zinc/88/54/66/650885466.db2.gz XGSAPHVHHLREIX-CMPLNLGQSA-N -1 3 294.376 2.485 20 5 CEBDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000716631155 815137223 /nfs/dbraw/zinc/13/72/23/815137223.db2.gz LRVICRIKGZCICZ-IMSYWVGJSA-N -1 3 263.297 2.399 20 5 CEBDHM O=c1[n-]ccc(NCCSC(F)(F)F)c1[N+](=O)[O-] ZINC000695469856 810026127 /nfs/dbraw/zinc/02/61/27/810026127.db2.gz SBXHHSSFITYIMU-UHFFFAOYSA-N -1 3 283.231 2.360 20 5 CEBDHM CCCc1nnc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001254000663 812250121 /nfs/dbraw/zinc/25/01/21/812250121.db2.gz QZCJFWZFEQDOSZ-UHFFFAOYSA-N -1 3 291.189 2.339 20 5 CEBDHM CCCc1nnc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001254000663 812250129 /nfs/dbraw/zinc/25/01/29/812250129.db2.gz QZCJFWZFEQDOSZ-UHFFFAOYSA-N -1 3 291.189 2.339 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H](C)C(=O)[O-] ZINC000251104253 344635511 /nfs/dbraw/zinc/63/55/11/344635511.db2.gz NSBWDRMCBHHYIA-VHSXEESVSA-N -1 3 266.297 2.308 20 5 CEBDHM CC(C)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596165515 345957621 /nfs/dbraw/zinc/95/76/21/345957621.db2.gz TVPBGIREDCZUPP-VIFPVBQESA-N -1 3 251.286 2.178 20 5 CEBDHM CC1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596172136 345959496 /nfs/dbraw/zinc/95/94/96/345959496.db2.gz GZCLQCPSGHFQKD-QMMMGPOBSA-N -1 3 267.285 2.065 20 5 CEBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596177655 345960374 /nfs/dbraw/zinc/96/03/74/345960374.db2.gz NQPVNBMCVQCGFW-RKDXNWHRSA-N -1 3 251.286 2.178 20 5 CEBDHM CC(C)Cn1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596143015 345950558 /nfs/dbraw/zinc/95/05/58/345950558.db2.gz VOYITJBDKCWMRK-UHFFFAOYSA-N -1 3 277.284 2.292 20 5 CEBDHM O=c1[n-]ccc(NCC2(CCO)CCCC2)c1[N+](=O)[O-] ZINC000596144338 345950801 /nfs/dbraw/zinc/95/08/01/345950801.db2.gz DMCZBZJVKCTULZ-UHFFFAOYSA-N -1 3 281.312 2.050 20 5 CEBDHM O=c1[n-]ccc(N[C@H]2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000596220291 345973613 /nfs/dbraw/zinc/97/36/13/345973613.db2.gz YJSBJGFWULNRHY-ONGXEEELSA-N -1 3 279.296 2.065 20 5 CEBDHM C[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CS1 ZINC000596273164 345988434 /nfs/dbraw/zinc/98/84/34/345988434.db2.gz OHXQKAAHFYZSHB-BQBZGAKWSA-N -1 3 255.299 2.001 20 5 CEBDHM CO[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC000596531866 346047581 /nfs/dbraw/zinc/04/75/81/346047581.db2.gz XUAVWEMRWLRKOK-NSHDSACASA-N -1 3 281.312 2.313 20 5 CEBDHM O=c1[n-]ccc(N2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000599192922 346477064 /nfs/dbraw/zinc/47/70/64/346477064.db2.gz SYJANQLUGWWNHH-UHFFFAOYSA-N -1 3 263.297 2.466 20 5 CEBDHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000157548001 188323910 /nfs/dbraw/zinc/32/39/10/188323910.db2.gz MBHSGAROVYBANL-JTQLQIEISA-N -1 3 286.353 2.308 20 5 CEBDHM CC/C=C/C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451781863 283103677 /nfs/dbraw/zinc/10/36/77/283103677.db2.gz YNLMHZPQDIQTJA-AATRIKPKSA-N -1 3 298.364 2.456 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000339010436 366613591 /nfs/dbraw/zinc/61/35/91/366613591.db2.gz BNVMWZMLLXNBIA-FZMZJTMJSA-N -1 3 292.335 2.301 20 5 CEBDHM COc1cc(CN[C@H]2CCC[C@@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000339583237 366708705 /nfs/dbraw/zinc/70/87/05/366708705.db2.gz HMEBOMFIRAJTSM-UWVGGRQHSA-N -1 3 284.287 2.289 20 5 CEBDHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000112707924 364831848 /nfs/dbraw/zinc/83/18/48/364831848.db2.gz XHSSIROYPXGTEI-VIFPVBQESA-N -1 3 284.337 2.062 20 5 CEBDHM C[C@@H](CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000583877661 367109973 /nfs/dbraw/zinc/10/99/73/367109973.db2.gz UJMKSGFABYIUNK-JTQLQIEISA-N -1 3 278.308 2.280 20 5 CEBDHM Cc1ncc(CNc2c(F)cc([N+](=O)[O-])cc2F)c(=O)[n-]1 ZINC000343587606 367901288 /nfs/dbraw/zinc/90/12/88/367901288.db2.gz DFAKSLMMRWWVJS-UHFFFAOYSA-N -1 3 296.233 2.289 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000345945288 368491197 /nfs/dbraw/zinc/49/11/97/368491197.db2.gz SXUPPOXSSHBPMR-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM O=[N+]([O-])c1cc(F)c([N-]OC[C@@H]2CCOC2)c(F)c1 ZINC000276190137 193237762 /nfs/dbraw/zinc/23/77/62/193237762.db2.gz GYMYJEYSEJOVCN-SSDOTTSWSA-N -1 3 274.223 2.253 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000344808927 217316983 /nfs/dbraw/zinc/31/69/83/217316983.db2.gz LHQPULKLZXJKFU-GFCCVEGCSA-N -1 3 298.364 2.370 20 5 CEBDHM CSCCON=C([O-])Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000280718746 375294557 /nfs/dbraw/zinc/29/45/57/375294557.db2.gz CTGYQZMBJCQSKB-UHFFFAOYSA-N -1 3 285.325 2.319 20 5 CEBDHM CSCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000280718746 375294562 /nfs/dbraw/zinc/29/45/62/375294562.db2.gz CTGYQZMBJCQSKB-UHFFFAOYSA-N -1 3 285.325 2.319 20 5 CEBDHM CC(C)C[C@H](C(=O)[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000520823558 379506847 /nfs/dbraw/zinc/50/68/47/379506847.db2.gz IXIUGUUMPOOYPE-CQSZACIVSA-N -1 3 292.335 2.452 20 5 CEBDHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccccc1[N+](=O)[O-] ZINC000289330959 197299517 /nfs/dbraw/zinc/29/95/17/197299517.db2.gz YBBWCONSMDFKEE-SSDOTTSWSA-N -1 3 258.224 2.427 20 5 CEBDHM Cc1c([N-]S(=O)(=O)CCCCF)cccc1[N+](=O)[O-] ZINC000288675305 197142333 /nfs/dbraw/zinc/14/23/33/197142333.db2.gz WMMKGYIFUNSISX-UHFFFAOYSA-N -1 3 290.316 2.395 20 5 CEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000435632243 395380392 /nfs/dbraw/zinc/38/03/92/395380392.db2.gz MIZZURXPTBCDHM-HTQZYQBOSA-N -1 3 290.366 2.042 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C)CC2)c1C ZINC000360209084 155241606 /nfs/dbraw/zinc/24/16/06/155241606.db2.gz YBIBVAVDHSYSDZ-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000360351793 155277404 /nfs/dbraw/zinc/27/74/04/155277404.db2.gz JKIXCGQQGYMSCU-QWRGUYRKSA-N -1 3 298.364 2.309 20 5 CEBDHM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1[O-] ZINC000180961894 165325728 /nfs/dbraw/zinc/32/57/28/165325728.db2.gz JMKUXIRSEOFTSW-UHFFFAOYSA-N -1 3 273.248 2.135 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)[O-])C1 ZINC000086790325 287152620 /nfs/dbraw/zinc/15/26/20/287152620.db2.gz WUFCKYWDSUJLGA-UWVGGRQHSA-N -1 3 264.281 2.062 20 5 CEBDHM Cc1[nH]nc(C(=O)[N-]c2cccc(F)c2F)c1[N+](=O)[O-] ZINC000354789437 227110807 /nfs/dbraw/zinc/11/08/07/227110807.db2.gz IHEADFSDYGFLKD-UHFFFAOYSA-N -1 3 282.206 2.157 20 5 CEBDHM C[C@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000211473099 280206981 /nfs/dbraw/zinc/20/69/81/280206981.db2.gz PACMWJBZUYSBLS-GXSJLCMTSA-N -1 3 293.323 2.188 20 5 CEBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OCc1cccnc1 ZINC000255117175 280473678 /nfs/dbraw/zinc/47/36/78/280473678.db2.gz DARUOTFTTQWDOX-SREVYHEPSA-N -1 3 299.286 2.251 20 5 CEBDHM Cc1co[n-]c1=NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000435693512 281391940 /nfs/dbraw/zinc/39/19/40/281391940.db2.gz MHDWHNSABGFSIQ-UHFFFAOYSA-N -1 3 287.231 2.312 20 5 CEBDHM CC(C)CO[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000153377560 289111948 /nfs/dbraw/zinc/11/19/48/289111948.db2.gz VXJALKQXTDONSX-GQCTYLIASA-N -1 3 282.271 2.451 20 5 CEBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000535735089 298188913 /nfs/dbraw/zinc/18/89/13/298188913.db2.gz JIIVSAJSPKWFEM-UHFFFAOYSA-N -1 3 284.337 2.062 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1C(C)C ZINC000416544936 302049295 /nfs/dbraw/zinc/04/92/95/302049295.db2.gz HJBHWUAVQFORHM-WDEREUQCSA-N -1 3 298.364 2.226 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC000180991646 312779275 /nfs/dbraw/zinc/77/92/75/312779275.db2.gz AYFOFUBDJGJFOK-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM C[C@H](CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000050444747 524296874 /nfs/dbraw/zinc/29/68/74/524296874.db2.gz SHZMAOUGGWMXMN-MRVPVSSYSA-N -1 3 286.715 2.401 20 5 CEBDHM C[C@@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736225376 574778838 /nfs/dbraw/zinc/77/88/38/574778838.db2.gz CCTYUHKTQHZGJJ-BDAKNGLRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736225376 574778840 /nfs/dbraw/zinc/77/88/40/574778840.db2.gz CCTYUHKTQHZGJJ-BDAKNGLRSA-N -1 3 288.311 2.010 20 5 CEBDHM CCC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736421333 574787138 /nfs/dbraw/zinc/78/71/38/574787138.db2.gz ASJXSAUYIGKPIE-VIFPVBQESA-N -1 3 290.327 2.400 20 5 CEBDHM CCC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736421333 574787140 /nfs/dbraw/zinc/78/71/40/574787140.db2.gz ASJXSAUYIGKPIE-VIFPVBQESA-N -1 3 290.327 2.400 20 5 CEBDHM CCCN(CCC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736473155 574789847 /nfs/dbraw/zinc/78/98/47/574789847.db2.gz ICVPVKGLENKSAU-UHFFFAOYSA-N -1 3 290.327 2.401 20 5 CEBDHM CCCN(CCC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736473155 574789848 /nfs/dbraw/zinc/78/98/48/574789848.db2.gz ICVPVKGLENKSAU-UHFFFAOYSA-N -1 3 290.327 2.401 20 5 CEBDHM CCC[C@@](C)(NCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736963443 574800547 /nfs/dbraw/zinc/80/05/47/574800547.db2.gz YVWCWMKFKIFRRK-CYBMUJFWSA-N -1 3 284.287 2.467 20 5 CEBDHM CN(CCC1CC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825918479 607562822 /nfs/dbraw/zinc/56/28/22/607562822.db2.gz FVUWPZWEXUJPFV-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM CN(CCC1CC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825918479 607562823 /nfs/dbraw/zinc/56/28/23/607562823.db2.gz FVUWPZWEXUJPFV-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821040890 606419925 /nfs/dbraw/zinc/41/99/25/606419925.db2.gz UUGXIAAECQACCR-QPUJVOFHSA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821040890 606419926 /nfs/dbraw/zinc/41/99/26/606419926.db2.gz UUGXIAAECQACCR-QPUJVOFHSA-N -1 3 288.311 2.375 20 5 CEBDHM O=c1cc([C@H]2CCN(c3sccc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894374200 629404906 /nfs/dbraw/zinc/40/49/06/629404906.db2.gz FXCNQOIMKOWVSL-ZETCQYMHSA-N -1 3 280.309 2.079 20 5 CEBDHM CC(C)(C)CC(=O)[N-]OCCOc1cccc([N+](=O)[O-])c1 ZINC000842061891 639935470 /nfs/dbraw/zinc/93/54/70/639935470.db2.gz RWDRHLMLLMFPJV-UHFFFAOYSA-N -1 3 296.323 2.458 20 5 CEBDHM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[N-]OCC(F)F ZINC000760152047 645115355 /nfs/dbraw/zinc/11/53/55/645115355.db2.gz ZQIQOSJZRCDWRL-SOFGYWHQSA-N -1 3 286.234 2.311 20 5 CEBDHM O=c1[n-]ccc(NC2CCC3(COC3)CC2)c1[N+](=O)[O-] ZINC000882994491 652312091 /nfs/dbraw/zinc/31/20/91/652312091.db2.gz ILHJZXKBTDIWEF-UHFFFAOYSA-N -1 3 279.296 2.067 20 5 CEBDHM O=c1[n-]ccc(NCC[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000704912463 809763153 /nfs/dbraw/zinc/76/31/53/809763153.db2.gz PHKCGNFAFNSBMT-QMMMGPOBSA-N -1 3 269.326 2.251 20 5 CEBDHM Cc1c(CN2C3CCC2(C(=O)[O-])CC3)cccc1[N+](=O)[O-] ZINC000601962061 346944737 /nfs/dbraw/zinc/94/47/37/346944737.db2.gz BEZMPSSKYFGKOF-UHFFFAOYSA-N -1 3 290.319 2.485 20 5 CEBDHM Cc1c(CN2CC[C@@H](C(=O)[O-])[C@H]2C)cccc1[N+](=O)[O-] ZINC000227576550 344554874 /nfs/dbraw/zinc/55/48/74/344554874.db2.gz AAJOFNXWAKZYNV-ZYHUDNBSSA-N -1 3 278.308 2.198 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CCOC2)CC1 ZINC000590169302 345119193 /nfs/dbraw/zinc/11/91/93/345119193.db2.gz IBYXHVGTLAHSDT-UHFFFAOYSA-N -1 3 292.335 2.303 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC1CCC1 ZINC000594859030 345692194 /nfs/dbraw/zinc/69/21/94/345692194.db2.gz XOTRFXKQQCLJQF-UHFFFAOYSA-N -1 3 298.364 2.453 20 5 CEBDHM O=c1[n-]ccc(NCCC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596191789 345965994 /nfs/dbraw/zinc/96/59/94/345965994.db2.gz GDHLLYFJGZKNHK-SNVBAGLBSA-N -1 3 281.312 2.457 20 5 CEBDHM O=c1[n-]ccc(NCC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596187629 345964550 /nfs/dbraw/zinc/96/45/50/345964550.db2.gz VCCRWRSPFBLQEQ-SECBINFHSA-N -1 3 267.285 2.067 20 5 CEBDHM O=c1[n-]ccc(NCC2(O)CCCCCC2)c1[N+](=O)[O-] ZINC000596131559 345946815 /nfs/dbraw/zinc/94/68/15/345946815.db2.gz PEEBGNBXJPNTQX-UHFFFAOYSA-N -1 3 281.312 2.193 20 5 CEBDHM O=c1[n-]ccc(NCC2(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000596230307 345974935 /nfs/dbraw/zinc/97/49/35/345974935.db2.gz XAINBIREUXPROA-UHFFFAOYSA-N -1 3 277.202 2.450 20 5 CEBDHM O=c1[n-]ccc(N2CCC(C3CC3)CC2)c1[N+](=O)[O-] ZINC000596238036 345977327 /nfs/dbraw/zinc/97/73/27/345977327.db2.gz MEGKIAWUWWMWCW-UHFFFAOYSA-N -1 3 263.297 2.322 20 5 CEBDHM CC1(C)CCC[C@]1(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596244363 345979046 /nfs/dbraw/zinc/97/90/46/345979046.db2.gz PQJZSMGHHFUDFT-ZDUSSCGKSA-N -1 3 281.312 2.049 20 5 CEBDHM CN(C[C@H]1CC1(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596563473 346056052 /nfs/dbraw/zinc/05/60/52/346056052.db2.gz FVGLCHIQTLLREM-MRVPVSSYSA-N -1 3 251.286 2.178 20 5 CEBDHM CC1CCC(O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596570416 346057754 /nfs/dbraw/zinc/05/77/54/346057754.db2.gz KNMXKCYJGLOEMO-UHFFFAOYSA-N -1 3 281.312 2.049 20 5 CEBDHM O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000129154637 365830870 /nfs/dbraw/zinc/83/08/70/365830870.db2.gz AKZOCIKAPKUPDE-UHFFFAOYSA-N -1 3 287.275 2.351 20 5 CEBDHM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1[O-] ZINC000610777264 347713776 /nfs/dbraw/zinc/71/37/76/347713776.db2.gz AFRAFZVRUKXMBX-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000132481663 366147802 /nfs/dbraw/zinc/14/78/02/366147802.db2.gz XGLNBOANNMMTAI-SSDOTTSWSA-N -1 3 290.316 2.119 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]1(C)C(=O)[O-] ZINC000079489034 363608945 /nfs/dbraw/zinc/60/89/45/363608945.db2.gz OOYHNQLMSNEATR-AWEZNQCLSA-N -1 3 294.307 2.043 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000339050187 366630485 /nfs/dbraw/zinc/63/04/85/366630485.db2.gz FVTBMLXENPDABB-RYUDHWBXSA-N -1 3 292.335 2.159 20 5 CEBDHM COc1cc(CN[C@@H]2C[C@H]2C(F)F)c([N+](=O)[O-])cc1[O-] ZINC000342218532 216265389 /nfs/dbraw/zinc/26/53/89/216265389.db2.gz IPZCOZXMQIKJQL-HTQZYQBOSA-N -1 3 288.250 2.052 20 5 CEBDHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152892622 366719249 /nfs/dbraw/zinc/71/92/49/366719249.db2.gz HJXUTIUATQRZLU-QWRGUYRKSA-N -1 3 298.364 2.452 20 5 CEBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1F ZINC000103202748 364634224 /nfs/dbraw/zinc/63/42/24/364634224.db2.gz CWLZDCBCBPTYJD-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(CC(F)(F)F)c1 ZINC000118384272 365153230 /nfs/dbraw/zinc/15/32/30/365153230.db2.gz JHJXBEQGDPSFJO-UHFFFAOYSA-N -1 3 287.201 2.492 20 5 CEBDHM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c([O-])c1 ZINC000176531224 368247781 /nfs/dbraw/zinc/24/77/81/368247781.db2.gz OWZFJYINLDHTEJ-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM CCc1csc([N-]C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])n1 ZINC000345790327 368422116 /nfs/dbraw/zinc/42/21/16/368422116.db2.gz YNAWHKNIAJIOMV-UHFFFAOYSA-N -1 3 295.324 2.152 20 5 CEBDHM Cc1ccc([C@@H](C)[N-]C(=O)C(F)F)cc1[N+](=O)[O-] ZINC000194726635 370069170 /nfs/dbraw/zinc/06/91/70/370069170.db2.gz FEKKKEBKUJDIHD-SSDOTTSWSA-N -1 3 258.224 2.346 20 5 CEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Cl)cc2F)n1 ZINC000248137035 371163133 /nfs/dbraw/zinc/16/31/33/371163133.db2.gz OZBPTEYXSOEHBH-UHFFFAOYSA-N -1 3 298.661 2.373 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)c1C ZINC000332190844 377537933 /nfs/dbraw/zinc/53/79/33/377537933.db2.gz QNXZEPHUSXSXEB-ONGXEEELSA-N -1 3 298.364 2.146 20 5 CEBDHM Cc1c(CN(C)[C@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000516665096 379304844 /nfs/dbraw/zinc/30/48/44/379304844.db2.gz UWZBYIQAHDAKMZ-SECBINFHSA-N -1 3 266.297 2.198 20 5 CEBDHM CC(C)C(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000551705137 380650020 /nfs/dbraw/zinc/65/00/20/380650020.db2.gz PICPBHSQJSFLNB-UHFFFAOYSA-N -1 3 286.353 2.308 20 5 CEBDHM CC[C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000420710594 395408652 /nfs/dbraw/zinc/40/86/52/395408652.db2.gz VYQCMWHFOYMNGS-VIFPVBQESA-N -1 3 286.353 2.228 20 5 CEBDHM CC[C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000420710593 395408661 /nfs/dbraw/zinc/40/86/61/395408661.db2.gz VYQCMWHFOYMNGS-SECBINFHSA-N -1 3 286.353 2.228 20 5 CEBDHM O=C([O-])[C@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263406671 154078653 /nfs/dbraw/zinc/07/86/53/154078653.db2.gz KAOWZRWEGLVHCN-VUUYWXRKSA-N -1 3 276.292 2.157 20 5 CEBDHM Cc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1C1CC1 ZINC000285552735 196324274 /nfs/dbraw/zinc/32/42/74/196324274.db2.gz YFSIXRKYENINDO-UHFFFAOYSA-N -1 3 293.308 2.143 20 5 CEBDHM O=C(/C=C/c1cncc([O-])c1)NCc1cccc([N+](=O)[O-])c1 ZINC000181934001 261768070 /nfs/dbraw/zinc/76/80/70/261768070.db2.gz MLCANUFKTWLFPG-SNAWJCMRSA-N -1 3 299.286 2.025 20 5 CEBDHM CSc1ccc(C(=O)[N-]c2nncs2)cc1[N+](=O)[O-] ZINC000021213074 262378806 /nfs/dbraw/zinc/37/88/06/262378806.db2.gz NXBWCCAVHFCADX-UHFFFAOYSA-N -1 3 296.333 2.421 20 5 CEBDHM Nc1c(C(=O)Nc2cccc([O-])c2)cc(F)cc1[N+](=O)[O-] ZINC000133645726 280002892 /nfs/dbraw/zinc/00/28/92/280002892.db2.gz FBZDOBIYUWWBDA-UHFFFAOYSA-N -1 3 291.238 2.274 20 5 CEBDHM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)on1 ZINC000154589208 289149744 /nfs/dbraw/zinc/14/97/44/289149744.db2.gz KKMQRAOTNOMIJD-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM Cc1cccc([O-])c1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000538716022 298236044 /nfs/dbraw/zinc/23/60/44/298236044.db2.gz QUXWSGNECZCRBI-UHFFFAOYSA-N -1 3 275.264 2.200 20 5 CEBDHM Cc1cc(C(=O)N2CCC3(CCC3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC000375084036 301086714 /nfs/dbraw/zinc/08/67/14/301086714.db2.gz JZWAAWZGSSJHHD-UHFFFAOYSA-N -1 3 291.307 2.020 20 5 CEBDHM CC(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735701005 574764624 /nfs/dbraw/zinc/76/46/24/574764624.db2.gz JBIHQTGPOIESES-VIFPVBQESA-N -1 3 290.327 2.479 20 5 CEBDHM CC(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735701005 574764625 /nfs/dbraw/zinc/76/46/25/574764625.db2.gz JBIHQTGPOIESES-VIFPVBQESA-N -1 3 290.327 2.479 20 5 CEBDHM Cc1ccc(CN[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000740129446 574944223 /nfs/dbraw/zinc/94/42/23/574944223.db2.gz IERHGMYZYYWBBV-LBPRGKRZSA-N -1 3 293.323 2.135 20 5 CEBDHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000825479676 603621522 /nfs/dbraw/zinc/62/15/22/603621522.db2.gz PFGIXICRTALHLB-ZYHUDNBSSA-N -1 3 293.323 2.388 20 5 CEBDHM C/C(=C\CN[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833382866 605091197 /nfs/dbraw/zinc/09/11/97/605091197.db2.gz JENNCJMAMGKMBZ-OLKPEBQYSA-N -1 3 264.281 2.276 20 5 CEBDHM O=[N+]([O-])c1cc(N2CCCCCC2)ccc1-c1nnn[n-]1 ZINC000823634723 606644696 /nfs/dbraw/zinc/64/46/96/606644696.db2.gz KNTQYZMRWHJYHX-UHFFFAOYSA-N -1 3 288.311 2.155 20 5 CEBDHM O=[N+]([O-])c1ccc(NCCC2CCC2)c(-c2nnn[n-]2)c1 ZINC000823639492 606728747 /nfs/dbraw/zinc/72/87/47/606728747.db2.gz BEROJNAGHQGIIE-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM O=[N+]([O-])c1ccc(NCCC2CCC2)c(-c2nn[n-]n2)c1 ZINC000823639492 606728749 /nfs/dbraw/zinc/72/87/49/606728749.db2.gz BEROJNAGHQGIIE-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM CCN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CC(F)F ZINC000893561607 628744009 /nfs/dbraw/zinc/74/40/09/628744009.db2.gz KBFXDAJQMDQHSJ-UHFFFAOYSA-N -1 3 290.266 2.396 20 5 CEBDHM O=c1cc([C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894375918 629406725 /nfs/dbraw/zinc/40/67/25/629406725.db2.gz UGIYRXABWIYROP-MRVPVSSYSA-N -1 3 292.270 2.157 20 5 CEBDHM O=c1cc([C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894375922 629406915 /nfs/dbraw/zinc/40/69/15/629406915.db2.gz UGIYRXABWIYROP-QMMMGPOBSA-N -1 3 292.270 2.157 20 5 CEBDHM O=c1[nH][n-]cc1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000865942914 647546456 /nfs/dbraw/zinc/54/64/56/647546456.db2.gz XLBYDSKUFUKNAD-MRVPVSSYSA-N -1 3 296.714 2.172 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CCC23CCOCC3)c1[N+](=O)[O-] ZINC000866173487 647642666 /nfs/dbraw/zinc/64/26/66/647642666.db2.gz SVFXWUJHQSJZSV-JTQLQIEISA-N -1 3 293.323 2.314 20 5 CEBDHM C[C@]1(C(F)(F)F)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000872729385 649471244 /nfs/dbraw/zinc/47/12/44/649471244.db2.gz RZGXVQKRKCUXIA-JTQLQIEISA-N -1 3 291.229 2.474 20 5 CEBDHM O=C(Nc1ncccc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000057632474 343634875 /nfs/dbraw/zinc/63/48/75/343634875.db2.gz NWOCNMHUWYBDFL-UHFFFAOYSA-N -1 3 265.250 2.009 20 5 CEBDHM O=C([N-]c1ncccc1O)c1ccc([N+](=O)[O-])s1 ZINC000057632474 343634878 /nfs/dbraw/zinc/63/48/78/343634878.db2.gz NWOCNMHUWYBDFL-UHFFFAOYSA-N -1 3 265.250 2.009 20 5 CEBDHM CC(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048664342 362294939 /nfs/dbraw/zinc/29/49/39/362294939.db2.gz RWZRENMXNLXIMD-UHFFFAOYSA-N -1 3 292.744 2.183 20 5 CEBDHM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000093503307 344226343 /nfs/dbraw/zinc/22/63/43/344226343.db2.gz NZWUTQVZVJSDAP-AOOOYVTPSA-N -1 3 250.298 2.388 20 5 CEBDHM CSc1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000127134269 344328329 /nfs/dbraw/zinc/32/83/29/344328329.db2.gz QNIBXAIBKLOJFD-UHFFFAOYSA-N -1 3 296.333 2.421 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C)CC1(C)C ZINC000595360488 345768646 /nfs/dbraw/zinc/76/86/46/345768646.db2.gz CBYYIYKIVQZHEG-ZDUSSCGKSA-N -1 3 298.364 2.370 20 5 CEBDHM C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695390 345851132 /nfs/dbraw/zinc/85/11/32/345851132.db2.gz HFCHMWJTTLRRMD-RISCZKNCSA-N -1 3 294.351 2.283 20 5 CEBDHM O=C([O-])[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000596658512 346073856 /nfs/dbraw/zinc/07/38/56/346073856.db2.gz SISRBSLRKHLTCA-LBPRGKRZSA-N -1 3 296.298 2.324 20 5 CEBDHM O=C([N-]c1cnoc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611615384 347798558 /nfs/dbraw/zinc/79/85/58/347798558.db2.gz YDNUYEJOQNAPNT-UHFFFAOYSA-N -1 3 299.189 2.437 20 5 CEBDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104761396 186021473 /nfs/dbraw/zinc/02/14/73/186021473.db2.gz WIJWBNSZXBZBPC-ZJUUUORDSA-N -1 3 284.337 2.062 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000292109099 198166491 /nfs/dbraw/zinc/16/64/91/198166491.db2.gz HAAQGITWWZGTKT-JTQLQIEISA-N -1 3 266.297 2.231 20 5 CEBDHM Cc1c(NC([O-])=NO[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000155533108 188211706 /nfs/dbraw/zinc/21/17/06/188211706.db2.gz BQDWOFUKTIPYFI-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1c(NC(=O)[N-]O[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000155533108 188211708 /nfs/dbraw/zinc/21/17/08/188211708.db2.gz BQDWOFUKTIPYFI-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM C[C@]1(C(=O)[O-])CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000079490646 363608979 /nfs/dbraw/zinc/60/89/79/363608979.db2.gz UGVDVMQPGKBGSP-CYBMUJFWSA-N -1 3 264.281 2.034 20 5 CEBDHM C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000340685091 366985822 /nfs/dbraw/zinc/98/58/22/366985822.db2.gz ZPSUQYBYUMXWFE-VIFPVBQESA-N -1 3 290.275 2.418 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)C)cc1[N+](=O)[O-] ZINC000343474151 367836410 /nfs/dbraw/zinc/83/64/10/367836410.db2.gz XQFCMRINBWEVJD-UHFFFAOYSA-N -1 3 292.382 2.289 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000345933093 368485607 /nfs/dbraw/zinc/48/56/07/368485607.db2.gz RWZXPWWJJCNTED-UHFFFAOYSA-N -1 3 287.275 2.185 20 5 CEBDHM CC(C)c1n[nH]c(C(=O)[N-]OC2CCCC2)c1[N+](=O)[O-] ZINC000272117592 373312240 /nfs/dbraw/zinc/31/22/40/373312240.db2.gz OZKVIGAMGIZVOG-UHFFFAOYSA-N -1 3 282.300 2.045 20 5 CEBDHM COc1cc(CN[C@@H]2CSC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000282587979 375525388 /nfs/dbraw/zinc/52/53/88/375525388.db2.gz BYQJCRYOMJWCNV-GFCCVEGCSA-N -1 3 298.364 2.293 20 5 CEBDHM CC(C)(C)n1ncnc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000282830121 375587957 /nfs/dbraw/zinc/58/79/57/375587957.db2.gz BORGGYFNJSXXEM-UHFFFAOYSA-N -1 3 295.324 2.255 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000293939202 377837205 /nfs/dbraw/zinc/83/72/05/377837205.db2.gz ZLZINDOWSOIWMG-UHFFFAOYSA-N -1 3 298.364 2.370 20 5 CEBDHM CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048660183 394520430 /nfs/dbraw/zinc/52/04/30/394520430.db2.gz GTVDYVRZNUWPER-UHFFFAOYSA-N -1 3 292.744 2.325 20 5 CEBDHM CC[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000420709923 395408735 /nfs/dbraw/zinc/40/87/35/395408735.db2.gz UFPYSEQROMOMLN-ZETCQYMHSA-N -1 3 292.382 2.289 20 5 CEBDHM CCn1ccnc1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000414295329 262837941 /nfs/dbraw/zinc/83/79/41/262837941.db2.gz FIRQCMOODBGTRH-UHFFFAOYSA-N -1 3 292.295 2.138 20 5 CEBDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000043801096 299870627 /nfs/dbraw/zinc/87/06/27/299870627.db2.gz SOAJEDAJTYWBGX-WDEREUQCSA-N -1 3 298.364 2.452 20 5 CEBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1ncccc1[O-] ZINC000576671585 314299498 /nfs/dbraw/zinc/29/94/98/314299498.db2.gz KAWKSYJCNHFHTI-UHFFFAOYSA-N -1 3 287.319 2.370 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000397325747 329349930 /nfs/dbraw/zinc/34/99/30/329349930.db2.gz AERZKRXQYPCDSF-PWSUYJOCSA-N -1 3 278.308 2.280 20 5 CEBDHM O=C([N-]c1nc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000734880749 574733181 /nfs/dbraw/zinc/73/31/81/574733181.db2.gz RDQZIHIVLUMKCC-UHFFFAOYSA-N -1 3 274.236 2.108 20 5 CEBDHM CC[C@](C)(NCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736862687 574798694 /nfs/dbraw/zinc/79/86/94/574798694.db2.gz DNIIUMNJFHDNHI-LBPRGKRZSA-N -1 3 270.260 2.077 20 5 CEBDHM O=C([O-])CCCCNCc1csc([N+](=O)[O-])c1 ZINC000821521910 598166166 /nfs/dbraw/zinc/16/61/66/598166166.db2.gz QORXFMSNLFSNNR-UHFFFAOYSA-N -1 3 258.299 2.001 20 5 CEBDHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000795206534 629477045 /nfs/dbraw/zinc/47/70/45/629477045.db2.gz TVJREHWNGGZPCM-UHFFFAOYSA-N -1 3 290.235 2.216 20 5 CEBDHM COc1c([O-])ccc(CNCC(C)(F)F)c1[N+](=O)[O-] ZINC000894625301 629563904 /nfs/dbraw/zinc/56/39/04/629563904.db2.gz SGAKLIGRCZXFNC-UHFFFAOYSA-N -1 3 276.239 2.054 20 5 CEBDHM CC(C)(C)OC[C@@H]1CCCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000895660794 630292363 /nfs/dbraw/zinc/29/23/63/630292363.db2.gz WJNQSQWMDPGZIT-JTQLQIEISA-N -1 3 295.339 2.479 20 5 CEBDHM Cn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C1CC1 ZINC000799953580 631093219 /nfs/dbraw/zinc/09/32/19/631093219.db2.gz RJXAANHADUGPMI-UHFFFAOYSA-N -1 3 265.298 2.406 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823634213 635238372 /nfs/dbraw/zinc/23/83/72/635238372.db2.gz DLTMMPMHCDLUOE-PLNGDYQASA-N -1 3 294.274 2.340 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823634213 635238379 /nfs/dbraw/zinc/23/83/79/635238379.db2.gz DLTMMPMHCDLUOE-PLNGDYQASA-N -1 3 294.274 2.340 20 5 CEBDHM O=C([N-]OC1CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000836799740 638709509 /nfs/dbraw/zinc/70/95/09/638709509.db2.gz MVYUGILPSLVRGI-UHFFFAOYSA-N -1 3 270.672 2.462 20 5 CEBDHM C[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000300293833 802835891 /nfs/dbraw/zinc/83/58/91/802835891.db2.gz HLKHQKXVOKHCSP-TVQRCGJNSA-N -1 3 296.298 2.419 20 5 CEBDHM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c([O-])c1 ZINC000135453608 344381470 /nfs/dbraw/zinc/38/14/70/344381470.db2.gz AZPSOKJALSEFDQ-UHFFFAOYSA-N -1 3 278.220 2.154 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252607275 344640585 /nfs/dbraw/zinc/64/05/85/344640585.db2.gz RGRFDOIHYWSSOG-GIPNMCIBSA-N -1 3 278.308 2.451 20 5 CEBDHM CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000592423945 345351642 /nfs/dbraw/zinc/35/16/42/345351642.db2.gz QJFXRSNXAPNPQN-SNVBAGLBSA-N -1 3 272.688 2.201 20 5 CEBDHM CC(C)COCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596062306 345931031 /nfs/dbraw/zinc/93/10/31/345931031.db2.gz MRYZQBIFALOOHH-UHFFFAOYSA-N -1 3 269.301 2.170 20 5 CEBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccncc1 ZINC000596180060 345961313 /nfs/dbraw/zinc/96/13/13/345961313.db2.gz XAIQUUBRZJUANV-UHFFFAOYSA-N -1 3 288.307 2.480 20 5 CEBDHM CC(C)CCn1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596189108 345964831 /nfs/dbraw/zinc/96/48/31/345964831.db2.gz NXZVWBMBZPKXQO-UHFFFAOYSA-N -1 3 291.311 2.104 20 5 CEBDHM CCOC(=O)C[C@@H](C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596128477 345946331 /nfs/dbraw/zinc/94/63/31/345946331.db2.gz JLMYUFOSXYSCKY-SSDOTTSWSA-N -1 3 286.309 2.129 20 5 CEBDHM CCC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC ZINC000596214520 345971242 /nfs/dbraw/zinc/97/12/42/345971242.db2.gz JBNCZRWIRMNNMJ-SECBINFHSA-N -1 3 297.311 2.087 20 5 CEBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](CC)O1 ZINC000596279693 345990109 /nfs/dbraw/zinc/99/01/09/345990109.db2.gz ZQJIQONFLYOJFY-AOOOYVTPSA-N -1 3 281.312 2.089 20 5 CEBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000596296948 345993409 /nfs/dbraw/zinc/99/34/09/345993409.db2.gz OCGMEJBNMHKWPL-MRVPVSSYSA-N -1 3 297.311 2.085 20 5 CEBDHM O=C([O-])C1(CNCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000596657535 346073981 /nfs/dbraw/zinc/07/39/81/346073981.db2.gz VSURHAITAVPHJC-UHFFFAOYSA-N -1 3 282.271 2.078 20 5 CEBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cc(F)ccn2)c1[N+](=O)[O-] ZINC000598763963 346415538 /nfs/dbraw/zinc/41/55/38/346415538.db2.gz NOQNJGAWFJYDEO-UHFFFAOYSA-N -1 3 293.258 2.228 20 5 CEBDHM O=[N+]([O-])c1ccsc1NCc1ncccc1[O-] ZINC000619501696 349189787 /nfs/dbraw/zinc/18/97/87/349189787.db2.gz MZCBMSBLSATGAE-UHFFFAOYSA-N -1 3 251.267 2.369 20 5 CEBDHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000155400574 188203731 /nfs/dbraw/zinc/20/37/31/188203731.db2.gz BQMQXOKSXFHPCV-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000155400574 188203732 /nfs/dbraw/zinc/20/37/32/188203732.db2.gz BQMQXOKSXFHPCV-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM CC/C=C\C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451772226 283100184 /nfs/dbraw/zinc/10/01/84/283100184.db2.gz JHVFIWROJYKHFR-PLNGDYQASA-N -1 3 284.337 2.148 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000339050186 366630378 /nfs/dbraw/zinc/63/03/78/366630378.db2.gz FVTBMLXENPDABB-NWDGAFQWSA-N -1 3 292.335 2.159 20 5 CEBDHM O=C([O-])[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000003756186 361290770 /nfs/dbraw/zinc/29/07/70/361290770.db2.gz OWNCQZHGAGEWBJ-GFCCVEGCSA-N -1 3 264.281 2.034 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)[O-])CC1 ZINC000086727765 363838567 /nfs/dbraw/zinc/83/85/67/363838567.db2.gz RYVFDKQTXQCSKF-SNVBAGLBSA-N -1 3 278.308 2.452 20 5 CEBDHM COC(=O)c1cc([N-]C(=O)c2ccco2)cc([N+](=O)[O-])c1 ZINC000118723870 365173399 /nfs/dbraw/zinc/17/33/99/365173399.db2.gz AJFFLPRIRZBKOK-UHFFFAOYSA-N -1 3 290.231 2.227 20 5 CEBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000172165740 367688064 /nfs/dbraw/zinc/68/80/64/367688064.db2.gz AKSULQWRXPMOMA-JTQLQIEISA-N -1 3 298.364 2.452 20 5 CEBDHM CC(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000361653852 372005784 /nfs/dbraw/zinc/00/57/84/372005784.db2.gz JIPHSUQLDXBRAI-RXMQYKEDSA-N -1 3 278.186 2.437 20 5 CEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OC1CCCC1 ZINC000272101190 373305382 /nfs/dbraw/zinc/30/53/82/373305382.db2.gz LLZLCKDNTFXGKN-UHFFFAOYSA-N -1 3 264.281 2.128 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCC(=O)[O-] ZINC000565254578 377627648 /nfs/dbraw/zinc/62/76/48/377627648.db2.gz QBQZTOVDMDWGRP-SNVBAGLBSA-N -1 3 266.297 2.371 20 5 CEBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC2CC2)c1 ZINC000293747359 377736343 /nfs/dbraw/zinc/73/63/43/377736343.db2.gz JWJARSRFSUZZID-UHFFFAOYSA-N -1 3 282.321 2.388 20 5 CEBDHM COc1ccc(NC([O-])=NOC(C)C)cc1[N+](=O)[O-] ZINC000296479203 378545742 /nfs/dbraw/zinc/54/57/42/378545742.db2.gz AEKGJGKHZCUHFO-UHFFFAOYSA-N -1 3 269.257 2.065 20 5 CEBDHM COc1ccc(NC(=O)[N-]OC(C)C)cc1[N+](=O)[O-] ZINC000296479203 378545748 /nfs/dbraw/zinc/54/57/48/378545748.db2.gz AEKGJGKHZCUHFO-UHFFFAOYSA-N -1 3 269.257 2.065 20 5 CEBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]O[C@@H]1CCCCO1 ZINC000255564501 394583892 /nfs/dbraw/zinc/58/38/92/394583892.db2.gz LRUIYAZUUIHSRR-DEBLGDTFSA-N -1 3 292.291 2.182 20 5 CEBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)F ZINC000596285872 395666583 /nfs/dbraw/zinc/66/65/83/395666583.db2.gz GTDMIJBJCVOMTB-LURJTMIESA-N -1 3 261.228 2.399 20 5 CEBDHM CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000193917397 153244996 /nfs/dbraw/zinc/24/49/96/153244996.db2.gz DFIFDUAXGGRSMS-UHFFFAOYSA-N -1 3 290.316 2.058 20 5 CEBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000183070481 165384218 /nfs/dbraw/zinc/38/42/18/165384218.db2.gz IEEFXHJVVJXBHR-UHFFFAOYSA-N -1 3 262.221 2.454 20 5 CEBDHM Cc1c(CN2CCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000035649618 172326174 /nfs/dbraw/zinc/32/61/74/172326174.db2.gz RGAKJPXPNRBOTQ-ZDUSSCGKSA-N -1 3 278.308 2.342 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC1CC1 ZINC000076298104 279676086 /nfs/dbraw/zinc/67/60/86/279676086.db2.gz OAMCGYQEGJZBCJ-UHFFFAOYSA-N -1 3 284.337 2.063 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OCC(F)(F)F ZINC000135221628 280039481 /nfs/dbraw/zinc/03/94/81/280039481.db2.gz ZUXCOTOIQOXKFL-SNAWJCMRSA-N -1 3 290.197 2.218 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C2CC2)c([N+](=O)[O-])c1 ZINC000536552777 298198377 /nfs/dbraw/zinc/19/83/77/298198377.db2.gz IFKBFXMFTBQXPX-UHFFFAOYSA-N -1 3 298.364 2.370 20 5 CEBDHM CC(C)[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735703981 574764766 /nfs/dbraw/zinc/76/47/66/574764766.db2.gz YKQUBAJVPLYIHM-SECBINFHSA-N -1 3 290.327 2.479 20 5 CEBDHM CC(C)[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735703981 574764767 /nfs/dbraw/zinc/76/47/67/574764767.db2.gz YKQUBAJVPLYIHM-SECBINFHSA-N -1 3 290.327 2.479 20 5 CEBDHM C[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736261959 574780490 /nfs/dbraw/zinc/78/04/90/574780490.db2.gz LTNTVQINTZFDHD-PSASIEDQSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736261959 574780491 /nfs/dbraw/zinc/78/04/91/574780491.db2.gz LTNTVQINTZFDHD-PSASIEDQSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736264329 574780615 /nfs/dbraw/zinc/78/06/15/574780615.db2.gz VTMCNYPALVXELX-KCJUWKMLSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736264329 574780616 /nfs/dbraw/zinc/78/06/16/574780616.db2.gz VTMCNYPALVXELX-KCJUWKMLSA-N -1 3 288.311 2.375 20 5 CEBDHM CCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000736564555 574792508 /nfs/dbraw/zinc/79/25/08/574792508.db2.gz HSFXSFMTAJSYHW-UHFFFAOYSA-N -1 3 276.300 2.010 20 5 CEBDHM CCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000736564555 574792509 /nfs/dbraw/zinc/79/25/09/574792509.db2.gz HSFXSFMTAJSYHW-UHFFFAOYSA-N -1 3 276.300 2.010 20 5 CEBDHM CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000828406810 603985162 /nfs/dbraw/zinc/98/51/62/603985162.db2.gz GSULXLPZOUFJPM-UHFFFAOYSA-N -1 3 293.323 2.169 20 5 CEBDHM Cc1ccc([C@@H](C)NCCN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830257990 604953403 /nfs/dbraw/zinc/95/34/03/604953403.db2.gz YUMFYXAHSKNDBZ-SNVBAGLBSA-N -1 3 281.312 2.164 20 5 CEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OCCC1CC1 ZINC000817408371 633649728 /nfs/dbraw/zinc/64/97/28/633649728.db2.gz TWRPXDQZCMTYSR-UHFFFAOYSA-N -1 3 278.308 2.375 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846215465 641226101 /nfs/dbraw/zinc/22/61/01/641226101.db2.gz QITSGNLEZOVJSX-SECBINFHSA-N -1 3 284.287 2.370 20 5 CEBDHM Cc1c(CC(=O)[N-]OCC2CCC2)cccc1[N+](=O)[O-] ZINC000856348498 644644607 /nfs/dbraw/zinc/64/46/07/644644607.db2.gz IATGQZZMGYVCCT-UHFFFAOYSA-N -1 3 278.308 2.294 20 5 CEBDHM O=C([N-]c1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000778067057 647197751 /nfs/dbraw/zinc/19/77/51/647197751.db2.gz DUHKLBJZNFTICA-UHFFFAOYSA-N -1 3 299.246 2.021 20 5 CEBDHM O=c1[n-]ccc(N2CCC=C(Cl)C2)c1[N+](=O)[O-] ZINC000865905619 647530808 /nfs/dbraw/zinc/53/08/08/647530808.db2.gz QCUKCJWIBSHPNJ-UHFFFAOYSA-N -1 3 255.661 2.028 20 5 CEBDHM CS[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000866102124 647609575 /nfs/dbraw/zinc/60/95/75/647609575.db2.gz GZCIZVDIJGKFNG-LJGSYFOKSA-N -1 3 255.299 2.001 20 5 CEBDHM O=c1cc(Nc2ccc([N+](=O)[O-])cc2)[nH]c(=S)[n-]1 ZINC001174475377 816018332 /nfs/dbraw/zinc/01/83/32/816018332.db2.gz JYJFLRLIQGOPAE-UHFFFAOYSA-N -1 3 264.266 2.123 20 5 CEBDHM CCCS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000168675584 344480838 /nfs/dbraw/zinc/48/08/38/344480838.db2.gz QYJCZJSJLSFRCK-UHFFFAOYSA-N -1 3 278.717 2.400 20 5 CEBDHM C[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054067526 362507436 /nfs/dbraw/zinc/50/74/36/362507436.db2.gz JEEPXYRWBIXHBD-ZETCQYMHSA-N -1 3 272.688 2.153 20 5 CEBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc([N+](=O)[O-])o1 ZINC000590557550 345145277 /nfs/dbraw/zinc/14/52/77/345145277.db2.gz DXTCPGZFXROERZ-UHFFFAOYSA-N -1 3 288.219 2.022 20 5 CEBDHM CC(C)[C@@H](CNCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594540244 345644754 /nfs/dbraw/zinc/64/47/54/345644754.db2.gz SUVIIISUCDISES-LLVKDONJSA-N -1 3 266.297 2.041 20 5 CEBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000595364249 345769891 /nfs/dbraw/zinc/76/98/91/345769891.db2.gz MNWQYFXROPHWCN-CYBMUJFWSA-N -1 3 298.364 2.308 20 5 CEBDHM O=c1[n-]ccc(NCCOC2CCCC2)c1[N+](=O)[O-] ZINC000596082571 345936048 /nfs/dbraw/zinc/93/60/48/345936048.db2.gz QXNYVTBGYHZJSP-UHFFFAOYSA-N -1 3 267.285 2.067 20 5 CEBDHM CN(C[C@@H]1CC1(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596563474 346056185 /nfs/dbraw/zinc/05/61/85/346056185.db2.gz FVGLCHIQTLLREM-QMMMGPOBSA-N -1 3 251.286 2.178 20 5 CEBDHM O=C([O-])[C@@H](CNCc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000596656511 346073217 /nfs/dbraw/zinc/07/32/17/346073217.db2.gz DXYDGUBVMMPALH-JTQLQIEISA-N -1 3 284.337 2.247 20 5 CEBDHM O=C([N-]c1cc([C@H]2CCCO2)[nH]n1)c1ccc([N+](=O)[O-])o1 ZINC000597840936 346237617 /nfs/dbraw/zinc/23/76/17/346237617.db2.gz BPXNXVXKTFJURC-MRVPVSSYSA-N -1 3 292.251 2.015 20 5 CEBDHM Cn1ncc([N-]c2ccc([N+](=O)[O-])cn2)c1C(F)F ZINC000611143827 347744280 /nfs/dbraw/zinc/74/42/80/347744280.db2.gz RNCIAXPTDOKGMR-UHFFFAOYSA-N -1 3 269.211 2.405 20 5 CEBDHM CCCN(CC(=O)[O-])[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000086776083 283115860 /nfs/dbraw/zinc/11/58/60/283115860.db2.gz GADKOZNYAVRAJZ-SNVBAGLBSA-N -1 3 266.297 2.452 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000570094053 299237526 /nfs/dbraw/zinc/23/75/26/299237526.db2.gz YTVSUZMYDIAAPY-IINYFYTJSA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1NC([O-])=NOC(C)C ZINC000296931849 200038366 /nfs/dbraw/zinc/03/83/66/200038366.db2.gz QDUWNRSNGXBESY-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)[N-]OC(C)C ZINC000296931849 200038367 /nfs/dbraw/zinc/03/83/67/200038367.db2.gz QDUWNRSNGXBESY-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C)CCC2)c1C ZINC000167393389 367339094 /nfs/dbraw/zinc/33/90/94/367339094.db2.gz PKXPUSKPWRPWJR-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM CN(C(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000345206550 368193056 /nfs/dbraw/zinc/19/30/56/368193056.db2.gz XFHQCABEMMMRPN-UHFFFAOYSA-N -1 3 297.274 2.143 20 5 CEBDHM CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000345206550 368193062 /nfs/dbraw/zinc/19/30/62/368193062.db2.gz XFHQCABEMMMRPN-UHFFFAOYSA-N -1 3 297.274 2.143 20 5 CEBDHM CC(C)O[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000379012346 375150171 /nfs/dbraw/zinc/15/01/71/375150171.db2.gz NVNJLLSWYHRZNL-YVMONPNESA-N -1 3 250.254 2.064 20 5 CEBDHM C[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC=CCC1 ZINC000416559276 376094700 /nfs/dbraw/zinc/09/47/00/376094700.db2.gz NZDDLEFEIPVIIQ-CYBMUJFWSA-N -1 3 296.348 2.372 20 5 CEBDHM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCCCF)ccc1F ZINC000294189736 377933773 /nfs/dbraw/zinc/93/37/73/377933773.db2.gz KYEMGRMLZVHUBR-UHFFFAOYSA-N -1 3 294.279 2.225 20 5 CEBDHM CCC1([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000295297300 378090326 /nfs/dbraw/zinc/09/03/26/378090326.db2.gz NWIYGPTUUZZKSO-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM CC(C)(CCc1nc(-c2ccc([O-])cc2)no1)[N+](=O)[O-] ZINC000295906509 378350601 /nfs/dbraw/zinc/35/06/01/378350601.db2.gz LVPHUZNBTYJJOI-UHFFFAOYSA-N -1 3 277.280 2.430 20 5 CEBDHM CSCCO[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492019718 380421410 /nfs/dbraw/zinc/42/14/10/380421410.db2.gz PFEOWNHCNCKXDT-WAYWQWQTSA-N -1 3 282.321 2.019 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OC/C=C\Cl ZINC000493451109 380994049 /nfs/dbraw/zinc/99/40/49/380994049.db2.gz MHZJLNBAPGVPSN-KYKRFQMKSA-N -1 3 282.683 2.408 20 5 CEBDHM CCc1nn(C)cc1[N-]c1ncc([N+](=O)[O-])cc1F ZINC000413220761 394506523 /nfs/dbraw/zinc/50/65/23/394506523.db2.gz HJRZTHBADNVBKU-UHFFFAOYSA-N -1 3 265.248 2.168 20 5 CEBDHM O=[N+]([O-])c1cc(CNCc2ncccc2[O-])cs1 ZINC000355275174 395392498 /nfs/dbraw/zinc/39/24/98/395392498.db2.gz CXSAVMMXYCVVKF-UHFFFAOYSA-N -1 3 265.294 2.047 20 5 CEBDHM Cc1c(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000263110681 154020024 /nfs/dbraw/zinc/02/00/24/154020024.db2.gz BSHMCHXHQXQQHP-MFKMUULPSA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1noc([N-]C(=O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000359733536 155125151 /nfs/dbraw/zinc/12/51/51/155125151.db2.gz XZMJNSWPPREDLG-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1[O-] ZINC000006567940 170214303 /nfs/dbraw/zinc/21/43/03/170214303.db2.gz KRWJYNJMIZPRMW-UHFFFAOYSA-N -1 3 272.260 2.482 20 5 CEBDHM COc1c(C(=O)[N-]c2nnc(C)s2)cccc1[N+](=O)[O-] ZINC000354810685 227130778 /nfs/dbraw/zinc/13/07/78/227130778.db2.gz VKXVXGLZMKDGNJ-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM CCc1nc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000182253032 262148684 /nfs/dbraw/zinc/14/86/84/262148684.db2.gz RTHRZUFRQIVTDY-UHFFFAOYSA-N -1 3 295.686 2.181 20 5 CEBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000089313015 279698161 /nfs/dbraw/zinc/69/81/61/279698161.db2.gz RRCMWPLIBHHLBQ-UHFFFAOYSA-N -1 3 286.287 2.273 20 5 CEBDHM O=C([N-]c1ncccc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000540890540 298270401 /nfs/dbraw/zinc/27/04/01/298270401.db2.gz UUCFFSPIZBKHGP-UHFFFAOYSA-N -1 3 278.655 2.291 20 5 CEBDHM CC(C)c1csc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000549154520 298437871 /nfs/dbraw/zinc/43/78/71/298437871.db2.gz WKJGIQMQPXKKHC-UHFFFAOYSA-N -1 3 281.297 2.150 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)C1CCCCC1 ZINC000579381018 314581962 /nfs/dbraw/zinc/58/19/62/314581962.db2.gz RIJYXYHMSIDSEC-AWEZNQCLSA-N -1 3 294.351 2.331 20 5 CEBDHM O=[N+]([O-])c1cc2c(nc1[N-]c1c[nH]cn1)CCCC2 ZINC000580830933 322347535 /nfs/dbraw/zinc/34/75/35/322347535.db2.gz VIFBLQLJORXHMK-UHFFFAOYSA-N -1 3 259.269 2.335 20 5 CEBDHM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]OCC1CC1 ZINC000293780626 527500136 /nfs/dbraw/zinc/50/01/36/527500136.db2.gz NSOQWXLVSFGDLE-NTMALXAHSA-N -1 3 276.292 2.456 20 5 CEBDHM CCC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736422032 574787641 /nfs/dbraw/zinc/78/76/41/574787641.db2.gz FHDJTZCMXMMZLG-SECBINFHSA-N -1 3 290.327 2.400 20 5 CEBDHM CCC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736422032 574787642 /nfs/dbraw/zinc/78/76/42/574787642.db2.gz FHDJTZCMXMMZLG-SECBINFHSA-N -1 3 290.327 2.400 20 5 CEBDHM Cc1cc([N+](=O)[O-])cnc1Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826272718 608168969 /nfs/dbraw/zinc/16/89/69/608168969.db2.gz YBQSDCDPTPTKFS-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM CCC(CC)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820897806 634564698 /nfs/dbraw/zinc/56/46/98/634564698.db2.gz OGPLFDGVCUCTPW-UHFFFAOYSA-N -1 3 276.300 2.375 20 5 CEBDHM O=c1cc([C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894373984 629404010 /nfs/dbraw/zinc/40/40/10/629404010.db2.gz ZFPYFQZWNQTBPR-ZETCQYMHSA-N -1 3 280.309 2.079 20 5 CEBDHM O=c1[n-]ccc(N[C@@H](C2CCC2)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000866140141 647626625 /nfs/dbraw/zinc/62/66/25/647626625.db2.gz AIWRFAITTXYBBP-JQWIXIFHSA-N -1 3 293.323 2.313 20 5 CEBDHM O=[N+]([O-])c1cc(CSCCc2nnn[n-]2)ccc1Cl ZINC000882188913 651994490 /nfs/dbraw/zinc/99/44/90/651994490.db2.gz VKCNCWXDFIHRDP-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM O=[N+]([O-])c1cc(CSCCc2nn[n-]n2)ccc1Cl ZINC000882188913 651994492 /nfs/dbraw/zinc/99/44/92/651994492.db2.gz VKCNCWXDFIHRDP-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM Cc1c([N-]C(=O)c2cnccn2)c(F)ccc1[N+](=O)[O-] ZINC000800143862 652662073 /nfs/dbraw/zinc/66/20/73/652662073.db2.gz IFRRVGNFCUIETR-UHFFFAOYSA-N -1 3 276.227 2.085 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC(C)C ZINC000046033770 362173170 /nfs/dbraw/zinc/17/31/70/362173170.db2.gz PDPPBIKEKWFRDZ-UHFFFAOYSA-N -1 3 286.353 2.228 20 5 CEBDHM O=C([N-]c1nc[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000023142281 343381051 /nfs/dbraw/zinc/38/10/51/343381051.db2.gz AVQOONLXFHWXDU-UHFFFAOYSA-N -1 3 289.276 2.180 20 5 CEBDHM Cc1cccc2c1CCN2C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000126806362 344326434 /nfs/dbraw/zinc/32/64/34/344326434.db2.gz YLYBUWQQAAUQPN-UHFFFAOYSA-N -1 3 299.286 2.207 20 5 CEBDHM CCn1nc(C)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596107552 345941470 /nfs/dbraw/zinc/94/14/70/345941470.db2.gz YGVWWWDZYXDZTF-UHFFFAOYSA-N -1 3 291.311 2.141 20 5 CEBDHM O=c1[n-]ccc(NCC2CCSCC2)c1[N+](=O)[O-] ZINC000596126975 345945742 /nfs/dbraw/zinc/94/57/42/345945742.db2.gz QZXQNSGKQOPLKY-UHFFFAOYSA-N -1 3 269.326 2.251 20 5 CEBDHM CO[C@@]1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596144130 345951081 /nfs/dbraw/zinc/95/10/81/345951081.db2.gz AMGPIVWVQJJINM-RNCFNFMXSA-N -1 3 281.312 2.311 20 5 CEBDHM O=c1[n-]ccc(N2CCC([C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596202052 345968170 /nfs/dbraw/zinc/96/81/70/345968170.db2.gz ACGAWWAHVFDPDT-GFCCVEGCSA-N -1 3 293.323 2.091 20 5 CEBDHM C[C@@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000596250547 345980590 /nfs/dbraw/zinc/98/05/90/345980590.db2.gz FNYOTKMJXBIMIF-RSQPEXBXSA-N -1 3 287.319 2.344 20 5 CEBDHM COCC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596270059 345987034 /nfs/dbraw/zinc/98/70/34/345987034.db2.gz CHCVXHGNRFWYCP-UHFFFAOYSA-N -1 3 281.312 2.313 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CC(C)C1 ZINC000598623806 346386994 /nfs/dbraw/zinc/38/69/94/346386994.db2.gz SFACBWJICNQNPI-UHFFFAOYSA-N -1 3 298.364 2.228 20 5 CEBDHM O=c1[n-]ccc(N[C@@H](C2CCC2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000601250746 346802047 /nfs/dbraw/zinc/80/20/47/346802047.db2.gz QUUCBXKNCOYWMB-RYUDHWBXSA-N -1 3 293.323 2.455 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCCc1nnn[n-]1 ZINC000603337231 347342732 /nfs/dbraw/zinc/34/27/32/347342732.db2.gz CVBCKXRHUGZTTE-VIFPVBQESA-N -1 3 293.352 2.453 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCCc1nn[n-]n1 ZINC000603337231 347342733 /nfs/dbraw/zinc/34/27/33/347342733.db2.gz CVBCKXRHUGZTTE-VIFPVBQESA-N -1 3 293.352 2.453 20 5 CEBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C)o2)c1 ZINC000610661737 347699641 /nfs/dbraw/zinc/69/96/41/347699641.db2.gz FWUZGSKTKOXZNW-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122647125 187043653 /nfs/dbraw/zinc/04/36/53/187043653.db2.gz KVDYARIEJCLYAV-ZCFIWIBFSA-N -1 3 278.355 2.042 20 5 CEBDHM O=C([N-]OCC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000292333408 198247559 /nfs/dbraw/zinc/24/75/59/198247559.db2.gz NUUVDIWYTRBNSU-UHFFFAOYSA-N -1 3 251.242 2.058 20 5 CEBDHM CCC[C@H](C)[C@@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000570336075 314034571 /nfs/dbraw/zinc/03/45/71/314034571.db2.gz SFDWCIZYCMGHNW-GXFFZTMASA-N -1 3 282.340 2.187 20 5 CEBDHM O=C([N-]OC1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000135690002 366468397 /nfs/dbraw/zinc/46/83/97/366468397.db2.gz CRAJUJCXFRJEHD-UHFFFAOYSA-N -1 3 268.244 2.338 20 5 CEBDHM Cc1c(NC([O-])=NOC(C)C)cccc1[N+](=O)[O-] ZINC000297355688 200160052 /nfs/dbraw/zinc/16/00/52/200160052.db2.gz DNSATXJZTDCDSJ-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM Cc1c(NC(=O)[N-]OC(C)C)cccc1[N+](=O)[O-] ZINC000297355688 200160054 /nfs/dbraw/zinc/16/00/54/200160054.db2.gz DNSATXJZTDCDSJ-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM CN(C)CCn1cc([N-]c2sccc2[N+](=O)[O-])cn1 ZINC000302006756 201295044 /nfs/dbraw/zinc/29/50/44/201295044.db2.gz VXECJKRBRDCDSP-UHFFFAOYSA-N -1 3 281.341 2.158 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)[O-])C1 ZINC000086728884 363839309 /nfs/dbraw/zinc/83/93/09/363839309.db2.gz AMXAEIWHDQEUKW-QWRGUYRKSA-N -1 3 278.308 2.452 20 5 CEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174897637 368077223 /nfs/dbraw/zinc/07/72/23/368077223.db2.gz PSMTUUGUWGRBFC-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000221545145 370241759 /nfs/dbraw/zinc/24/17/59/370241759.db2.gz RGRFDOIHYWSSOG-GBIKHYSHSA-N -1 3 278.308 2.451 20 5 CEBDHM CN(C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000560004346 376704644 /nfs/dbraw/zinc/70/46/44/376704644.db2.gz SSEUBQAZRMOXPN-UHFFFAOYSA-N -1 3 288.307 2.237 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000293839874 377783657 /nfs/dbraw/zinc/78/36/57/377783657.db2.gz WLBALZNPOYWWLI-MRVPVSSYSA-N -1 3 297.267 2.211 20 5 CEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]OCC1CC1 ZINC000293809840 377767168 /nfs/dbraw/zinc/76/71/68/377767168.db2.gz QMEIKHSKYFQCEU-UHFFFAOYSA-N -1 3 280.280 2.065 20 5 CEBDHM CC(C)O[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000294047052 377885252 /nfs/dbraw/zinc/88/52/52/377885252.db2.gz JDAXFUBCBSFNPY-UHFFFAOYSA-N -1 3 258.661 2.318 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OC1CCC1 ZINC000493065034 380783533 /nfs/dbraw/zinc/78/35/33/380783533.db2.gz PDPMDPWBUUXDLU-HJWRWDBZSA-N -1 3 262.265 2.208 20 5 CEBDHM CC(C)=CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000359990860 220277207 /nfs/dbraw/zinc/27/72/07/220277207.db2.gz DZDOZJNSGBRGFJ-UHFFFAOYSA-N -1 3 284.337 2.148 20 5 CEBDHM CCC(CC)(CCO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000337854060 394901810 /nfs/dbraw/zinc/90/18/10/394901810.db2.gz KJVBWEHBSFOLKJ-UHFFFAOYSA-N -1 3 282.340 2.331 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CC2)cc1C ZINC000173766056 165081499 /nfs/dbraw/zinc/08/14/99/165081499.db2.gz UXXJRYSRKXACIN-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM CCCN(CC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038021869 174002123 /nfs/dbraw/zinc/00/21/23/174002123.db2.gz NKXHFICBTBSWEM-UHFFFAOYSA-N -1 3 270.260 2.031 20 5 CEBDHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccccc1[N+](=O)[O-] ZINC000397479667 270354541 /nfs/dbraw/zinc/35/45/41/270354541.db2.gz CXMTYOLXWHTSTM-CMPLNLGQSA-N -1 3 278.308 2.280 20 5 CEBDHM Cc1cccc(C(=O)[N-]c2nc3ccccn3n2)c1[N+](=O)[O-] ZINC000133270480 279994451 /nfs/dbraw/zinc/99/44/51/279994451.db2.gz FLAKDJBJHAHIGM-UHFFFAOYSA-N -1 3 297.274 2.198 20 5 CEBDHM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2C)on1 ZINC000026360004 280366826 /nfs/dbraw/zinc/36/68/26/280366826.db2.gz JUCCYBCNIGPYGM-UHFFFAOYSA-N -1 3 261.237 2.452 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCCC2)cc1C ZINC000048840317 301426832 /nfs/dbraw/zinc/42/68/32/301426832.db2.gz MMKCOOZYBBZWNR-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C ZINC000104762578 302048413 /nfs/dbraw/zinc/04/84/13/302048413.db2.gz PFPHOBSVXSEIQG-MWLCHTKSSA-N -1 3 298.364 2.370 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC1(C)C ZINC000344817317 302049627 /nfs/dbraw/zinc/04/96/27/302049627.db2.gz WYXJTASPLXDWMZ-NSHDSACASA-N -1 3 298.364 2.370 20 5 CEBDHM Nc1c(Cl)cc(C(=O)[N-]c2cnoc2)cc1[N+](=O)[O-] ZINC000061685994 527431117 /nfs/dbraw/zinc/43/11/17/527431117.db2.gz JLWJFBITSQBZEL-UHFFFAOYSA-N -1 3 282.643 2.071 20 5 CEBDHM CN(C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739665919 574930220 /nfs/dbraw/zinc/93/02/20/574930220.db2.gz OPUXRNRHMUERKL-GFCCVEGCSA-N -1 3 293.323 2.027 20 5 CEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cncc([O-])c1 ZINC000746984043 575165922 /nfs/dbraw/zinc/16/59/22/575165922.db2.gz VJNZLFQKQIENSE-UHFFFAOYSA-N -1 3 292.222 2.192 20 5 CEBDHM O=C([N-]c1cccc2nonc21)c1csc([N+](=O)[O-])c1 ZINC000752956636 575317203 /nfs/dbraw/zinc/31/72/03/575317203.db2.gz ZYKLCYGRRWDNCR-UHFFFAOYSA-N -1 3 290.260 2.445 20 5 CEBDHM Cc1cnc(Oc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000822399567 599105273 /nfs/dbraw/zinc/10/52/73/599105273.db2.gz JRZLTVIXZABMMI-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1ccc([C@H](C)NCCN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830257989 604953434 /nfs/dbraw/zinc/95/34/34/604953434.db2.gz YUMFYXAHSKNDBZ-JTQLQIEISA-N -1 3 281.312 2.164 20 5 CEBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCC1 ZINC000824650643 607904579 /nfs/dbraw/zinc/90/45/79/607904579.db2.gz UFIVMVDPLDFQJK-MRVPVSSYSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCC1 ZINC000824650643 607904580 /nfs/dbraw/zinc/90/45/80/607904580.db2.gz UFIVMVDPLDFQJK-MRVPVSSYSA-N -1 3 288.311 2.375 20 5 CEBDHM O=c1cc([C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894377906 629409103 /nfs/dbraw/zinc/40/91/03/629409103.db2.gz SOSPHJRSHUCBDV-VIFPVBQESA-N -1 3 274.280 2.017 20 5 CEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]OC1CCC1 ZINC000812796506 632583494 /nfs/dbraw/zinc/58/34/94/632583494.db2.gz RTJMYYKNZDFQQR-UHFFFAOYSA-N -1 3 289.291 2.219 20 5 CEBDHM COC(=O)CCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853159746 643680760 /nfs/dbraw/zinc/68/07/60/643680760.db2.gz MHMZYHCNXFRLEA-UHFFFAOYSA-N -1 3 297.311 2.231 20 5 CEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc2nn[n-]c21 ZINC000790074666 648378533 /nfs/dbraw/zinc/37/85/33/648378533.db2.gz RMUMAYLTTCOQMO-UHFFFAOYSA-N -1 3 298.258 2.223 20 5 CEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc2[n-]nnc21 ZINC000790074666 648378539 /nfs/dbraw/zinc/37/85/39/648378539.db2.gz RMUMAYLTTCOQMO-UHFFFAOYSA-N -1 3 298.258 2.223 20 5 CEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000790074666 648378550 /nfs/dbraw/zinc/37/85/50/648378550.db2.gz RMUMAYLTTCOQMO-UHFFFAOYSA-N -1 3 298.258 2.223 20 5 CEBDHM O=C([O-])C1CC(NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000871884134 649206290 /nfs/dbraw/zinc/20/62/90/649206290.db2.gz KJIAOPSHHNCLLM-UHFFFAOYSA-N -1 3 284.699 2.201 20 5 CEBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3CCCO3)[n-]c2c1 ZINC001227744182 805970739 /nfs/dbraw/zinc/97/07/39/805970739.db2.gz DOLZITFWWOOBPE-VIFPVBQESA-N -1 3 263.253 2.029 20 5 CEBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3CCCO3)nc2c1 ZINC001227744182 805970743 /nfs/dbraw/zinc/97/07/43/805970743.db2.gz DOLZITFWWOOBPE-VIFPVBQESA-N -1 3 263.253 2.029 20 5 CEBDHM O=[N+]([O-])c1ccnc(Cl)c1NCc1ncccc1[O-] ZINC001169734453 811652707 /nfs/dbraw/zinc/65/27/07/811652707.db2.gz ZWQNBRVQFTZGIY-UHFFFAOYSA-N -1 3 280.671 2.356 20 5 CEBDHM CCn1ccnc1NCc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000414308171 529586703 /nfs/dbraw/zinc/58/67/03/529586703.db2.gz VYENUEYUWXXSGC-UHFFFAOYSA-N -1 3 292.295 2.138 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227826244 344557020 /nfs/dbraw/zinc/55/70/20/344557020.db2.gz QDSDIQJAWRKWQH-HZMBPMFUSA-N -1 3 278.308 2.452 20 5 CEBDHM C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000229294676 344564894 /nfs/dbraw/zinc/56/48/94/344564894.db2.gz HRFUHUKWUAYCIK-ZWNOBZJWSA-N -1 3 278.308 2.280 20 5 CEBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594857506 345691937 /nfs/dbraw/zinc/69/19/37/345691937.db2.gz IOJYHLCUMJVJGX-SNVBAGLBSA-N -1 3 284.337 2.062 20 5 CEBDHM CCOc1cc(CN(C)[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000595280647 345753747 /nfs/dbraw/zinc/75/37/47/345753747.db2.gz SFTMMVDLTSBQDF-SNVBAGLBSA-N -1 3 296.323 2.289 20 5 CEBDHM O=c1[n-]ccc(NCCC[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000596167513 345958023 /nfs/dbraw/zinc/95/80/23/345958023.db2.gz IQOQVVBTCJAZNO-CMPLNLGQSA-N -1 3 295.339 2.439 20 5 CEBDHM O=c1[n-]ccc(N2CCC(C(F)F)CC2)c1[N+](=O)[O-] ZINC000596167952 345958327 /nfs/dbraw/zinc/95/83/27/345958327.db2.gz JJEDPAKYELXGKE-UHFFFAOYSA-N -1 3 273.239 2.177 20 5 CEBDHM O=c1[n-]ccc(N2CCC3(CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596226487 345974512 /nfs/dbraw/zinc/97/45/12/345974512.db2.gz PXBKGBPCECYYMH-UHFFFAOYSA-N -1 3 293.323 2.092 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000596261285 345984111 /nfs/dbraw/zinc/98/41/11/345984111.db2.gz DLYCRQMLBRROGM-ZDUSSCGKSA-N -1 3 295.364 2.419 20 5 CEBDHM O=c1[n-]ccc(NCC2(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000596193710 345966519 /nfs/dbraw/zinc/96/65/19/345966519.db2.gz MVPFAWCKMRDUTO-UHFFFAOYSA-N -1 3 286.291 2.234 20 5 CEBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cncs1 ZINC000339193215 215003242 /nfs/dbraw/zinc/00/32/42/215003242.db2.gz BPCNGUXLEOKFAK-UHFFFAOYSA-N -1 3 267.241 2.443 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CCc3cccnc32)c1[N+](=O)[O-] ZINC000598946439 346435611 /nfs/dbraw/zinc/43/56/11/346435611.db2.gz RURDPXHJIVUIOA-SNVBAGLBSA-N -1 3 286.291 2.232 20 5 CEBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613466612 348053878 /nfs/dbraw/zinc/05/38/78/348053878.db2.gz VTBQBWLQXNYWCA-SSDOTTSWSA-N -1 3 292.382 2.432 20 5 CEBDHM CCCS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000070237946 363059126 /nfs/dbraw/zinc/05/91/26/363059126.db2.gz YMMQKNJNTOQZCS-UHFFFAOYSA-N -1 3 258.299 2.055 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)C)cc1[N+](=O)[O-] ZINC000122673633 187045045 /nfs/dbraw/zinc/04/50/45/187045045.db2.gz SHSIAXLOZYUTKQ-UHFFFAOYSA-N -1 3 278.355 2.042 20 5 CEBDHM Cc1c(CC(=O)[N-]OCC(C)C)cccc1[N+](=O)[O-] ZINC000153629177 188093913 /nfs/dbraw/zinc/09/39/13/188093913.db2.gz SPWRRCGJMMISQR-UHFFFAOYSA-N -1 3 266.297 2.150 20 5 CEBDHM CC[C@@H](C)CON=C([O-])Nc1ccncc1[N+](=O)[O-] ZINC000297682210 200260205 /nfs/dbraw/zinc/26/02/05/200260205.db2.gz GVGQSMIQCIZELF-MRVPVSSYSA-N -1 3 268.273 2.089 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297682210 200260207 /nfs/dbraw/zinc/26/02/07/200260207.db2.gz GVGQSMIQCIZELF-MRVPVSSYSA-N -1 3 268.273 2.089 20 5 CEBDHM O=C([O-])CN(Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000086748933 363838456 /nfs/dbraw/zinc/83/84/56/363838456.db2.gz UDBNGUNMOMRXGW-UHFFFAOYSA-N -1 3 284.337 2.486 20 5 CEBDHM O=C([N-]c1n[nH]c2ccc(F)cc21)c1ccc([N+](=O)[O-])o1 ZINC000342950658 367610232 /nfs/dbraw/zinc/61/02/32/367610232.db2.gz LXNMATJYWLOVKD-UHFFFAOYSA-N -1 3 290.210 2.456 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]CC2CCC2)cc1[N+](=O)[O-] ZINC000343494343 367845846 /nfs/dbraw/zinc/84/58/46/367845846.db2.gz DWNJQWUACHQNNS-UHFFFAOYSA-N -1 3 290.366 2.043 20 5 CEBDHM COC(=O)c1cnc(SCc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000187588456 369184089 /nfs/dbraw/zinc/18/40/89/369184089.db2.gz QHFBHAQXYOJBMP-UHFFFAOYSA-N -1 3 293.304 2.397 20 5 CEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2nn[n-]c21 ZINC000189505923 369528412 /nfs/dbraw/zinc/52/84/12/369528412.db2.gz SCFZCEROEMWILL-UHFFFAOYSA-N -1 3 283.247 2.118 20 5 CEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2[n-]nnc21 ZINC000189505923 369528415 /nfs/dbraw/zinc/52/84/15/369528415.db2.gz SCFZCEROEMWILL-UHFFFAOYSA-N -1 3 283.247 2.118 20 5 CEBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000189505923 369528421 /nfs/dbraw/zinc/52/84/21/369528421.db2.gz SCFZCEROEMWILL-UHFFFAOYSA-N -1 3 283.247 2.118 20 5 CEBDHM C[C@H](CC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000362347574 372324461 /nfs/dbraw/zinc/32/44/61/372324461.db2.gz XHDCNZQPEVGTFV-SSDOTTSWSA-N -1 3 272.688 2.201 20 5 CEBDHM Cc1nc([N-]C(=O)c2cc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC000282485558 375495565 /nfs/dbraw/zinc/49/55/65/375495565.db2.gz VQLHSQRDTYNOIX-UHFFFAOYSA-N -1 3 288.263 2.416 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000564336627 377379662 /nfs/dbraw/zinc/37/96/62/377379662.db2.gz CGMFXHPFYUBBIU-MNOVXSKESA-N -1 3 278.308 2.371 20 5 CEBDHM O=C([N-]OCC1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293680771 377696443 /nfs/dbraw/zinc/69/64/43/377696443.db2.gz AZQOTKMIXJZLTJ-UHFFFAOYSA-N -1 3 270.672 2.320 20 5 CEBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCCCF)c1 ZINC000294212567 377942826 /nfs/dbraw/zinc/94/28/26/377942826.db2.gz MQCDSZSHRIDWCO-UHFFFAOYSA-N -1 3 276.289 2.086 20 5 CEBDHM CC(C)O[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000295490597 378181210 /nfs/dbraw/zinc/18/12/10/378181210.db2.gz FQIIONMZNABXIP-UHFFFAOYSA-N -1 3 277.280 2.075 20 5 CEBDHM CC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000048840168 394532702 /nfs/dbraw/zinc/53/27/02/394532702.db2.gz CJUOOXGPMMQDSV-JTQLQIEISA-N -1 3 286.353 2.288 20 5 CEBDHM Cc1cccc(F)c1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000355970853 394540008 /nfs/dbraw/zinc/54/00/08/394540008.db2.gz BDJHQNVKUULCID-UHFFFAOYSA-N -1 3 278.243 2.028 20 5 CEBDHM COc1ccc([N-]C(=O)c2coc(C)n2)c([N+](=O)[O-])c1 ZINC000190574375 395340028 /nfs/dbraw/zinc/34/00/28/395340028.db2.gz UOPWNAUYIQMESK-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM CC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000420711778 395409357 /nfs/dbraw/zinc/40/93/57/395409357.db2.gz ZKOSPRCNACWNBL-QMMMGPOBSA-N -1 3 290.316 2.058 20 5 CEBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc([O-])c1 ZINC000182148123 165366370 /nfs/dbraw/zinc/36/63/70/165366370.db2.gz QLQFENVTKAKVSK-UHFFFAOYSA-N -1 3 272.260 2.230 20 5 CEBDHM O=C([N-]c1cc(F)ccc1O)c1ccc([N+](=O)[O-])o1 ZINC000179650510 312753299 /nfs/dbraw/zinc/75/32/99/312753299.db2.gz PTBQJJAZKWAWRB-UHFFFAOYSA-N -1 3 266.184 2.285 20 5 CEBDHM O=C(Nc1cccc([O-])c1F)c1ccc([N+](=O)[O-])cn1 ZINC000536464708 313403054 /nfs/dbraw/zinc/40/30/54/313403054.db2.gz VOKJAMPOYUNBRF-UHFFFAOYSA-N -1 3 277.211 2.087 20 5 CEBDHM Cc1cc(C(=O)[N-]c2nc(C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000734878569 574733667 /nfs/dbraw/zinc/73/36/67/574733667.db2.gz KWEZQYORHRGMMA-UHFFFAOYSA-N -1 3 288.263 2.416 20 5 CEBDHM CC(C)(CC(=O)[O-])NCc1cc(F)ccc1[N+](=O)[O-] ZINC000826538315 604444616 /nfs/dbraw/zinc/44/46/16/604444616.db2.gz PNVXNXFQENXKQA-UHFFFAOYSA-N -1 3 270.260 2.077 20 5 CEBDHM C/C(=C/CN[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833382862 605090864 /nfs/dbraw/zinc/09/08/64/605090864.db2.gz JENNCJMAMGKMBZ-ABRRARGCSA-N -1 3 264.281 2.276 20 5 CEBDHM CCCN(CC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821094043 606240127 /nfs/dbraw/zinc/24/01/27/606240127.db2.gz BOFWDXIPKDADHZ-UHFFFAOYSA-N -1 3 276.300 2.011 20 5 CEBDHM CCCN(CC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821094043 606240129 /nfs/dbraw/zinc/24/01/29/606240129.db2.gz BOFWDXIPKDADHZ-UHFFFAOYSA-N -1 3 276.300 2.011 20 5 CEBDHM Cc1c(Oc2ncccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000822128335 606430596 /nfs/dbraw/zinc/43/05/96/606430596.db2.gz BFKDCAAYRPYFNJ-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM CC[C@H](C)CSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820870341 606799343 /nfs/dbraw/zinc/79/93/43/606799343.db2.gz QUMQNPZRDIHXIJ-ZETCQYMHSA-N -1 3 294.340 2.308 20 5 CEBDHM COc1c([O-])ccc(CN[C@H](C)C(F)F)c1[N+](=O)[O-] ZINC000896038059 630447734 /nfs/dbraw/zinc/44/77/34/630447734.db2.gz ILWCRSYPGCZSHK-ZCFIWIBFSA-N -1 3 276.239 2.052 20 5 CEBDHM CC(C)(CCC(=O)[N-]OC1CCCCC1)[N+](=O)[O-] ZINC000829053046 636759973 /nfs/dbraw/zinc/75/99/73/636759973.db2.gz QGDBPDKFVAPBMB-UHFFFAOYSA-N -1 3 258.318 2.202 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880503327 651451572 /nfs/dbraw/zinc/45/15/72/651451572.db2.gz OTQJOULQQHLVNK-CABCVRRESA-N -1 3 292.335 2.492 20 5 CEBDHM CS[C@@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000695457497 803686918 /nfs/dbraw/zinc/68/69/18/803686918.db2.gz GEVPKMSBFKJQSH-HTQZYQBOSA-N -1 3 269.326 2.391 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]C2CC(C)C2)c([N+](=O)[O-])s1 ZINC000601363549 346827634 /nfs/dbraw/zinc/82/76/34/346827634.db2.gz RALCSGZHWUIHCM-UHFFFAOYSA-N -1 3 290.366 2.042 20 5 CEBDHM O=C(Nc1nccs1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000045269295 343482551 /nfs/dbraw/zinc/48/25/51/343482551.db2.gz FITAYOTWTNIYSZ-UHFFFAOYSA-N -1 3 289.276 2.180 20 5 CEBDHM O=[N+]([O-])c1ccc(CNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000115653102 344283856 /nfs/dbraw/zinc/28/38/56/344283856.db2.gz ISTHBYDXLREFCO-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM O=[N+]([O-])c1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000115653102 344283859 /nfs/dbraw/zinc/28/38/59/344283859.db2.gz ISTHBYDXLREFCO-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccccc21 ZINC000126947795 344326965 /nfs/dbraw/zinc/32/69/65/344326965.db2.gz MJGPAHXZTJHHTC-VIFPVBQESA-N -1 3 299.286 2.459 20 5 CEBDHM CCCC(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000051163617 362426634 /nfs/dbraw/zinc/42/66/34/362426634.db2.gz RPJZJQCEEASATE-UHFFFAOYSA-N -1 3 286.353 2.452 20 5 CEBDHM CN(Cc1ccccc1[N+](=O)[O-])Cc1ncccc1[O-] ZINC000589158408 345068105 /nfs/dbraw/zinc/06/81/05/345068105.db2.gz MEXFKACIMFBXFY-UHFFFAOYSA-N -1 3 273.292 2.327 20 5 CEBDHM C[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736389 345530492 /nfs/dbraw/zinc/53/04/92/345530492.db2.gz LRASEERIDDEPDQ-SECBINFHSA-N -1 3 264.281 2.277 20 5 CEBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])s1 ZINC000596171668 345959286 /nfs/dbraw/zinc/95/92/86/345959286.db2.gz OYVRMBAPUYOGQZ-UHFFFAOYSA-N -1 3 292.320 2.023 20 5 CEBDHM CC(C)c1nnc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])n1C ZINC000596109442 345942046 /nfs/dbraw/zinc/94/20/46/345942046.db2.gz QQYFQQRKYDDHIY-UHFFFAOYSA-N -1 3 295.324 2.099 20 5 CEBDHM CCCc1ncc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596258048 345982854 /nfs/dbraw/zinc/98/28/54/345982854.db2.gz PFTUGQUPQZRDJM-UHFFFAOYSA-N -1 3 278.268 2.248 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000596286490 345991565 /nfs/dbraw/zinc/99/15/65/345991565.db2.gz LFCBNHHPGGJYOV-LLVKDONJSA-N -1 3 286.291 2.084 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@H](CCF)C2)c1[N+](=O)[O-] ZINC000596477523 346033325 /nfs/dbraw/zinc/03/33/25/346033325.db2.gz FFXSEBYPDCPXSE-SECBINFHSA-N -1 3 269.276 2.271 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@H]3CC[C@@H](C2)S3)c1[N+](=O)[O-] ZINC000599134705 346464967 /nfs/dbraw/zinc/46/49/67/346464967.db2.gz OBGZTMKWMRPTDV-BDAKNGLRSA-N -1 3 281.337 2.170 20 5 CEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])cc1F ZINC000070333201 363072909 /nfs/dbraw/zinc/07/29/09/363072909.db2.gz NBMPVAJFWWRABX-UHFFFAOYSA-N -1 3 279.227 2.030 20 5 CEBDHM CC/C=C/C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451768611 283099008 /nfs/dbraw/zinc/09/90/08/283099008.db2.gz AMOMLIHCFZXWCC-AATRIKPKSA-N -1 3 298.364 2.456 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]C2(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000339038095 366626348 /nfs/dbraw/zinc/62/63/48/366626348.db2.gz LZJQNIZIXKAJEU-UHFFFAOYSA-N -1 3 298.364 2.370 20 5 CEBDHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000236963366 370667225 /nfs/dbraw/zinc/66/72/25/370667225.db2.gz PBUSIAYYMUULTG-VIFPVBQESA-N -1 3 284.287 2.419 20 5 CEBDHM COc1cc(CN[C@@H]2CCC[C@@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000339583238 366709203 /nfs/dbraw/zinc/70/92/03/366709203.db2.gz HMEBOMFIRAJTSM-VHSXEESVSA-N -1 3 284.287 2.289 20 5 CEBDHM Cc1cc(NCc2cnc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC000343592285 367903520 /nfs/dbraw/zinc/90/35/20/367903520.db2.gz KRBFBQULBVPFJA-UHFFFAOYSA-N -1 3 274.280 2.319 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2F)n1 ZINC000191448651 369714511 /nfs/dbraw/zinc/71/45/11/369714511.db2.gz NSDDRIMWFYNGHA-UHFFFAOYSA-N -1 3 278.243 2.203 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000352487219 369753468 /nfs/dbraw/zinc/75/34/68/369753468.db2.gz BGURFEFDKLCQOG-SNVBAGLBSA-N -1 3 298.364 2.228 20 5 CEBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2Cl)cnn1C ZINC000362560087 372426605 /nfs/dbraw/zinc/42/66/05/372426605.db2.gz KEBQAYKVRGAGQH-UHFFFAOYSA-N -1 3 267.676 2.429 20 5 CEBDHM COc1cc(CNC2CC(F)(F)C2)c([N+](=O)[O-])cc1[O-] ZINC000277675690 374606137 /nfs/dbraw/zinc/60/61/37/374606137.db2.gz PGTFHGDMYLOZBL-UHFFFAOYSA-N -1 3 288.250 2.196 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1CN(CC(=O)[O-])CC(C)C ZINC000563282120 377157241 /nfs/dbraw/zinc/15/72/41/377157241.db2.gz DXVUWCFFCLTNJU-UHFFFAOYSA-N -1 3 296.323 2.146 20 5 CEBDHM CCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000566015077 395495753 /nfs/dbraw/zinc/49/57/53/395495753.db2.gz HKMOBXSWBJELIU-UHFFFAOYSA-N -1 3 296.323 2.289 20 5 CEBDHM C[C@@H]1CSC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339193137 297188260 /nfs/dbraw/zinc/18/82/60/297188260.db2.gz SFHAGRPEKCUZHX-KCJUWKMLSA-N -1 3 268.338 2.142 20 5 CEBDHM Cc1c(CN2CCC(C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000035649616 172326011 /nfs/dbraw/zinc/32/60/11/172326011.db2.gz AUZJOTSSUKFGAH-UHFFFAOYSA-N -1 3 278.308 2.200 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000447635953 281852276 /nfs/dbraw/zinc/85/22/76/281852276.db2.gz FLSQHYNAGIGSGB-UHFFFAOYSA-N -1 3 287.275 2.185 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000532113730 313340817 /nfs/dbraw/zinc/34/08/17/313340817.db2.gz VRLNRMNNGRYLEM-UHFFFAOYSA-N -1 3 296.348 2.124 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN(C[C@H]1CCOC1)C1CC1 ZINC000577001413 314331459 /nfs/dbraw/zinc/33/14/59/314331459.db2.gz UHSFISHVPADLQN-LLVKDONJSA-N -1 3 292.335 2.301 20 5 CEBDHM C[C@@H](C(=O)[O-])N(Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000580904515 322354042 /nfs/dbraw/zinc/35/40/42/322354042.db2.gz VRLPXHOGIAFNFR-QMMMGPOBSA-N -1 3 284.337 2.484 20 5 CEBDHM CCC(CC)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736346197 574783926 /nfs/dbraw/zinc/78/39/26/574783926.db2.gz ULRASBLBASOFMD-UHFFFAOYSA-N -1 3 291.315 2.018 20 5 CEBDHM CCC(CC)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736346197 574783927 /nfs/dbraw/zinc/78/39/27/574783927.db2.gz ULRASBLBASOFMD-UHFFFAOYSA-N -1 3 291.315 2.018 20 5 CEBDHM Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737362144 574830531 /nfs/dbraw/zinc/83/05/31/574830531.db2.gz OESLMRUFJIHQFR-UHFFFAOYSA-N -1 3 297.278 2.222 20 5 CEBDHM Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737362144 574830532 /nfs/dbraw/zinc/83/05/32/574830532.db2.gz OESLMRUFJIHQFR-UHFFFAOYSA-N -1 3 297.278 2.222 20 5 CEBDHM O=C([O-])[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000821511644 598129753 /nfs/dbraw/zinc/12/97/53/598129753.db2.gz OCJJLZJHADWTLT-KTLBGCOUSA-N -1 3 276.292 2.015 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CNC(=O)[O-])C1 ZINC000825638764 604042560 /nfs/dbraw/zinc/04/25/60/604042560.db2.gz OOUKMCBILNTDKJ-GHMZBOCLSA-N -1 3 293.323 2.245 20 5 CEBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OC1CCC1 ZINC000821221216 634659919 /nfs/dbraw/zinc/65/99/19/634659919.db2.gz IMQMKTRDKWNFEI-UHFFFAOYSA-N -1 3 282.271 2.267 20 5 CEBDHM C[C@@H]1CNc2c([N-]c3ncc([N+](=O)[O-])cc3F)cnn2C1 ZINC000894948158 629762394 /nfs/dbraw/zinc/76/23/94/629762394.db2.gz KRJZSHNHWFVQLW-SSDOTTSWSA-N -1 3 292.274 2.131 20 5 CEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OC1CCC1 ZINC000812791264 632581249 /nfs/dbraw/zinc/58/12/49/632581249.db2.gz QSAFLVTXOYMOKI-UHFFFAOYSA-N -1 3 264.281 2.128 20 5 CEBDHM Cc1nonc1[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000060855113 639657782 /nfs/dbraw/zinc/65/77/82/639657782.db2.gz BMGVRQBDEZMRPZ-UHFFFAOYSA-N -1 3 282.643 2.192 20 5 CEBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000846219134 641226834 /nfs/dbraw/zinc/22/68/34/641226834.db2.gz IFNQXBUVHGUYDM-UHFFFAOYSA-N -1 3 282.271 2.124 20 5 CEBDHM O=c1[n-]ccc(N2CCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000853393604 643762079 /nfs/dbraw/zinc/76/20/79/643762079.db2.gz MXVZXVRNOVMNHQ-UHFFFAOYSA-N -1 3 263.297 2.466 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000853717311 643875766 /nfs/dbraw/zinc/87/57/66/643875766.db2.gz ZBDRAIDUQZJRSP-LLVKDONJSA-N -1 3 285.250 2.321 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CC[C@@H](C3CC3)O2)c1[N+](=O)[O-] ZINC000722321527 804282616 /nfs/dbraw/zinc/28/26/16/804282616.db2.gz MWABGTIVENMQRO-KOLCDFICSA-N -1 3 279.296 2.065 20 5 CEBDHM Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000121301266 365548532 /nfs/dbraw/zinc/54/85/32/365548532.db2.gz LZXYOCQTUGNZJR-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000121301266 365548535 /nfs/dbraw/zinc/54/85/35/365548535.db2.gz LZXYOCQTUGNZJR-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1ccc([N-]C(=O)c2cnns2)cc1[N+](=O)[O-] ZINC000047412631 362206648 /nfs/dbraw/zinc/20/66/48/362206648.db2.gz IURKZAWAASDKQK-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000157544315 344447375 /nfs/dbraw/zinc/44/73/75/344447375.db2.gz PHHGWXBVYFMWSH-VIFPVBQESA-N -1 3 284.337 2.062 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCNCc2ccccc21 ZINC000593725183 345527891 /nfs/dbraw/zinc/52/78/91/345527891.db2.gz HGHHHBRQTWNALG-UHFFFAOYSA-N -1 3 299.330 2.410 20 5 CEBDHM C[C@@H](CO)[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595674590 345844876 /nfs/dbraw/zinc/84/48/76/345844876.db2.gz LUKAVKWFWKPAAY-SMDDNHRTSA-N -1 3 294.351 2.283 20 5 CEBDHM O=c1[n-]ccc(NCCSCC(F)(F)F)c1[N+](=O)[O-] ZINC000596183303 345962582 /nfs/dbraw/zinc/96/25/82/345962582.db2.gz XQLKUABBVZVCTR-UHFFFAOYSA-N -1 3 297.258 2.403 20 5 CEBDHM O=c1[n-]ccc(NC[C@H](O)C2CCCCC2)c1[N+](=O)[O-] ZINC000596108833 345941460 /nfs/dbraw/zinc/94/14/60/345941460.db2.gz QVIQDAJYXZIWLF-NSHDSACASA-N -1 3 281.312 2.049 20 5 CEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)S1 ZINC000596138769 345949410 /nfs/dbraw/zinc/94/94/10/345949410.db2.gz NLLLVQCULLENQV-OCAPTIKFSA-N -1 3 269.326 2.026 20 5 CEBDHM CCn1ccnc1[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596258140 345982819 /nfs/dbraw/zinc/98/28/19/345982819.db2.gz VBWAVKVMSXFMIS-QMMMGPOBSA-N -1 3 277.284 2.085 20 5 CEBDHM CO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000596271671 345987431 /nfs/dbraw/zinc/98/74/31/345987431.db2.gz SDWUCWNZIUHCKE-NXEZZACHSA-N -1 3 279.296 2.065 20 5 CEBDHM CC1(CC(F)F)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596287494 345991627 /nfs/dbraw/zinc/99/16/27/345991627.db2.gz VYLKOIZZRWXCHZ-UHFFFAOYSA-N -1 3 273.239 2.177 20 5 CEBDHM CC(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000356299222 370648370 /nfs/dbraw/zinc/64/83/70/370648370.db2.gz SZQKEROANJUHES-RXMQYKEDSA-N -1 3 278.186 2.437 20 5 CEBDHM CCc1nn(C)cc1[N-]c1ncc(C)cc1[N+](=O)[O-] ZINC000091026406 180089659 /nfs/dbraw/zinc/08/96/59/180089659.db2.gz OSBBMJAJYYYDPX-UHFFFAOYSA-N -1 3 261.285 2.338 20 5 CEBDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104761406 186020835 /nfs/dbraw/zinc/02/08/35/186020835.db2.gz WIJWBNSZXBZBPC-NXEZZACHSA-N -1 3 284.337 2.062 20 5 CEBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cncs1 ZINC000352102038 219320876 /nfs/dbraw/zinc/32/08/76/219320876.db2.gz HLUWFOCCVMCHIB-UHFFFAOYSA-N -1 3 267.241 2.443 20 5 CEBDHM CC(C)CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000135323417 366427603 /nfs/dbraw/zinc/42/76/03/366427603.db2.gz CSLGRICFTUZWCS-UHFFFAOYSA-N -1 3 256.233 2.051 20 5 CEBDHM C[C@@]1(C(=O)[O-])CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000079487989 363608181 /nfs/dbraw/zinc/60/81/81/363608181.db2.gz LWBMHCQAJGHYKI-ZDUSSCGKSA-N -1 3 264.281 2.034 20 5 CEBDHM COCc1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000348014579 368858046 /nfs/dbraw/zinc/85/80/46/368858046.db2.gz PCDXSJLAFANPTR-UHFFFAOYSA-N -1 3 295.226 2.121 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CC1(C)C ZINC000352470266 369745128 /nfs/dbraw/zinc/74/51/28/369745128.db2.gz IJUBKKQXMNZRPZ-SNVBAGLBSA-N -1 3 298.364 2.228 20 5 CEBDHM O=C([O-])CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262771369 371908392 /nfs/dbraw/zinc/90/83/92/371908392.db2.gz MGDWSBHMDMSWPI-UHFFFAOYSA-N -1 3 278.308 2.424 20 5 CEBDHM CCCc1csc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000271052457 373092363 /nfs/dbraw/zinc/09/23/63/373092363.db2.gz WZJGAFHBPHXCQS-UHFFFAOYSA-N -1 3 295.324 2.288 20 5 CEBDHM O=C(Nc1ncccc1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000344950055 217364081 /nfs/dbraw/zinc/36/40/81/217364081.db2.gz BWJDRVSLYKZXLS-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM CSCCON=C([O-])Nc1cccc([N+](=O)[O-])c1 ZINC000280538674 375238027 /nfs/dbraw/zinc/23/80/27/375238027.db2.gz ODHUUCMGFVWMLY-UHFFFAOYSA-N -1 3 271.298 2.011 20 5 CEBDHM CSCCO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280538674 375238033 /nfs/dbraw/zinc/23/80/33/375238033.db2.gz ODHUUCMGFVWMLY-UHFFFAOYSA-N -1 3 271.298 2.011 20 5 CEBDHM CCO[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000264219552 190097335 /nfs/dbraw/zinc/09/73/35/190097335.db2.gz VYEWAARXYBRPLO-UHFFFAOYSA-N -1 3 286.309 2.007 20 5 CEBDHM CCc1[n-][nH]c(=NC(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000563409387 377211783 /nfs/dbraw/zinc/21/17/83/377211783.db2.gz WWKVCAGHENVZON-UHFFFAOYSA-N -1 3 288.307 2.171 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000292224961 377231923 /nfs/dbraw/zinc/23/19/23/377231923.db2.gz ZRXGSWUAARIPMG-QMMMGPOBSA-N -1 3 270.260 2.441 20 5 CEBDHM CC(C)c1scnc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000519566879 379437714 /nfs/dbraw/zinc/43/77/14/379437714.db2.gz KEMMCSWXCAQOSB-UHFFFAOYSA-N -1 3 281.297 2.150 20 5 CEBDHM O=c1[n-]c(Cc2ccccc2[N+](=O)[O-])nc2cccnc12 ZINC000491605303 380337203 /nfs/dbraw/zinc/33/72/03/380337203.db2.gz UNZMWQBLKXQACX-UHFFFAOYSA-N -1 3 282.259 2.229 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000189807765 130025232 /nfs/dbraw/zinc/02/52/32/130025232.db2.gz CEWJNCIESJVHQQ-JTQLQIEISA-N -1 3 298.364 2.288 20 5 CEBDHM CN1CCC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211452103 394448370 /nfs/dbraw/zinc/44/83/70/394448370.db2.gz LGBQSLPIEBAXHB-JTQLQIEISA-N -1 3 293.323 2.047 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](CCO)CC1 ZINC000421024459 394469299 /nfs/dbraw/zinc/46/92/99/394469299.db2.gz XIYDQRTXNXEDAS-GFCCVEGCSA-N -1 3 294.351 2.285 20 5 CEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000048840165 394532814 /nfs/dbraw/zinc/53/28/14/394532814.db2.gz CJUOOXGPMMQDSV-SNVBAGLBSA-N -1 3 286.353 2.288 20 5 CEBDHM CCn1cnnc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356183918 394556284 /nfs/dbraw/zinc/55/62/84/394556284.db2.gz GSTVDOVSGKXIBS-UHFFFAOYSA-N -1 3 295.686 2.112 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000330959016 292182491 /nfs/dbraw/zinc/18/24/91/292182491.db2.gz XASHZTUSBBRVTR-LLVKDONJSA-N -1 3 296.348 2.290 20 5 CEBDHM CC(C)=CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000190249990 153119796 /nfs/dbraw/zinc/11/97/96/153119796.db2.gz PBHCRUFQUVMBPP-UHFFFAOYSA-N -1 3 298.364 2.456 20 5 CEBDHM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000263102894 154018321 /nfs/dbraw/zinc/01/83/21/154018321.db2.gz XDVVAJGQCFIXNW-GXFFZTMASA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1c(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000263110676 154022213 /nfs/dbraw/zinc/02/22/13/154022213.db2.gz BSHMCHXHQXQQHP-GXFFZTMASA-N -1 3 292.335 2.446 20 5 CEBDHM O=C([O-])[C@@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263406673 154080887 /nfs/dbraw/zinc/08/08/87/154080887.db2.gz KAOWZRWEGLVHCN-YIALFULDSA-N -1 3 276.292 2.157 20 5 CEBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000339086576 287040349 /nfs/dbraw/zinc/04/03/49/287040349.db2.gz RZVUUEZOBADYBV-GHMZBOCLSA-N -1 3 280.324 2.205 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000175697124 165144171 /nfs/dbraw/zinc/14/41/71/165144171.db2.gz IKPCFBZQTASPFB-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000181265214 165336853 /nfs/dbraw/zinc/33/68/53/165336853.db2.gz UJLCHULYFXBPEM-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM COc1ccc(CN2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000035297357 172111010 /nfs/dbraw/zinc/11/10/10/172111010.db2.gz MERDNJAHHVEULI-NSHDSACASA-N -1 3 294.307 2.043 20 5 CEBDHM CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044759736 175246075 /nfs/dbraw/zinc/24/60/75/175246075.db2.gz QAQHZBUDXBENOH-UHFFFAOYSA-N -1 3 292.744 2.327 20 5 CEBDHM CC(C)(C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006615128 270223509 /nfs/dbraw/zinc/22/35/09/270223509.db2.gz MDRFYHWISBFPCP-UHFFFAOYSA-N -1 3 286.353 2.309 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000076306799 302048180 /nfs/dbraw/zinc/04/81/80/302048180.db2.gz WNWWEQMGZKPSLG-LLVKDONJSA-N -1 3 296.348 2.290 20 5 CEBDHM Cc1c([C@@H](C)N[C@@H]2CCN(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829860005 604317810 /nfs/dbraw/zinc/31/78/10/604317810.db2.gz SZAKLLUFAJFMJK-GHMZBOCLSA-N -1 3 293.323 2.306 20 5 CEBDHM C/C(=C/CN[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000833385755 605203726 /nfs/dbraw/zinc/20/37/26/605203726.db2.gz UDJXSVGSJBBBIC-RNKPRXRFSA-N -1 3 264.281 2.276 20 5 CEBDHM O=c1cc([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)[n-][nH]1 ZINC000894376929 629407485 /nfs/dbraw/zinc/40/74/85/629407485.db2.gz HXKWBZTVHSWUBU-SECBINFHSA-N -1 3 274.280 2.017 20 5 CEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OC/C=C\Cl ZINC000812402268 632524146 /nfs/dbraw/zinc/52/41/46/632524146.db2.gz DFUQHCHQZMVTRW-UQCOIBPSSA-N -1 3 284.699 2.328 20 5 CEBDHM O=C([O-])CC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC000901706801 634267812 /nfs/dbraw/zinc/26/78/12/634267812.db2.gz LYJDBAGNVLXZLW-UHFFFAOYSA-N -1 3 270.310 2.143 20 5 CEBDHM O=C([N-]c1cnoc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000060393538 639612777 /nfs/dbraw/zinc/61/27/77/639612777.db2.gz XFLVCOVXLSQNQA-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)[N+](=O)[O-])n[n-]2)o1 ZINC000851125150 642926991 /nfs/dbraw/zinc/92/69/91/642926991.db2.gz ZDPGGPGWDRSUDA-UHFFFAOYSA-N -1 3 293.279 2.190 20 5 CEBDHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)[N+](=O)[O-])[n-]n2)o1 ZINC000851125150 642926992 /nfs/dbraw/zinc/92/69/92/642926992.db2.gz ZDPGGPGWDRSUDA-UHFFFAOYSA-N -1 3 293.279 2.190 20 5 CEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OCC(F)F ZINC000760140284 645113642 /nfs/dbraw/zinc/11/36/42/645113642.db2.gz FARPHRXMQCYHOX-UHFFFAOYSA-N -1 3 294.641 2.104 20 5 CEBDHM CC(C)(CCC(=O)[N-]OCCCC(F)(F)F)[N+](=O)[O-] ZINC000871216464 649037571 /nfs/dbraw/zinc/03/75/71/649037571.db2.gz UBOOTXYBHKJRKO-UHFFFAOYSA-N -1 3 286.250 2.212 20 5 CEBDHM CC1(C)CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])OC1 ZINC000710686461 809989227 /nfs/dbraw/zinc/98/92/27/809989227.db2.gz VZOUDMYATSCRLM-VIFPVBQESA-N -1 3 281.312 2.313 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]CCC(C)C)c([N+](=O)[O-])c1 ZINC000337817655 214273433 /nfs/dbraw/zinc/27/34/33/214273433.db2.gz RTZZKCGYRWLAQU-UHFFFAOYSA-N -1 3 286.353 2.228 20 5 CEBDHM O=C(Nc1ccc2c(c1)CCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000012211570 343366634 /nfs/dbraw/zinc/36/66/34/343366634.db2.gz UARKAOQGWZAVCK-UHFFFAOYSA-N -1 3 299.286 2.436 20 5 CEBDHM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594816802 345689292 /nfs/dbraw/zinc/68/92/92/345689292.db2.gz FVRXEVFFOREQOC-SNVBAGLBSA-N -1 3 286.353 2.309 20 5 CEBDHM CC(C)[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596185414 345963523 /nfs/dbraw/zinc/96/35/23/345963523.db2.gz RITGBYZBCCYTNL-ONGXEEELSA-N -1 3 281.312 2.311 20 5 CEBDHM CC(C)C[C@@H](CCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596144623 345951151 /nfs/dbraw/zinc/95/11/51/345951151.db2.gz GPLQRLOIHOFMKI-SNVBAGLBSA-N -1 3 283.328 2.152 20 5 CEBDHM CCOC(=O)[C@H](CC)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596150525 345952747 /nfs/dbraw/zinc/95/27/47/345952747.db2.gz COMPJPRTWOIYHC-ZETCQYMHSA-N -1 3 286.309 2.129 20 5 CEBDHM O=c1[n-]ccc(N2CCC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000596230780 345975196 /nfs/dbraw/zinc/97/51/96/345975196.db2.gz ZLNFDYNEQRZMCU-UHFFFAOYSA-N -1 3 263.297 2.466 20 5 CEBDHM CCOC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596237131 345976972 /nfs/dbraw/zinc/97/69/72/345976972.db2.gz CYDMQHSCWBGRCL-UHFFFAOYSA-N -1 3 281.312 2.091 20 5 CEBDHM CCC1(CC)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596243829 345979067 /nfs/dbraw/zinc/97/90/67/345979067.db2.gz KSTRJWGPGBOQHT-UHFFFAOYSA-N -1 3 251.286 2.322 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC000596271074 345986878 /nfs/dbraw/zinc/98/68/78/345986878.db2.gz JHHVUSRTRTYLPE-HTQZYQBOSA-N -1 3 255.249 2.388 20 5 CEBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC000596531865 346047564 /nfs/dbraw/zinc/04/75/64/346047564.db2.gz XUAVWEMRWLRKOK-LLVKDONJSA-N -1 3 281.312 2.313 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CNC1(CO)CCCCC1 ZINC000611461692 347781238 /nfs/dbraw/zinc/78/12/38/347781238.db2.gz GCZCTNVBNYLJJU-UHFFFAOYSA-N -1 3 280.324 2.085 20 5 CEBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611256703 347759181 /nfs/dbraw/zinc/75/91/81/347759181.db2.gz QJWQYMHIGIBDOG-NSHDSACASA-N -1 3 280.324 2.159 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nccs1 ZINC000618631299 349002928 /nfs/dbraw/zinc/00/29/28/349002928.db2.gz UZFFSOYXSFGQSB-UHFFFAOYSA-N -1 3 279.277 2.312 20 5 CEBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]OC1CCC1 ZINC000493614094 290872897 /nfs/dbraw/zinc/87/28/97/290872897.db2.gz DFQTXFXBLLMVDB-ALCCZGGFSA-N -1 3 280.255 2.347 20 5 CEBDHM CCCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000131369929 366047720 /nfs/dbraw/zinc/04/77/20/366047720.db2.gz BCUZVDOYOBXQPU-UHFFFAOYSA-N -1 3 298.364 2.453 20 5 CEBDHM Cc1noc2ncc([N-]C(=O)c3ccc([N+](=O)[O-])o3)cc12 ZINC000337645100 366167649 /nfs/dbraw/zinc/16/76/49/366167649.db2.gz XLJQWWFZWLPKKB-UHFFFAOYSA-N -1 3 288.219 2.285 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]2COCC[C@H]21 ZINC000339010438 366613564 /nfs/dbraw/zinc/61/35/64/366613564.db2.gz BNVMWZMLLXNBIA-SMDDNHRTSA-N -1 3 292.335 2.301 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000339050188 366630105 /nfs/dbraw/zinc/63/01/05/366630105.db2.gz FVTBMLXENPDABB-VXGBXAGGSA-N -1 3 292.335 2.159 20 5 CEBDHM COc1cc(CN[C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1[O-] ZINC000342218548 216265610 /nfs/dbraw/zinc/26/56/10/216265610.db2.gz IPZCOZXMQIKJQL-YUMQZZPRSA-N -1 3 288.250 2.052 20 5 CEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ncccc1[O-] ZINC000088280307 363886835 /nfs/dbraw/zinc/88/68/35/363886835.db2.gz YFLOGYMYAZXYTH-UHFFFAOYSA-N -1 3 287.275 2.267 20 5 CEBDHM CCc1nc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])co1 ZINC000346530542 368706464 /nfs/dbraw/zinc/70/64/64/368706464.db2.gz MZDYBEJOJZCIDT-UHFFFAOYSA-N -1 3 291.263 2.406 20 5 CEBDHM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000331933252 204309946 /nfs/dbraw/zinc/30/99/46/204309946.db2.gz HHWXGSJKRCGKOP-LLVKDONJSA-N -1 3 264.281 2.171 20 5 CEBDHM O=[N+]([O-])c1cccc(F)c1[N-]OC[C@@H]1CCOC1 ZINC000287894968 376336893 /nfs/dbraw/zinc/33/68/93/376336893.db2.gz VAXPJXLSVRYDPP-MRVPVSSYSA-N -1 3 256.233 2.114 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)cc1C ZINC000332155458 377529260 /nfs/dbraw/zinc/52/92/60/377529260.db2.gz PPHDQPJFWHUFHE-GHMZBOCLSA-N -1 3 298.364 2.146 20 5 CEBDHM CC(C)O[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294119085 377910952 /nfs/dbraw/zinc/91/09/52/377910952.db2.gz NVNJLLSWYHRZNL-VMPITWQZSA-N -1 3 250.254 2.064 20 5 CEBDHM Cc1c([N-]c2ncccc2[N+](=O)[O-])cnn1[C@H]1CCOC1 ZINC000450799679 378584484 /nfs/dbraw/zinc/58/44/84/378584484.db2.gz XADNOTCJLRNRQZ-JTQLQIEISA-N -1 3 289.295 2.200 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000492939061 380736243 /nfs/dbraw/zinc/73/62/43/380736243.db2.gz BYTBRNMKQWUNMA-FPLPWBNLSA-N -1 3 276.292 2.456 20 5 CEBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OC/C=C/Cl ZINC000493451107 380994475 /nfs/dbraw/zinc/99/44/75/380994475.db2.gz MHZJLNBAPGVPSN-HPZSKFQUSA-N -1 3 282.683 2.408 20 5 CEBDHM Cc1ccc2c(Cn3cc([N+](=O)[O-])cn3)ccc([O-])c2n1 ZINC000427288443 395103618 /nfs/dbraw/zinc/10/36/18/395103618.db2.gz LWYSISNNPAMTNU-UHFFFAOYSA-N -1 3 284.275 2.402 20 5 CEBDHM CCC1([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000451687589 395624136 /nfs/dbraw/zinc/62/41/36/395624136.db2.gz IPRSBFYSBGPABV-UHFFFAOYSA-N -1 3 284.337 2.124 20 5 CEBDHM Cc1cccc(N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000188374599 153052772 /nfs/dbraw/zinc/05/27/72/153052772.db2.gz FWIMRNGLTZYRAS-UHFFFAOYSA-N -1 3 287.275 2.280 20 5 CEBDHM CC(C)=CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000190236335 153120424 /nfs/dbraw/zinc/12/04/24/153120424.db2.gz ZSJKHLFXMWGITA-UHFFFAOYSA-N -1 3 284.337 2.148 20 5 CEBDHM Cc1c(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000263110685 154020519 /nfs/dbraw/zinc/02/05/19/154020519.db2.gz BSHMCHXHQXQQHP-ZWNOBZJWSA-N -1 3 292.335 2.446 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN([C@@H](C)C(=O)[O-])C1CC1 ZINC000263364280 154069216 /nfs/dbraw/zinc/06/92/16/154069216.db2.gz VNOFNOXOHDKYJN-VIFPVBQESA-N -1 3 294.307 2.041 20 5 CEBDHM CC(C)(CO)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000339724636 275861781 /nfs/dbraw/zinc/86/17/81/275861781.db2.gz BGLPKERWIJMQKY-CQSZACIVSA-N -1 3 294.351 2.187 20 5 CEBDHM Cc1n[nH]cc1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153644506 289117810 /nfs/dbraw/zinc/11/78/10/289117810.db2.gz YTJQQULIWRNAJR-UHFFFAOYSA-N -1 3 253.649 2.418 20 5 CEBDHM O=[N+]([O-])c1cnc2ccccc2c1NCc1ncccc1[O-] ZINC000487719039 290360378 /nfs/dbraw/zinc/36/03/78/290360378.db2.gz JZEMHZHWZDGOLP-UHFFFAOYSA-N -1 3 296.286 2.278 20 5 CEBDHM C[C@@H](CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000050444744 524575381 /nfs/dbraw/zinc/57/53/81/524575381.db2.gz SHZMAOUGGWMXMN-QMMMGPOBSA-N -1 3 286.715 2.401 20 5 CEBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1cncc([O-])c1 ZINC000731916301 574606081 /nfs/dbraw/zinc/60/60/81/574606081.db2.gz WZAFJNVZXPVEMV-UHFFFAOYSA-N -1 3 274.232 2.052 20 5 CEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC000738370921 574859768 /nfs/dbraw/zinc/85/97/68/574859768.db2.gz SNROWECOEZJVQG-SECBINFHSA-N -1 3 286.295 2.296 20 5 CEBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC000738370921 574859770 /nfs/dbraw/zinc/85/97/70/574859770.db2.gz SNROWECOEZJVQG-SECBINFHSA-N -1 3 286.295 2.296 20 5 CEBDHM CC(C)[C@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820020656 599099138 /nfs/dbraw/zinc/09/91/38/599099138.db2.gz JKDNCTCNVLYNTG-ZETCQYMHSA-N -1 3 294.340 2.307 20 5 CEBDHM O=[N+]([O-])c1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826499446 607465549 /nfs/dbraw/zinc/46/55/49/607465549.db2.gz IXTPKUZYWUPXKX-UHFFFAOYSA-N -1 3 297.274 2.354 20 5 CEBDHM O=[N+]([O-])c1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826499446 607465550 /nfs/dbraw/zinc/46/55/50/607465550.db2.gz IXTPKUZYWUPXKX-UHFFFAOYSA-N -1 3 297.274 2.354 20 5 CEBDHM C[C@@](CNC(=O)[O-])(NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000824952160 604342492 /nfs/dbraw/zinc/34/24/92/604342492.db2.gz LALCQECHIVLPHZ-AWEZNQCLSA-N -1 3 293.323 2.121 20 5 CEBDHM Cc1cc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])no1 ZINC000311766338 627699275 /nfs/dbraw/zinc/69/92/75/627699275.db2.gz IZGVDLREEGRGMJ-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM CCCCN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821060624 634617794 /nfs/dbraw/zinc/61/77/94/634617794.db2.gz FIUXEJSVUTZOPZ-UHFFFAOYSA-N -1 3 276.300 2.011 20 5 CEBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCO1 ZINC000896179877 630492513 /nfs/dbraw/zinc/49/25/13/630492513.db2.gz ADHVPQUBZSCHJK-LBPRGKRZSA-N -1 3 267.285 2.067 20 5 CEBDHM Cc1noc(CSCc2nc(C)cc(=O)[n-]2)c1[N+](=O)[O-] ZINC000853771143 643896845 /nfs/dbraw/zinc/89/68/45/643896845.db2.gz VVMDLOJFDOIESA-UHFFFAOYSA-N -1 3 296.308 2.129 20 5 CEBDHM O=C([O-])[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000874051511 649743185 /nfs/dbraw/zinc/74/31/85/649743185.db2.gz RAQVMIXFRGZPAM-VUUYWXRKSA-N -1 3 290.319 2.405 20 5 CEBDHM O=[N+]([O-])c1cnc(O[C@H]2C=CCCC2)c2[n-]cnc21 ZINC001227690693 805964567 /nfs/dbraw/zinc/96/45/67/805964567.db2.gz JPPMDAJAOROJMB-QMMMGPOBSA-N -1 3 260.253 2.354 20 5 CEBDHM COc1ccc(C(=O)[N-]c2conc2C)cc1[N+](=O)[O-] ZINC001130354390 812560657 /nfs/dbraw/zinc/56/06/57/812560657.db2.gz QIHLJPKHMGDAIY-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC000601281251 346812253 /nfs/dbraw/zinc/81/22/53/346812253.db2.gz MECCDLBEIDQTPZ-UHFFFAOYSA-N -1 3 290.316 2.119 20 5 CEBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]OCC(F)F ZINC000492622658 290633122 /nfs/dbraw/zinc/63/31/22/290633122.db2.gz KJBDLHTUDVKPHM-DUXPYHPUSA-N -1 3 290.197 2.060 20 5 CEBDHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057102539 362571869 /nfs/dbraw/zinc/57/18/69/362571869.db2.gz XQVLCOBYBPVZFE-UWVGGRQHSA-N -1 3 286.353 2.308 20 5 CEBDHM O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000594527767 345644141 /nfs/dbraw/zinc/64/41/41/345644141.db2.gz MXRCIYJRQNWKKZ-UHFFFAOYSA-N -1 3 282.271 2.173 20 5 CEBDHM O=c1[n-]ccc(NCC2(CO)CC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596215494 345971694 /nfs/dbraw/zinc/97/16/94/345971694.db2.gz UKPDXNNRRLFTGL-UHFFFAOYSA-N -1 3 293.323 2.050 20 5 CEBDHM O=c1[n-]ccc(NCCOCC2CCCC2)c1[N+](=O)[O-] ZINC000596265943 345985901 /nfs/dbraw/zinc/98/59/01/345985901.db2.gz PYOYOQHHVNDTEC-UHFFFAOYSA-N -1 3 281.312 2.314 20 5 CEBDHM C[C@@H]1CC(C)(C)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596270415 345986968 /nfs/dbraw/zinc/98/69/68/345986968.db2.gz GOTJTYOIIOHUHA-MRVPVSSYSA-N -1 3 251.286 2.320 20 5 CEBDHM C[C@@H]1[C@H](C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000596274197 345988115 /nfs/dbraw/zinc/98/81/15/345988115.db2.gz BYMBMRWUGAWMKK-HLTSFMKQSA-N -1 3 251.286 2.176 20 5 CEBDHM O=C([O-])[C@H](CNCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596658794 346073944 /nfs/dbraw/zinc/07/39/44/346073944.db2.gz VKRRXUWPTCVQAM-GFCCVEGCSA-N -1 3 278.308 2.185 20 5 CEBDHM Cc1c([N-]c2ncc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000178839039 232381925 /nfs/dbraw/zinc/38/19/25/232381925.db2.gz WTSBJLVJFUJYQJ-UHFFFAOYSA-N -1 3 267.676 2.429 20 5 CEBDHM CC1(C(=O)[O-])CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000062844438 362723589 /nfs/dbraw/zinc/72/35/89/362723589.db2.gz XLKQIDONDNSQGO-UHFFFAOYSA-N -1 3 278.308 2.282 20 5 CEBDHM CCC(F)(F)CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000598996115 346444083 /nfs/dbraw/zinc/44/40/83/346444083.db2.gz COSFXSNXGWIWPW-UHFFFAOYSA-N -1 3 290.266 2.444 20 5 CEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599119614 346462971 /nfs/dbraw/zinc/46/29/71/346462971.db2.gz VACKMWQIURQLDD-HTQZYQBOSA-N -1 3 287.266 2.423 20 5 CEBDHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000600800976 346692955 /nfs/dbraw/zinc/69/29/55/346692955.db2.gz OYJZIWWFFWCESF-AAEUAGOBSA-N -1 3 292.335 2.446 20 5 CEBDHM CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000066581227 362874791 /nfs/dbraw/zinc/87/47/91/362874791.db2.gz QWBSPLQVHMTPPA-UHFFFAOYSA-N -1 3 298.364 2.453 20 5 CEBDHM CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000123308575 187084186 /nfs/dbraw/zinc/08/41/86/187084186.db2.gz GRORZQJFXNSNOO-UHFFFAOYSA-N -1 3 295.686 2.181 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@]1(C)C(=O)[O-] ZINC000079489030 363609255 /nfs/dbraw/zinc/60/92/55/363609255.db2.gz OOYHNQLMSNEATR-CQSZACIVSA-N -1 3 294.307 2.043 20 5 CEBDHM Cc1nc2cc([N-]c3ncc([N+](=O)[O-])cn3)ccc2n1C ZINC000302170965 201378999 /nfs/dbraw/zinc/37/89/99/201378999.db2.gz UOYFQYKZQIDCPZ-UHFFFAOYSA-N -1 3 284.279 2.324 20 5 CEBDHM COCc1nc(Sc2c(F)cccc2[N+](=O)[O-])n[n-]1 ZINC000342676552 367478881 /nfs/dbraw/zinc/47/88/81/367478881.db2.gz LAKOCDWEVDHABZ-UHFFFAOYSA-N -1 3 284.272 2.150 20 5 CEBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ncncc1Cl ZINC000347994654 368850205 /nfs/dbraw/zinc/85/02/05/368850205.db2.gz XAZIORCDZDIIPY-UHFFFAOYSA-N -1 3 296.645 2.430 20 5 CEBDHM O=C(NCc1ncccc1[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000348467754 369054555 /nfs/dbraw/zinc/05/45/55/369054555.db2.gz VZHCEJYWKMCANM-UHFFFAOYSA-N -1 3 288.263 2.017 20 5 CEBDHM O=C([N-]c1ccsc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000189497987 369526639 /nfs/dbraw/zinc/52/66/39/369526639.db2.gz ZAXOWYOPDIWGDJ-UHFFFAOYSA-N -1 3 272.673 2.285 20 5 CEBDHM O=[N+]([O-])c1ccc(-c2nc(-c3ccn4cncc4c3)no2)[n-]1 ZINC000351071959 369599347 /nfs/dbraw/zinc/59/93/47/369599347.db2.gz GZDLTKCIQQSOTK-UHFFFAOYSA-N -1 3 296.246 2.288 20 5 CEBDHM C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262038392 371809126 /nfs/dbraw/zinc/80/91/26/371809126.db2.gz YEANMAJHXUMARV-VIFPVBQESA-N -1 3 264.281 2.032 20 5 CEBDHM O=C(Nc1ccccc1[O-])c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000074113884 284372259 /nfs/dbraw/zinc/37/22/59/284372259.db2.gz YRMPBVRFXUHLFL-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM Cc1sc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000353547606 220150440 /nfs/dbraw/zinc/15/04/40/220150440.db2.gz SJOKLIIURPOHCC-UHFFFAOYSA-N -1 3 279.277 2.318 20 5 CEBDHM CC(C)=CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000276834896 374317985 /nfs/dbraw/zinc/31/79/85/374317985.db2.gz PBZMCAHSRHQIBC-UHFFFAOYSA-N -1 3 284.337 2.229 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC([O-])=NOCC(C)(C)O ZINC000286230910 375879391 /nfs/dbraw/zinc/87/93/91/375879391.db2.gz PPQJBVPOGHWHDC-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)[N-]OCC(C)(C)O ZINC000286230910 375879394 /nfs/dbraw/zinc/87/93/94/375879394.db2.gz PPQJBVPOGHWHDC-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM COCCCO[N-]C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000287109393 376152455 /nfs/dbraw/zinc/15/24/55/376152455.db2.gz JWSGQOZDLGHJMP-UHFFFAOYSA-N -1 3 297.311 2.301 20 5 CEBDHM O=C([O-])CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262427688 190055107 /nfs/dbraw/zinc/05/51/07/190055107.db2.gz IBVBOGZUDXDWAL-UHFFFAOYSA-N -1 3 278.308 2.424 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC1CC1 ZINC000292791133 377283891 /nfs/dbraw/zinc/28/38/91/377283891.db2.gz MRWNRYJRWORFHY-UHFFFAOYSA-N -1 3 281.268 2.067 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC1CC1 ZINC000292791133 377283899 /nfs/dbraw/zinc/28/38/99/377283899.db2.gz MRWNRYJRWORFHY-UHFFFAOYSA-N -1 3 281.268 2.067 20 5 CEBDHM O=C([N-]OCC1CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000293676987 377693612 /nfs/dbraw/zinc/69/36/12/377693612.db2.gz AOYZPAPKIHUMIQ-UHFFFAOYSA-N -1 3 270.672 2.320 20 5 CEBDHM COc1cc(CNCCOC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000521834134 379543520 /nfs/dbraw/zinc/54/35/20/379543520.db2.gz QXAPKEOHNAMYSO-UHFFFAOYSA-N -1 3 298.339 2.214 20 5 CEBDHM COC(=O)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000131676321 394916227 /nfs/dbraw/zinc/91/62/27/394916227.db2.gz QDVKIPFUYQWBEF-UHFFFAOYSA-N -1 3 296.260 2.288 20 5 CEBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)F ZINC000596285874 395666580 /nfs/dbraw/zinc/66/65/80/395666580.db2.gz GTDMIJBJCVOMTB-ZCFIWIBFSA-N -1 3 261.228 2.399 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C)on1 ZINC000009206283 170366582 /nfs/dbraw/zinc/36/65/82/170366582.db2.gz WTBIHYRRXUBYJP-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM O=C([O-])c1cc(NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000042325014 174685132 /nfs/dbraw/zinc/68/51/32/174685132.db2.gz HZTZCYQWDNWQFP-UHFFFAOYSA-N -1 3 293.323 2.191 20 5 CEBDHM O=C([O-])CCCCCNCc1ccccc1[N+](=O)[O-] ZINC000071293999 176111776 /nfs/dbraw/zinc/11/17/76/176111776.db2.gz VFVLIZKWOISMKH-UHFFFAOYSA-N -1 3 266.297 2.329 20 5 CEBDHM Cc1cnc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000269376893 279019754 /nfs/dbraw/zinc/01/97/54/279019754.db2.gz NUDCURZCOBLHLG-UHFFFAOYSA-N -1 3 295.324 2.459 20 5 CEBDHM O=[N+]([O-])c1cnc([N-]c2c[nH]cn2)c(Br)c1 ZINC000571458422 314091456 /nfs/dbraw/zinc/09/14/56/314091456.db2.gz CRKKBNLCKGBGSM-UHFFFAOYSA-N -1 3 284.073 2.219 20 5 CEBDHM COC(=O)c1ccc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)o1 ZINC000152902415 534046446 /nfs/dbraw/zinc/04/64/46/534046446.db2.gz SYAFGNLUUORTDO-UHFFFAOYSA-N -1 3 290.231 2.227 20 5 CEBDHM CC(C)[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000050444677 519799104 /nfs/dbraw/zinc/79/91/04/519799104.db2.gz MRHUXFMIIWLHFV-LLVKDONJSA-N -1 3 286.715 2.447 20 5 CEBDHM O=C([O-])[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000821511646 598129596 /nfs/dbraw/zinc/12/95/96/598129596.db2.gz OCJJLZJHADWTLT-PYEVWLCESA-N -1 3 276.292 2.015 20 5 CEBDHM O=C([O-])[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000821511643 598129697 /nfs/dbraw/zinc/12/96/97/598129697.db2.gz OCJJLZJHADWTLT-FHMRSRPSSA-N -1 3 276.292 2.015 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CNC(=O)[O-])C1 ZINC000825638767 604043427 /nfs/dbraw/zinc/04/34/27/604043427.db2.gz OOUKMCBILNTDKJ-MNOVXSKESA-N -1 3 293.323 2.245 20 5 CEBDHM O=c1cc([C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)[n-][nH]1 ZINC000894376930 629407421 /nfs/dbraw/zinc/40/74/21/629407421.db2.gz HXKWBZTVHSWUBU-VIFPVBQESA-N -1 3 274.280 2.017 20 5 CEBDHM O=C([O-])CCCCCNCc1csc([N+](=O)[O-])c1 ZINC000901557283 634177359 /nfs/dbraw/zinc/17/73/59/634177359.db2.gz YPXVHHRNEGIZIJ-UHFFFAOYSA-N -1 3 272.326 2.391 20 5 CEBDHM C[C@H](C[C@H](O)c1ccco1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853444892 643772385 /nfs/dbraw/zinc/77/23/85/643772385.db2.gz OFTWCMXRRNLFNU-SCZZXKLOSA-N -1 3 293.279 2.213 20 5 CEBDHM C[C@]1(F)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853650721 643846774 /nfs/dbraw/zinc/84/67/74/643846774.db2.gz KAWIKCXIIDIXTQ-NSHDSACASA-N -1 3 255.249 2.024 20 5 CEBDHM O=c1cc(Nc2ccc(F)c([N+](=O)[O-])c2)[nH]c(=S)[n-]1 ZINC001211190670 802787220 /nfs/dbraw/zinc/78/72/20/802787220.db2.gz YZAGPQBJUASSRE-UHFFFAOYSA-N -1 3 282.256 2.262 20 5 CEBDHM CCc1cc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])no1 ZINC001135364578 813419496 /nfs/dbraw/zinc/41/94/96/813419496.db2.gz ANXXCRFCZQQNSY-UHFFFAOYSA-N -1 3 291.263 2.406 20 5 CEBDHM O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734205 816270780 /nfs/dbraw/zinc/27/07/80/816270780.db2.gz NPVHDMKUXLIJIP-UHFFFAOYSA-N -1 3 295.186 2.077 20 5 CEBDHM CCCc1[nH]nc(C(=O)[N-]c2csc(C)n2)c1[N+](=O)[O-] ZINC000338132610 214413098 /nfs/dbraw/zinc/41/30/98/214413098.db2.gz RRWFZWWBRUOGKN-UHFFFAOYSA-N -1 3 295.324 2.288 20 5 CEBDHM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000593730121 345528610 /nfs/dbraw/zinc/52/86/10/345528610.db2.gz KRANCLWNJAYXAF-BBBLOLIVSA-N -1 3 266.297 2.355 20 5 CEBDHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593734807 345529860 /nfs/dbraw/zinc/52/98/60/345529860.db2.gz FAURNKCQAZIOHE-SECBINFHSA-N -1 3 264.281 2.135 20 5 CEBDHM Cc1cc(C)n(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596050761 345928241 /nfs/dbraw/zinc/92/82/41/345928241.db2.gz QFSDUXCIOCXNQO-UHFFFAOYSA-N -1 3 291.311 2.011 20 5 CEBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596051496 345928469 /nfs/dbraw/zinc/92/84/69/345928469.db2.gz PULPUJBOIWJHTM-UHFFFAOYSA-N -1 3 251.286 2.464 20 5 CEBDHM C[C@@H](CCO)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596185500 345964164 /nfs/dbraw/zinc/96/41/64/345964164.db2.gz MPDRLIWXUHTESK-JTQLQIEISA-N -1 3 295.339 2.296 20 5 CEBDHM Cc1nccn1CCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147068 345952323 /nfs/dbraw/zinc/95/23/23/345952323.db2.gz RMXSFWOESXMMLF-UHFFFAOYSA-N -1 3 291.311 2.093 20 5 CEBDHM O=c1[n-]ccc(N2CCOCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000596196983 345967322 /nfs/dbraw/zinc/96/73/22/345967322.db2.gz VGGXRVGXWUPSJL-UHFFFAOYSA-N -1 3 293.323 2.092 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000596200700 345967614 /nfs/dbraw/zinc/96/76/14/345967614.db2.gz RNLHNLPKNCHZEM-LLVKDONJSA-N -1 3 293.323 2.091 20 5 CEBDHM CC(C)O[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596265940 345985852 /nfs/dbraw/zinc/98/58/52/345985852.db2.gz XPRJSHIMNLARPT-DTORHVGOSA-N -1 3 267.285 2.063 20 5 CEBDHM O=c1[n-]ccc(N[C@@H](C2CC2)C2CCOCC2)c1[N+](=O)[O-] ZINC000596290859 345992549 /nfs/dbraw/zinc/99/25/49/345992549.db2.gz WELBYFUSGMTPHT-LBPRGKRZSA-N -1 3 293.323 2.313 20 5 CEBDHM CC1(C)CCC(O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596513398 346043518 /nfs/dbraw/zinc/04/35/18/346043518.db2.gz UQHVPZVNHZAPQI-UHFFFAOYSA-N -1 3 295.339 2.439 20 5 CEBDHM O=c1[n-]ccc(N2CC(Cc3ccsc3)C2)c1[N+](=O)[O-] ZINC000598643106 346390632 /nfs/dbraw/zinc/39/06/32/346390632.db2.gz JIAHENHRYOFAET-UHFFFAOYSA-N -1 3 291.332 2.436 20 5 CEBDHM C[C@]1(C(=O)[O-])CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062876882 362728574 /nfs/dbraw/zinc/72/85/74/362728574.db2.gz JHLNKGVZOJBJBZ-AWEZNQCLSA-N -1 3 278.308 2.282 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](O)C12CCCC2 ZINC000339245161 215037831 /nfs/dbraw/zinc/03/78/31/215037831.db2.gz FZWIDJNDCMWCQW-AWEZNQCLSA-N -1 3 292.335 2.180 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)C1CC1 ZINC000604399828 347414541 /nfs/dbraw/zinc/41/45/41/347414541.db2.gz KTHLOZDFKNIHLI-JTQLQIEISA-N -1 3 298.364 2.228 20 5 CEBDHM O=C([N-]c1cnoc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611222813 347753348 /nfs/dbraw/zinc/75/33/48/347753348.db2.gz DNWFJUYMLVTKNC-UHFFFAOYSA-N -1 3 284.231 2.383 20 5 CEBDHM C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C(=O)[O-] ZINC000336849460 365926389 /nfs/dbraw/zinc/92/63/89/365926389.db2.gz ROAPGAZSDROJFK-ZANVPECISA-N -1 3 296.298 2.419 20 5 CEBDHM O=C(c1cccc([O-])c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000357314057 233043204 /nfs/dbraw/zinc/04/32/04/233043204.db2.gz YGGYPADNZVZPGL-UHFFFAOYSA-N -1 3 298.298 2.499 20 5 CEBDHM CCCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119255809 186813880 /nfs/dbraw/zinc/81/38/80/186813880.db2.gz FREVYRYFWPNUCA-UHFFFAOYSA-N -1 3 286.353 2.290 20 5 CEBDHM CC(C)CO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153294469 188074942 /nfs/dbraw/zinc/07/49/42/188074942.db2.gz YIKSIDUWCYENSV-UHFFFAOYSA-N -1 3 266.297 2.231 20 5 CEBDHM CC/C=C\C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000451768612 283099060 /nfs/dbraw/zinc/09/90/60/283099060.db2.gz AMOMLIHCFZXWCC-WAYWQWQTSA-N -1 3 298.364 2.456 20 5 CEBDHM O=C([N-]OC1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000135133305 366399221 /nfs/dbraw/zinc/39/92/21/366399221.db2.gz MITWOFICJXZKCT-UHFFFAOYSA-N -1 3 268.244 2.338 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000024474732 361609987 /nfs/dbraw/zinc/60/99/87/361609987.db2.gz QGQXWJWVHXMRDC-UHFFFAOYSA-N -1 3 296.348 2.062 20 5 CEBDHM Cc1c(NC(=O)c2ccc3n[n-]nc3c2)cccc1[N+](=O)[O-] ZINC000032060247 361725175 /nfs/dbraw/zinc/72/51/75/361725175.db2.gz BAPHOANDGGCIDH-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1ccnc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000348019259 368860190 /nfs/dbraw/zinc/86/01/90/368860190.db2.gz SWRWLWHPJSHZOA-UHFFFAOYSA-N -1 3 276.227 2.085 20 5 CEBDHM C[C@@H](C(=O)[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262458161 371864634 /nfs/dbraw/zinc/86/46/34/371864634.db2.gz JAZYFMDOUKIXKO-VIFPVBQESA-N -1 3 264.281 2.032 20 5 CEBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nccs2)c1[N+](=O)[O-] ZINC000269397262 372440641 /nfs/dbraw/zinc/44/06/41/372440641.db2.gz SKHDMSTTWALBLY-UHFFFAOYSA-N -1 3 281.297 2.150 20 5 CEBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC2)c(Cl)c1 ZINC000416505215 376080617 /nfs/dbraw/zinc/08/06/17/376080617.db2.gz BWGVWTWVPDXWBI-UHFFFAOYSA-N -1 3 290.728 2.079 20 5 CEBDHM C[C@H]1CC[C@H](N(CCO)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330449557 377137343 /nfs/dbraw/zinc/13/73/43/377137343.db2.gz JDVOBLDYRHYAFV-AAEUAGOBSA-N -1 3 294.351 2.283 20 5 CEBDHM COc1cc(CN(CC(=O)[O-])C2CCC2)ccc1[N+](=O)[O-] ZINC000563456973 377231379 /nfs/dbraw/zinc/23/13/79/377231379.db2.gz XSLQETIMFRMLFG-UHFFFAOYSA-N -1 3 294.307 2.043 20 5 CEBDHM O=C([N-]c1cccc2[nH]c(=O)[nH]c21)c1ccc([N+](=O)[O-])o1 ZINC000564320588 377372919 /nfs/dbraw/zinc/37/29/19/377372919.db2.gz HXFCICCWVVSTAX-UHFFFAOYSA-N -1 3 288.219 2.022 20 5 CEBDHM C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000565303027 377635938 /nfs/dbraw/zinc/63/59/38/377635938.db2.gz KRCPUSVWKBKIBT-GXFFZTMASA-N -1 3 278.308 2.137 20 5 CEBDHM Cc1c(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000521042800 379513046 /nfs/dbraw/zinc/51/30/46/379513046.db2.gz QYPRWNIVMJPETF-MFKMUULPSA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000522252556 379567354 /nfs/dbraw/zinc/56/73/54/379567354.db2.gz QKHSOEQNMKAYBX-VIFPVBQESA-N -1 3 296.714 2.172 20 5 CEBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000527065231 379727718 /nfs/dbraw/zinc/72/77/18/379727718.db2.gz PJBBCUCRDQELRV-SECBINFHSA-N -1 3 296.714 2.172 20 5 CEBDHM CO[C@@H]1C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000344695909 285821366 /nfs/dbraw/zinc/82/13/66/285821366.db2.gz MZGASHCCLHKELN-CHWSQXEVSA-N -1 3 280.324 2.204 20 5 CEBDHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000359934001 155173964 /nfs/dbraw/zinc/17/39/64/155173964.db2.gz DBZPOSXBPUGHMW-QWRGUYRKSA-N -1 3 298.364 2.309 20 5 CEBDHM CC(C)=CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000360028771 155195037 /nfs/dbraw/zinc/19/50/37/155195037.db2.gz HLGMAJCKEUUNIM-UHFFFAOYSA-N -1 3 290.366 2.209 20 5 CEBDHM CC(C)(CCNCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263353817 154065943 /nfs/dbraw/zinc/06/59/43/154065943.db2.gz QURSBKFRVYWSEZ-UHFFFAOYSA-N -1 3 266.297 2.185 20 5 CEBDHM CCc1[nH]nc(C(=O)Nc2cc(C)ccc2[O-])c1[N+](=O)[O-] ZINC000436777260 271688881 /nfs/dbraw/zinc/68/88/81/271688881.db2.gz BYKNUDJPDWVXSV-UHFFFAOYSA-N -1 3 290.279 2.147 20 5 CEBDHM Cc1nc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cs1 ZINC000344764838 293338094 /nfs/dbraw/zinc/33/80/94/293338094.db2.gz ZQLPZUXVNBRVFD-UHFFFAOYSA-N -1 3 295.324 2.459 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[C@@H](C)C1 ZINC000131917621 302050328 /nfs/dbraw/zinc/05/03/28/302050328.db2.gz UAVFEZPEMDKMIC-KOLCDFICSA-N -1 3 298.364 2.370 20 5 CEBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1[O-] ZINC000514965264 313062238 /nfs/dbraw/zinc/06/22/38/313062238.db2.gz JFHLEZVBPNLNLB-UHFFFAOYSA-N -1 3 289.247 2.083 20 5 CEBDHM Cc1cc(C(=O)Nc2ncccc2[O-])cc([N+](=O)[O-])c1 ZINC000049168339 524185725 /nfs/dbraw/zinc/18/57/25/524185725.db2.gz LFQJISUYFDJLGB-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM Cc1c([N-]C(=O)c2cnns2)cccc1[N+](=O)[O-] ZINC000047412740 525865427 /nfs/dbraw/zinc/86/54/27/525865427.db2.gz BIIXOKANEAVKSG-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM CC(C)[C@@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820020655 599098953 /nfs/dbraw/zinc/09/89/53/599098953.db2.gz JKDNCTCNVLYNTG-SSDOTTSWSA-N -1 3 294.340 2.307 20 5 CEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCC1 ZINC000824655493 607904407 /nfs/dbraw/zinc/90/44/07/607904407.db2.gz CXAQQIQKNCMOES-QMMMGPOBSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCC1 ZINC000824655493 607904408 /nfs/dbraw/zinc/90/44/08/607904408.db2.gz CXAQQIQKNCMOES-QMMMGPOBSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H](N[C@H](CNC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000825472261 603621499 /nfs/dbraw/zinc/62/14/99/603621499.db2.gz GKFGRUUTHYPXRJ-BXKDBHETSA-N -1 3 293.323 2.292 20 5 CEBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC000820726952 606423675 /nfs/dbraw/zinc/42/36/75/606423675.db2.gz DORHUMZJCSEHME-IUCAKERBSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC000820726952 606423677 /nfs/dbraw/zinc/42/36/77/606423677.db2.gz DORHUMZJCSEHME-IUCAKERBSA-N -1 3 288.311 2.010 20 5 CEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC1CCC1 ZINC000823629945 606728760 /nfs/dbraw/zinc/72/87/60/606728760.db2.gz NAZCVRZPMNILDF-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC1CCC1 ZINC000823629945 606728762 /nfs/dbraw/zinc/72/87/62/606728762.db2.gz NAZCVRZPMNILDF-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM Cc1nnc([C@@H](C)[N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])o1 ZINC000804548144 631702632 /nfs/dbraw/zinc/70/26/32/631702632.db2.gz RMUQQSWFGQHKSP-ZCFIWIBFSA-N -1 3 293.239 2.368 20 5 CEBDHM O=C([O-])CC1(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000901477189 634125781 /nfs/dbraw/zinc/12/57/81/634125781.db2.gz MTUBGQJKIGZZTA-UHFFFAOYSA-N -1 3 284.699 2.345 20 5 CEBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ncc(Cl)cn1 ZINC001125336302 802590248 /nfs/dbraw/zinc/59/02/48/802590248.db2.gz DXKMNLIPDWEMHO-UHFFFAOYSA-N -1 3 296.645 2.430 20 5 CEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2cccc3nonc32)n1 ZINC001128888521 809555270 /nfs/dbraw/zinc/55/52/70/809555270.db2.gz VNAQYXSZKMRGRR-UHFFFAOYSA-N -1 3 299.246 2.087 20 5 CEBDHM NC(=O)c1ccc(Nc2cc([N+](=O)[O-])ccc2F)c([O-])c1 ZINC001175736410 816271910 /nfs/dbraw/zinc/27/19/10/816271910.db2.gz XCMZYRCRFVDTGI-UHFFFAOYSA-N -1 3 291.238 2.282 20 5 CEBDHM CC[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601280283 346811449 /nfs/dbraw/zinc/81/14/49/346811449.db2.gz FCFKYYOXKGETGC-LURJTMIESA-N -1 3 278.355 2.042 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]CC2CCC2)c([N+](=O)[O-])s1 ZINC000601305019 346816164 /nfs/dbraw/zinc/81/61/64/346816164.db2.gz UBTABHVULNFKOJ-UHFFFAOYSA-N -1 3 290.366 2.043 20 5 CEBDHM CCOc1ccc(C(=O)[N-]c2nncs2)cc1[N+](=O)[O-] ZINC000048797034 362304959 /nfs/dbraw/zinc/30/49/59/362304959.db2.gz QJPDXRPQSMBSRE-UHFFFAOYSA-N -1 3 294.292 2.097 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCC2)cc1C ZINC000048840527 362306749 /nfs/dbraw/zinc/30/67/49/362306749.db2.gz FUBQPHHSCANAME-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C(C)C)cc1[N+](=O)[O-] ZINC000083975673 344080113 /nfs/dbraw/zinc/08/01/13/344080113.db2.gz ROQKDDGEPFRAKG-UHFFFAOYSA-N -1 3 292.744 2.243 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nncs1 ZINC000049376882 362358104 /nfs/dbraw/zinc/35/81/04/362358104.db2.gz USZAUPKGATYSNJ-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM C[C@H](O)C[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093482062 344225514 /nfs/dbraw/zinc/22/55/14/344225514.db2.gz ZQABMDDBNVOEGN-CMPLNLGQSA-N -1 3 280.324 2.036 20 5 CEBDHM O=C([O-])CCN(Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000593743955 345531515 /nfs/dbraw/zinc/53/15/15/345531515.db2.gz KFOPLKBIKXTGSS-UHFFFAOYSA-N -1 3 284.337 2.343 20 5 CEBDHM Cc1nc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC000596066326 345931775 /nfs/dbraw/zinc/93/17/75/345931775.db2.gz CPJOZSSTQIFQMT-UHFFFAOYSA-N -1 3 280.309 2.115 20 5 CEBDHM Cc1noc(C)c1C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596134696 345947403 /nfs/dbraw/zinc/94/74/03/345947403.db2.gz OQFQHJISEMLNHU-SSDOTTSWSA-N -1 3 292.295 2.343 20 5 CEBDHM O=c1[n-]ccc(N2CCCC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000596139054 345949356 /nfs/dbraw/zinc/94/93/56/345949356.db2.gz AHDNFQVHISUEHJ-UHFFFAOYSA-N -1 3 293.323 2.092 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596255541 345982026 /nfs/dbraw/zinc/98/20/26/345982026.db2.gz SWGVISATXGMZSD-JTQLQIEISA-N -1 3 293.323 2.457 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596271875 345987392 /nfs/dbraw/zinc/98/73/92/345987392.db2.gz JYUJXDGXWWPWHW-JTQLQIEISA-N -1 3 263.297 2.322 20 5 CEBDHM CC(C)(C)O[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596553612 346053179 /nfs/dbraw/zinc/05/31/79/346053179.db2.gz ZQUFHIXLJGGXAW-KYZUINATSA-N -1 3 281.312 2.453 20 5 CEBDHM CC1C[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596537974 346049291 /nfs/dbraw/zinc/04/92/91/346049291.db2.gz NTZPLDHVKCFUSS-PBINXNQUSA-N -1 3 263.297 2.463 20 5 CEBDHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000062876889 362727567 /nfs/dbraw/zinc/72/75/67/362727567.db2.gz VXLLIUBEYGOPCG-CQSZACIVSA-N -1 3 278.308 2.282 20 5 CEBDHM O=[N+]([O-])c1sccc1[N-]c1cc2n(n1)CCCC2 ZINC000601163251 346773781 /nfs/dbraw/zinc/77/37/81/346773781.db2.gz GGAUJXDEPFQVHR-UHFFFAOYSA-N -1 3 264.310 2.355 20 5 CEBDHM O=c1[n-]ccc(N[C@@H](C2CCC2)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000601250738 346801908 /nfs/dbraw/zinc/80/19/08/346801908.db2.gz QUUCBXKNCOYWMB-NEPJUHHUSA-N -1 3 293.323 2.455 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCCC(=O)[O-] ZINC000086802379 179337313 /nfs/dbraw/zinc/33/73/13/179337313.db2.gz DDEGUFPYPKOCJG-SNVBAGLBSA-N -1 3 266.297 2.452 20 5 CEBDHM CCn1c(=O)[n-]nc1SCc1ccc(F)cc1[N+](=O)[O-] ZINC000577746738 366392587 /nfs/dbraw/zinc/39/25/87/366392587.db2.gz DVCSPSFTHUTILG-UHFFFAOYSA-N -1 3 298.299 2.343 20 5 CEBDHM CCc1[nH]nc(C(=O)[N-]c2cccc(F)c2F)c1[N+](=O)[O-] ZINC000354577763 370417986 /nfs/dbraw/zinc/41/79/86/370417986.db2.gz KFUQDNVHMLALGD-UHFFFAOYSA-N -1 3 296.233 2.411 20 5 CEBDHM CC(C)C[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000414610005 375875102 /nfs/dbraw/zinc/87/51/02/375875102.db2.gz ALRLZSZNTXDDNT-SSDOTTSWSA-N -1 3 265.273 2.019 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000332128731 377523369 /nfs/dbraw/zinc/52/33/69/377523369.db2.gz DIGUHELTCLZKAP-MNOVXSKESA-N -1 3 298.364 2.146 20 5 CEBDHM CCC1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000295301974 378093821 /nfs/dbraw/zinc/09/38/21/378093821.db2.gz OFNJBSFQBCQVIQ-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM Cc1ccc(NC([O-])=NOC(C)C)cc1[N+](=O)[O-] ZINC000296202110 378451369 /nfs/dbraw/zinc/45/13/69/378451369.db2.gz NLVPVXMCZXICBB-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM Cc1ccc(NC(=O)[N-]OC(C)C)cc1[N+](=O)[O-] ZINC000296202110 378451374 /nfs/dbraw/zinc/45/13/74/378451374.db2.gz NLVPVXMCZXICBB-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM CCO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000281905553 394873423 /nfs/dbraw/zinc/87/34/23/394873423.db2.gz IICUAEKVHFGSBI-UHFFFAOYSA-N -1 3 269.257 2.067 20 5 CEBDHM CC(C)=CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190248360 153121155 /nfs/dbraw/zinc/12/11/55/153121155.db2.gz LZZHCXUMJJZOFO-UHFFFAOYSA-N -1 3 298.364 2.456 20 5 CEBDHM COc1ccc([N-]C(=O)c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000009206288 170366649 /nfs/dbraw/zinc/36/66/49/170366649.db2.gz BKURAQGBCCSHRM-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM O=C([O-])CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000037418105 173195531 /nfs/dbraw/zinc/19/55/31/173195531.db2.gz FOVPKWOWBBQMPY-UHFFFAOYSA-N -1 3 272.688 2.203 20 5 CEBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000103202409 261277287 /nfs/dbraw/zinc/27/72/87/261277287.db2.gz KDFMJFXVKGBASP-UHFFFAOYSA-N -1 3 299.246 2.225 20 5 CEBDHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195213986 270307126 /nfs/dbraw/zinc/30/71/26/270307126.db2.gz LDPQLQCDKGKYBG-JTQLQIEISA-N -1 3 286.353 2.452 20 5 CEBDHM CC(C)(CO)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000339724635 277304453 /nfs/dbraw/zinc/30/44/53/277304453.db2.gz BGLPKERWIJMQKY-AWEZNQCLSA-N -1 3 294.351 2.187 20 5 CEBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000339086578 278266536 /nfs/dbraw/zinc/26/65/36/278266536.db2.gz RZVUUEZOBADYBV-QWRGUYRKSA-N -1 3 280.324 2.205 20 5 CEBDHM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000339507821 280190489 /nfs/dbraw/zinc/19/04/89/280190489.db2.gz FYFPRDLFSZPBLG-OCCSQVGLSA-N -1 3 280.324 2.348 20 5 CEBDHM Cc1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000001514293 302819714 /nfs/dbraw/zinc/81/97/14/302819714.db2.gz JSNUAODRLXPFID-UHFFFAOYSA-N -1 3 278.293 2.315 20 5 CEBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000543703228 313461048 /nfs/dbraw/zinc/46/10/48/313461048.db2.gz BDJDKGWQRRBUMJ-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM Cn1cc([N-]c2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC000577277643 314359629 /nfs/dbraw/zinc/35/96/29/314359629.db2.gz WTNMAEOQGPABTK-UHFFFAOYSA-N -1 3 273.296 2.346 20 5 CEBDHM CCC[C@@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821039585 606419743 /nfs/dbraw/zinc/41/97/43/606419743.db2.gz DVXWOOFRRJSGDR-KCJUWKMLSA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821039585 606419747 /nfs/dbraw/zinc/41/97/47/606419747.db2.gz DVXWOOFRRJSGDR-KCJUWKMLSA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821039578 606419861 /nfs/dbraw/zinc/41/98/61/606419861.db2.gz DVXWOOFRRJSGDR-GZMMTYOYSA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821039578 606419863 /nfs/dbraw/zinc/41/98/63/606419863.db2.gz DVXWOOFRRJSGDR-GZMMTYOYSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H]1CC[C@H](C)N1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820685340 606879403 /nfs/dbraw/zinc/87/94/03/606879403.db2.gz UCNFDGBEZYSSLY-DTORHVGOSA-N -1 3 288.311 2.152 20 5 CEBDHM C[C@@H]1CC[C@H](C)N1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820685340 606879404 /nfs/dbraw/zinc/87/94/04/606879404.db2.gz UCNFDGBEZYSSLY-DTORHVGOSA-N -1 3 288.311 2.152 20 5 CEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCC1 ZINC000824655490 607904492 /nfs/dbraw/zinc/90/44/92/607904492.db2.gz CXAQQIQKNCMOES-MRVPVSSYSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCC1 ZINC000824655490 607904493 /nfs/dbraw/zinc/90/44/93/607904493.db2.gz CXAQQIQKNCMOES-MRVPVSSYSA-N -1 3 288.311 2.375 20 5 CEBDHM CC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820876750 634559179 /nfs/dbraw/zinc/55/91/79/634559179.db2.gz UEAKTIZOOGCXFZ-QMMMGPOBSA-N -1 3 276.300 2.010 20 5 CEBDHM CC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820876750 634559190 /nfs/dbraw/zinc/55/91/90/634559190.db2.gz UEAKTIZOOGCXFZ-QMMMGPOBSA-N -1 3 276.300 2.010 20 5 CEBDHM CCC(F)(F)CNCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000895598110 630265351 /nfs/dbraw/zinc/26/53/51/630265351.db2.gz ORHXXPDTAPVHTC-UHFFFAOYSA-N -1 3 290.266 2.444 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000877742025 650885326 /nfs/dbraw/zinc/88/53/26/650885326.db2.gz XGSAPHVHHLREIX-JQWIXIFHSA-N -1 3 294.376 2.485 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000877742031 650885639 /nfs/dbraw/zinc/88/56/39/650885639.db2.gz XGSAPHVHHLREIX-ZYHUDNBSSA-N -1 3 294.376 2.485 20 5 CEBDHM O=c1ccnc(C=CC=Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000764433142 645639288 /nfs/dbraw/zinc/63/92/88/645639288.db2.gz COTDFWWQTRNPHO-JHMJBTLWSA-N -1 3 269.260 2.405 20 5 CEBDHM O=[N+]([O-])c1cc(Cl)ncc1NCc1ncccc1[O-] ZINC001169731429 811649044 /nfs/dbraw/zinc/64/90/44/811649044.db2.gz FEBVDUDWGWVJFD-UHFFFAOYSA-N -1 3 280.671 2.356 20 5 CEBDHM CCOc1cc(CN(C)C[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567595897 299064985 /nfs/dbraw/zinc/06/49/85/299064985.db2.gz RTYJTQOCYDWJER-SNVBAGLBSA-N -1 3 296.323 2.146 20 5 CEBDHM COc1cc(CNC[C@@H](OC)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000072924803 343815502 /nfs/dbraw/zinc/81/55/02/343815502.db2.gz IZPPTPMPSDQBBG-CQSZACIVSA-N -1 3 298.339 2.070 20 5 CEBDHM C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000229307049 344565598 /nfs/dbraw/zinc/56/55/98/344565598.db2.gz CGHUGFUOYVFUPS-GXFFZTMASA-N -1 3 278.308 2.280 20 5 CEBDHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057102536 362572136 /nfs/dbraw/zinc/57/21/36/362572136.db2.gz XQVLCOBYBPVZFE-NXEZZACHSA-N -1 3 286.353 2.308 20 5 CEBDHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595362515 345769401 /nfs/dbraw/zinc/76/94/01/345769401.db2.gz ZPNHZGFVAMCNEG-GFCCVEGCSA-N -1 3 284.337 2.062 20 5 CEBDHM C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695388 345851177 /nfs/dbraw/zinc/85/11/77/345851177.db2.gz HFCHMWJTTLRRMD-FZMZJTMJSA-N -1 3 294.351 2.283 20 5 CEBDHM O=c1[n-]ccc(N2CC(CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596159822 345955713 /nfs/dbraw/zinc/95/57/13/345955713.db2.gz JXFNAQJBSSZGGG-UHFFFAOYSA-N -1 3 277.202 2.084 20 5 CEBDHM CS[C@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596170647 345958615 /nfs/dbraw/zinc/95/86/15/345958615.db2.gz XTHZWWDTUOXXPV-VIFPVBQESA-N -1 3 283.353 2.417 20 5 CEBDHM CC(C)C[C@H](CCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596144622 345951001 /nfs/dbraw/zinc/95/10/01/345951001.db2.gz GPLQRLOIHOFMKI-JTQLQIEISA-N -1 3 283.328 2.152 20 5 CEBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596144240 345951281 /nfs/dbraw/zinc/95/12/81/345951281.db2.gz FJQGGNQKBOKMHY-QMMMGPOBSA-N -1 3 269.326 2.027 20 5 CEBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])OCC1CC1 ZINC000596273628 345988290 /nfs/dbraw/zinc/98/82/90/345988290.db2.gz SPHTUZSULVDXCH-UHFFFAOYSA-N -1 3 281.312 2.313 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000596278920 345990158 /nfs/dbraw/zinc/99/01/58/345990158.db2.gz OEOHNSFDEQUABC-VXNVDRBHSA-N -1 3 261.237 2.256 20 5 CEBDHM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000339288152 215069796 /nfs/dbraw/zinc/06/97/96/215069796.db2.gz WBRXTISGBSXHPU-UHFFFAOYSA-N -1 3 276.252 2.155 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)C1CC1 ZINC000604399829 347414485 /nfs/dbraw/zinc/41/44/85/347414485.db2.gz KTHLOZDFKNIHLI-SNVBAGLBSA-N -1 3 298.364 2.228 20 5 CEBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2onc(C)c2C)c1 ZINC000610493108 347685314 /nfs/dbraw/zinc/68/53/14/347685314.db2.gz ZLHKIVIBSDLVNE-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM Cc1c([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cnn1C ZINC000611617118 347799944 /nfs/dbraw/zinc/79/99/44/347799944.db2.gz HHPSPKWFXXWMHX-UHFFFAOYSA-N -1 3 261.285 2.392 20 5 CEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccncc1[O-] ZINC000131989737 366107710 /nfs/dbraw/zinc/10/77/10/366107710.db2.gz VKNSAJYSWHJACR-UHFFFAOYSA-N -1 3 287.275 2.267 20 5 CEBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1Cl)c1nnn[n-]1 ZINC000132893064 366178115 /nfs/dbraw/zinc/17/81/15/366178115.db2.gz DWKQUZGBBWHFAG-SSDOTTSWSA-N -1 3 296.718 2.001 20 5 CEBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000132893064 366178122 /nfs/dbraw/zinc/17/81/22/366178122.db2.gz DWKQUZGBBWHFAG-SSDOTTSWSA-N -1 3 296.718 2.001 20 5 CEBDHM CC/C=C/C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451777418 283102196 /nfs/dbraw/zinc/10/21/96/283102196.db2.gz RDRXDZLHMZXPGU-SNAWJCMRSA-N -1 3 284.337 2.148 20 5 CEBDHM CC[C@H](C)CON=C([O-])Nc1ccncc1[N+](=O)[O-] ZINC000297682212 200259749 /nfs/dbraw/zinc/25/97/49/200259749.db2.gz GVGQSMIQCIZELF-QMMMGPOBSA-N -1 3 268.273 2.089 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297682212 200259751 /nfs/dbraw/zinc/25/97/51/200259751.db2.gz GVGQSMIQCIZELF-QMMMGPOBSA-N -1 3 268.273 2.089 20 5 CEBDHM C[C@H]1CC[C@@](CO)(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339100305 366654546 /nfs/dbraw/zinc/65/45/46/366654546.db2.gz KIEYBDWJPSZHPQ-XHDPSFHLSA-N -1 3 294.351 2.283 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(C)noc1C ZINC000340263636 366823383 /nfs/dbraw/zinc/82/33/83/366823383.db2.gz JLIFFNRJULHREP-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM O=[N+]([O-])c1cccc(F)c1[N-]c1ccn(CC(F)F)n1 ZINC000342786591 367534525 /nfs/dbraw/zinc/53/45/25/367534525.db2.gz LBSCGYMHAHMUDI-UHFFFAOYSA-N -1 3 286.213 2.361 20 5 CEBDHM Cc1nnc([N-]C(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000183793691 368650633 /nfs/dbraw/zinc/65/06/33/368650633.db2.gz XTRZPIMYDDTBEY-UHFFFAOYSA-N -1 3 278.293 2.315 20 5 CEBDHM O=C([O-])[C@]12CCC[C@@H]1CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649467 368751588 /nfs/dbraw/zinc/75/15/88/368751588.db2.gz HTJFFZFGXXOBIX-MFKMUULPSA-N -1 3 296.348 2.343 20 5 CEBDHM Cc1ncoc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000347950666 368836653 /nfs/dbraw/zinc/83/66/53/368836653.db2.gz ILQFRRIGAAIZJV-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nncs1 ZINC000192860277 369864596 /nfs/dbraw/zinc/86/45/96/369864596.db2.gz ZMWLIWMILRPXLV-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)cc1C ZINC000332156148 377529001 /nfs/dbraw/zinc/52/90/01/377529001.db2.gz PPHDQPJFWHUFHE-QWRGUYRKSA-N -1 3 298.364 2.146 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)c1C ZINC000332190825 377537582 /nfs/dbraw/zinc/53/75/82/377537582.db2.gz QNXZEPHUSXSXEB-KOLCDFICSA-N -1 3 298.364 2.146 20 5 CEBDHM CC(C)O[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293874149 377800051 /nfs/dbraw/zinc/80/00/51/377800051.db2.gz FELFFXOTZBFMBF-UHFFFAOYSA-N -1 3 258.661 2.318 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1NC([O-])=NOC(C)C ZINC000296068163 378408356 /nfs/dbraw/zinc/40/83/56/378408356.db2.gz CXXCMOUEFDUKLZ-UHFFFAOYSA-N -1 3 269.257 2.065 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC(C)C ZINC000296068163 378408358 /nfs/dbraw/zinc/40/83/58/378408358.db2.gz CXXCMOUEFDUKLZ-UHFFFAOYSA-N -1 3 269.257 2.065 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](CCO)CC1 ZINC000421024460 394469880 /nfs/dbraw/zinc/46/98/80/394469880.db2.gz XIYDQRTXNXEDAS-LBPRGKRZSA-N -1 3 294.351 2.285 20 5 CEBDHM COc1cc(C(=O)[N-]c2nocc2C)ccc1[N+](=O)[O-] ZINC000123275265 394826146 /nfs/dbraw/zinc/82/61/46/394826146.db2.gz PZXYQHQVPWPQJA-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000565487147 395473796 /nfs/dbraw/zinc/47/37/96/395473796.db2.gz UQJHSAYMFPUEKA-QMTHXVAHSA-N -1 3 278.308 2.137 20 5 CEBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000360351791 155278022 /nfs/dbraw/zinc/27/80/22/155278022.db2.gz JKIXCGQQGYMSCU-MNOVXSKESA-N -1 3 298.364 2.309 20 5 CEBDHM C[C@H](C(=O)Nc1ncccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000580028137 321908184 /nfs/dbraw/zinc/90/81/84/321908184.db2.gz DGMSZYWPQRRWHJ-VIFPVBQESA-N -1 3 287.275 2.438 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000049282546 527405209 /nfs/dbraw/zinc/40/52/09/527405209.db2.gz DXJUOUXPLIRNNU-LLVKDONJSA-N -1 3 296.348 2.229 20 5 CEBDHM CC(C)[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735702685 574764851 /nfs/dbraw/zinc/76/48/51/574764851.db2.gz QMWFHCCKPASAEW-VIFPVBQESA-N -1 3 290.327 2.256 20 5 CEBDHM CC(C)[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735702685 574764852 /nfs/dbraw/zinc/76/48/52/574764852.db2.gz QMWFHCCKPASAEW-VIFPVBQESA-N -1 3 290.327 2.256 20 5 CEBDHM CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736402876 574786121 /nfs/dbraw/zinc/78/61/21/574786121.db2.gz PJIPZJTUHMGKOX-SECBINFHSA-N -1 3 288.311 2.154 20 5 CEBDHM CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736402876 574786122 /nfs/dbraw/zinc/78/61/22/574786122.db2.gz PJIPZJTUHMGKOX-SECBINFHSA-N -1 3 288.311 2.154 20 5 CEBDHM CC(C)N(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000311405361 601353296 /nfs/dbraw/zinc/35/32/96/601353296.db2.gz HALJGBXHQUBHHS-UHFFFAOYSA-N -1 3 270.260 2.029 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000830428678 604318179 /nfs/dbraw/zinc/31/81/79/604318179.db2.gz XJGQQUYGSCQHQQ-GHMZBOCLSA-N -1 3 293.323 2.306 20 5 CEBDHM CCC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820962086 606428547 /nfs/dbraw/zinc/42/85/47/606428547.db2.gz JGJOOVZVADRXSE-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM CCC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820962086 606428549 /nfs/dbraw/zinc/42/85/49/606428549.db2.gz JGJOOVZVADRXSE-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM Cc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c([O-])c1 ZINC000819921234 634282452 /nfs/dbraw/zinc/28/24/52/634282452.db2.gz XNBSUFYGMSEUSO-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000044623463 639347993 /nfs/dbraw/zinc/34/79/93/639347993.db2.gz WMWTXASFPGEVCB-JTQLQIEISA-N -1 3 270.260 2.029 20 5 CEBDHM Nc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000174885441 641088624 /nfs/dbraw/zinc/08/86/24/641088624.db2.gz GSOJKURLVBRJHS-UHFFFAOYSA-N -1 3 291.238 2.274 20 5 CEBDHM O=c1ccnc(C=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1 ZINC000766034000 645838592 /nfs/dbraw/zinc/83/85/92/645838592.db2.gz PACGTXXXXIETCU-RQOWECAXSA-N -1 3 288.219 2.169 20 5 CEBDHM O=c1ccnc(C=Cc2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000777920607 647190453 /nfs/dbraw/zinc/19/04/53/647190453.db2.gz YIRQPQRZJGLHPL-RQOWECAXSA-N -1 3 261.212 2.400 20 5 CEBDHM O=C([O-])[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000874051509 649742903 /nfs/dbraw/zinc/74/29/03/649742903.db2.gz RAQVMIXFRGZPAM-ACVFHECNSA-N -1 3 290.319 2.405 20 5 CEBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1nccs1 ZINC001225664956 805106353 /nfs/dbraw/zinc/10/63/53/805106353.db2.gz VIYDCECGSJMXFV-ZCFIWIBFSA-N -1 3 267.266 2.292 20 5 CEBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCCC[C@H]1F ZINC001225664122 805106650 /nfs/dbraw/zinc/10/66/50/805106650.db2.gz JXLBUIPPKQHNJU-VXNVDRBHSA-N -1 3 256.233 2.355 20 5 CEBDHM O=c1cc(Nc2ccc(C=C[N+](=O)[O-])cc2)[nH]c(=S)[n-]1 ZINC001175899205 816302516 /nfs/dbraw/zinc/30/25/16/816302516.db2.gz OGHLVYFTDRMASS-AATRIKPKSA-N -1 3 290.304 2.462 20 5 CEBDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601284144 346813092 /nfs/dbraw/zinc/81/30/92/346813092.db2.gz HDHURWNPOGMPBA-ZETCQYMHSA-N -1 3 292.382 2.432 20 5 CEBDHM CCC1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601425491 346835961 /nfs/dbraw/zinc/83/59/61/346835961.db2.gz PUULWUJDFRPDFM-UHFFFAOYSA-N -1 3 290.366 2.186 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]CCCC2CC2)c([N+](=O)[O-])c1 ZINC000076298052 343887876 /nfs/dbraw/zinc/88/78/76/343887876.db2.gz BOFNJHKAZFUUJE-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695385 345851556 /nfs/dbraw/zinc/85/15/56/345851556.db2.gz HFCHMWJTTLRRMD-BXUZGUMPSA-N -1 3 294.351 2.283 20 5 CEBDHM O=c1[n-]ccc(N[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596161977 345957006 /nfs/dbraw/zinc/95/70/06/345957006.db2.gz HUEJOJQHMATBAS-LURJTMIESA-N -1 3 259.212 2.295 20 5 CEBDHM CCO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000596144412 345951233 /nfs/dbraw/zinc/95/12/33/345951233.db2.gz DBZXALYDEBYCKY-WDEREUQCSA-N -1 3 293.323 2.455 20 5 CEBDHM CN(CC1(O)CCCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596199551 345967636 /nfs/dbraw/zinc/96/76/36/345967636.db2.gz DAMDMDVUNCLLQV-UHFFFAOYSA-N -1 3 295.339 2.217 20 5 CEBDHM CCn1ccnc1[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596258139 345982873 /nfs/dbraw/zinc/98/28/73/345982873.db2.gz VBWAVKVMSXFMIS-MRVPVSSYSA-N -1 3 277.284 2.085 20 5 CEBDHM CC1(C)[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1(F)F ZINC000596512659 346042799 /nfs/dbraw/zinc/04/27/99/346042799.db2.gz JHVVRWMXVRFWGE-SSDOTTSWSA-N -1 3 273.239 2.399 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000599105412 346460952 /nfs/dbraw/zinc/46/09/52/346460952.db2.gz ZSLLAUKOWVAMCP-NSHDSACASA-N -1 3 286.291 2.084 20 5 CEBDHM C[C@@H](CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000086807836 179339233 /nfs/dbraw/zinc/33/92/33/179339233.db2.gz NSBWDRMCBHHYIA-UWVGGRQHSA-N -1 3 266.297 2.308 20 5 CEBDHM Cc1ncc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000337293842 366130187 /nfs/dbraw/zinc/13/01/87/366130187.db2.gz HJQHJLQWOQMVNK-UHFFFAOYSA-N -1 3 253.239 2.205 20 5 CEBDHM Cc1c([N-]C(=O)c2csnn2)cccc1[N+](=O)[O-] ZINC000075453091 363464907 /nfs/dbraw/zinc/46/49/07/363464907.db2.gz ADBILAPHOHYYAF-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000570514528 299261646 /nfs/dbraw/zinc/26/16/46/299261646.db2.gz OZSYFKOPEYKYCG-PWSUYJOCSA-N -1 3 278.308 2.137 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(C1)CCOCC2 ZINC000339009522 366612086 /nfs/dbraw/zinc/61/20/86/366612086.db2.gz KWQAVWAWVFYNNJ-UHFFFAOYSA-N -1 3 292.335 2.303 20 5 CEBDHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083976616 363792868 /nfs/dbraw/zinc/79/28/68/363792868.db2.gz PBYWJKFZCRBVSC-UHFFFAOYSA-N -1 3 292.744 2.245 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CC2)c1C ZINC000121042886 365515174 /nfs/dbraw/zinc/51/51/74/365515174.db2.gz WVNVLUCPSNFYMX-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM O=C(Nc1ncccc1[O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342972907 367618232 /nfs/dbraw/zinc/61/82/32/367618232.db2.gz AAHIGWXWTIFJQH-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(NCc2cnc(C)[n-]c2=O)c1 ZINC000343608446 367914771 /nfs/dbraw/zinc/91/47/71/367914771.db2.gz RJMYDJBHFNMHSR-UHFFFAOYSA-N -1 3 274.280 2.319 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398859 370341027 /nfs/dbraw/zinc/34/10/27/370341027.db2.gz CPQJMOOYAGNRMN-ZYHUDNBSSA-N -1 3 278.308 2.452 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)[O-])C1 ZINC000226446021 370342416 /nfs/dbraw/zinc/34/24/16/370342416.db2.gz WUFCKYWDSUJLGA-NXEZZACHSA-N -1 3 264.281 2.062 20 5 CEBDHM CC(C)C[C@H](N)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000414610006 375875152 /nfs/dbraw/zinc/87/51/52/375875152.db2.gz ALRLZSZNTXDDNT-ZETCQYMHSA-N -1 3 265.273 2.019 20 5 CEBDHM C[C@@]1(CCCO)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330460446 377144856 /nfs/dbraw/zinc/14/48/56/377144856.db2.gz VPKVEFVSCSRKQL-HNNXBMFYSA-N -1 3 294.351 2.427 20 5 CEBDHM CC(C)O[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000294153069 377921612 /nfs/dbraw/zinc/92/16/12/377921612.db2.gz QGADNVLAZKYZKN-UHFFFAOYSA-N -1 3 258.661 2.318 20 5 CEBDHM O=C(Nc1ccc([O-])cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000542098083 380296255 /nfs/dbraw/zinc/29/62/55/380296255.db2.gz KORJBPAESUQJJE-UHFFFAOYSA-N -1 3 277.211 2.087 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000491996341 380411641 /nfs/dbraw/zinc/41/16/41/380411641.db2.gz DIRQDFQLVRWPEJ-BQYQJAHWSA-N -1 3 299.286 2.025 20 5 CEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189782245 130021660 /nfs/dbraw/zinc/02/16/60/130021660.db2.gz WXSUUDMNSFFRPC-SNVBAGLBSA-N -1 3 286.353 2.288 20 5 CEBDHM NC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000423744458 394974121 /nfs/dbraw/zinc/97/41/21/394974121.db2.gz NXYIHDHNNHMBIS-UHFFFAOYSA-N -1 3 299.714 2.164 20 5 CEBDHM Cc1nc([N-]C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000446090762 395485441 /nfs/dbraw/zinc/48/54/41/395485441.db2.gz MHJOXOAIZMKKHK-UHFFFAOYSA-N -1 3 295.686 2.235 20 5 CEBDHM Cc1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)no1 ZINC000045008076 175288681 /nfs/dbraw/zinc/28/86/81/175288681.db2.gz CQMUIRXLJPRZOM-UHFFFAOYSA-N -1 3 253.239 2.205 20 5 CEBDHM Nc1nc([N-]c2ccc3ccoc3c2)ncc1[N+](=O)[O-] ZINC000443515780 271864003 /nfs/dbraw/zinc/86/40/03/271864003.db2.gz DQOCEYOZNOAXIO-UHFFFAOYSA-N -1 3 271.236 2.287 20 5 CEBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]OCC(F)(F)F ZINC000135206149 280039092 /nfs/dbraw/zinc/03/90/92/280039092.db2.gz VKCTXMLKZAZPFX-ZZXKWVIFSA-N -1 3 290.197 2.218 20 5 CEBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]O[C@H]1CCCCO1 ZINC000255564502 280505512 /nfs/dbraw/zinc/50/55/12/280505512.db2.gz LRUIYAZUUIHSRR-PIZKADEWSA-N -1 3 292.291 2.182 20 5 CEBDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000175686273 281034376 /nfs/dbraw/zinc/03/43/76/281034376.db2.gz FEBYIXWWTDOYQQ-LBPRGKRZSA-N -1 3 298.364 2.452 20 5 CEBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1csc(=O)[n-]1 ZINC000471691760 290277328 /nfs/dbraw/zinc/27/73/28/290277328.db2.gz DGOZBYMHNCSBFC-UHFFFAOYSA-N -1 3 293.304 2.029 20 5 CEBDHM CC(C)CN(CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000062743368 519711879 /nfs/dbraw/zinc/71/18/79/519711879.db2.gz SDMUPNUPGUOXRP-UHFFFAOYSA-N -1 3 266.297 2.137 20 5 CEBDHM C/C(=C/CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833382864 605090695 /nfs/dbraw/zinc/09/06/95/605090695.db2.gz JENNCJMAMGKMBZ-MBACFSSFSA-N -1 3 264.281 2.276 20 5 CEBDHM CCC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000820962521 606428902 /nfs/dbraw/zinc/42/89/02/606428902.db2.gz UJGLGAQOAANYIX-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM CCC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000820962521 606428904 /nfs/dbraw/zinc/42/89/04/606428904.db2.gz UJGLGAQOAANYIX-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM COc1c([O-])ccc(CNC2(C(F)F)CC2)c1[N+](=O)[O-] ZINC000894261419 629275161 /nfs/dbraw/zinc/27/51/61/629275161.db2.gz NHCCMQWDAWCXEZ-UHFFFAOYSA-N -1 3 288.250 2.196 20 5 CEBDHM COc1c([O-])ccc(CN2CC[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000895726610 630317159 /nfs/dbraw/zinc/31/71/59/630317159.db2.gz BGTJVSNHGFOYTJ-MRVPVSSYSA-N -1 3 288.250 2.148 20 5 CEBDHM COC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000896503319 630583674 /nfs/dbraw/zinc/58/36/74/630583674.db2.gz MYNJOQNNYQJLGL-VIFPVBQESA-N -1 3 269.301 2.026 20 5 CEBDHM C[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000901463339 634134784 /nfs/dbraw/zinc/13/47/84/634134784.db2.gz QDGMPVUILQNUEB-YFKPBYRVSA-N -1 3 293.106 2.464 20 5 CEBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000775539742 646964043 /nfs/dbraw/zinc/96/40/43/646964043.db2.gz GHGLQUPZVOJVEM-UHFFFAOYSA-N -1 3 293.230 2.405 20 5 CEBDHM O=c1[nH][n-]cc1CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000865942916 647546841 /nfs/dbraw/zinc/54/68/41/647546841.db2.gz XLBYDSKUFUKNAD-QMMMGPOBSA-N -1 3 296.714 2.172 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000868522712 648156329 /nfs/dbraw/zinc/15/63/29/648156329.db2.gz LYCUKZOOGIAPPU-QMMMGPOBSA-N -1 3 270.260 2.441 20 5 CEBDHM O=C([O-])[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000874045981 649740888 /nfs/dbraw/zinc/74/08/88/649740888.db2.gz KJIAOPSHHNCLLM-DTORHVGOSA-N -1 3 284.699 2.201 20 5 CEBDHM O=C([O-])C1CC(NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000874056363 649744110 /nfs/dbraw/zinc/74/41/10/649744110.db2.gz PWYJQOHFPFCBGN-UHFFFAOYSA-N -1 3 284.699 2.201 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CC[C@H](C3CC3)O2)c1[N+](=O)[O-] ZINC000722321525 804283430 /nfs/dbraw/zinc/28/34/30/804283430.db2.gz MWABGTIVENMQRO-GXSJLCMTSA-N -1 3 279.296 2.065 20 5 CEBDHM O=C([O-])C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000042295045 362079272 /nfs/dbraw/zinc/07/92/72/362079272.db2.gz OZPKZOYCQRIHLX-GFCCVEGCSA-N -1 3 264.281 2.034 20 5 CEBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048664460 343532088 /nfs/dbraw/zinc/53/20/88/343532088.db2.gz VPPYFRDFIBJPGI-MRVPVSSYSA-N -1 3 290.316 2.201 20 5 CEBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1cocn1 ZINC000105368122 344256681 /nfs/dbraw/zinc/25/66/81/344256681.db2.gz SHOLSTZQKGBAOE-UHFFFAOYSA-N -1 3 299.189 2.437 20 5 CEBDHM Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350565264 344790098 /nfs/dbraw/zinc/79/00/98/344790098.db2.gz CFVSTXNITCWLEJ-UHFFFAOYSA-N -1 3 286.247 2.356 20 5 CEBDHM O=C([N-]c1cccc2c[nH]nc21)c1ccc([N+](=O)[O-])o1 ZINC000043693813 232176507 /nfs/dbraw/zinc/17/65/07/232176507.db2.gz QVONJBOVKCNKHC-UHFFFAOYSA-N -1 3 272.220 2.316 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1[N+](=O)[O-] ZINC000593291226 345463190 /nfs/dbraw/zinc/46/31/90/345463190.db2.gz ZPRNQNZACNLCFY-BXKDBHETSA-N -1 3 264.281 2.032 20 5 CEBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594860442 345692597 /nfs/dbraw/zinc/69/25/97/345692597.db2.gz DPJHAVQPCACYPU-CYBMUJFWSA-N -1 3 298.364 2.452 20 5 CEBDHM CS[C@@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596170646 345958772 /nfs/dbraw/zinc/95/87/72/345958772.db2.gz XTHZWWDTUOXXPV-SECBINFHSA-N -1 3 283.353 2.417 20 5 CEBDHM C[C@H](COCC(F)(F)F)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596091865 345937673 /nfs/dbraw/zinc/93/76/73/345937673.db2.gz GCPREWYVAQKUQV-ZCFIWIBFSA-N -1 3 295.217 2.075 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000596149053 345952259 /nfs/dbraw/zinc/95/22/59/345952259.db2.gz OYFQAANEOYPBIR-CQSZACIVSA-N -1 3 293.323 2.092 20 5 CEBDHM C[C@@]12CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000596238373 345977485 /nfs/dbraw/zinc/97/74/85/345977485.db2.gz RARFNVBFVHUEHS-GZMMTYOYSA-N -1 3 285.250 2.177 20 5 CEBDHM C[C@@H]1SCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596291863 345992893 /nfs/dbraw/zinc/99/28/93/345992893.db2.gz KWNNDCWWNGDNJS-NKWVEPMBSA-N -1 3 255.299 2.001 20 5 CEBDHM C[C@H]1C[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596193725 345966626 /nfs/dbraw/zinc/96/66/26/345966626.db2.gz NAQKOLZBUDLKQI-VHSXEESVSA-N -1 3 281.312 2.313 20 5 CEBDHM CC1(F)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000601246561 346800942 /nfs/dbraw/zinc/80/09/42/346800942.db2.gz UTMPNFABFXCZKF-UHFFFAOYSA-N -1 3 255.249 2.024 20 5 CEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000357383298 233060521 /nfs/dbraw/zinc/06/05/21/233060521.db2.gz XODKJXZPWZVQNN-UHFFFAOYSA-N -1 3 286.287 2.273 20 5 CEBDHM CC(C)(CCC(=O)[N-]OCc1ccccc1)[N+](=O)[O-] ZINC000294353001 199008732 /nfs/dbraw/zinc/00/87/32/199008732.db2.gz JEIBBIZEKGSZHI-UHFFFAOYSA-N -1 3 266.297 2.070 20 5 CEBDHM Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c([O-])c1 ZINC000294473595 199053955 /nfs/dbraw/zinc/05/39/55/199053955.db2.gz VDNJKIBAEBGEJN-UHFFFAOYSA-N -1 3 266.297 2.475 20 5 CEBDHM CC(C)(C)[C@@H](CCO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339074760 366642030 /nfs/dbraw/zinc/64/20/30/366642030.db2.gz HMRRNTMVDKZXLH-CYBMUJFWSA-N -1 3 282.340 2.187 20 5 CEBDHM COc1cc(C(=O)[N-]c2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000340253850 366820223 /nfs/dbraw/zinc/82/02/23/366820223.db2.gz FCQCSTKEELXYIO-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1[N+](=O)[O-] ZINC000032032515 361724469 /nfs/dbraw/zinc/72/44/69/361724469.db2.gz UWRNBZXZKYNYTN-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM O=C(Nc1ccc([O-])cc1F)c1cc([N+](=O)[O-])c[nH]1 ZINC000085203842 363832834 /nfs/dbraw/zinc/83/28/34/363832834.db2.gz LBCVOWJMCVGTPU-UHFFFAOYSA-N -1 3 265.200 2.020 20 5 CEBDHM O=C(Nc1cc(F)ccc1[O-])c1cc([N+](=O)[O-])c[nH]1 ZINC000340315390 366847179 /nfs/dbraw/zinc/84/71/79/366847179.db2.gz YLZMRKNWOHJJMW-UHFFFAOYSA-N -1 3 265.200 2.020 20 5 CEBDHM O=C(Nc1ccc2[nH]ccc2c1)c1cc([N+](=O)[O-])cnc1[O-] ZINC000113415593 364893228 /nfs/dbraw/zinc/89/32/28/364893228.db2.gz LSZGJRVIOHTIBQ-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM O=C(Nc1ccc2[nH]ccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000113415593 364893233 /nfs/dbraw/zinc/89/32/33/364893233.db2.gz LSZGJRVIOHTIBQ-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM Cc1ncc(CNc2c(F)cccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000342838664 367563356 /nfs/dbraw/zinc/56/33/56/367563356.db2.gz ICWQMEDVMUSPEX-UHFFFAOYSA-N -1 3 278.243 2.150 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000345939146 368488481 /nfs/dbraw/zinc/48/84/81/368488481.db2.gz YYIIYXMDNLZBRV-UHFFFAOYSA-N -1 3 279.277 2.318 20 5 CEBDHM Cc1ccc(O)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000345939146 368488485 /nfs/dbraw/zinc/48/84/85/368488485.db2.gz YYIIYXMDNLZBRV-UHFFFAOYSA-N -1 3 279.277 2.318 20 5 CEBDHM CSCCO[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000279952020 375041960 /nfs/dbraw/zinc/04/19/60/375041960.db2.gz IZXLSGFBBGEAEH-UHFFFAOYSA-N -1 3 290.728 2.273 20 5 CEBDHM O=C1[N-]C(=O)c2cc(NCc3cccc([N+](=O)[O-])c3)ccc21 ZINC000314305524 376769064 /nfs/dbraw/zinc/76/90/64/376769064.db2.gz FOFOJXDQUDRVAH-UHFFFAOYSA-N -1 3 297.270 2.091 20 5 CEBDHM CC[C@@]1(CO)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330457984 377141665 /nfs/dbraw/zinc/14/16/65/377141665.db2.gz RBVLDJWALUOMAW-AWEZNQCLSA-N -1 3 280.324 2.037 20 5 CEBDHM Cc1c(NC(=O)[N-]OCC2CC2)cccc1[N+](=O)[O-] ZINC000292839911 377307071 /nfs/dbraw/zinc/30/70/71/377307071.db2.gz QKFVKIYNRVLTRF-UHFFFAOYSA-N -1 3 265.269 2.366 20 5 CEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OCC1CC1 ZINC000293704086 377711375 /nfs/dbraw/zinc/71/13/75/377711375.db2.gz DVJIYAXDDFWCJZ-UHFFFAOYSA-N -1 3 284.699 2.249 20 5 CEBDHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649471 217975063 /nfs/dbraw/zinc/97/50/63/217975063.db2.gz HTJFFZFGXXOBIX-ZWNOBZJWSA-N -1 3 296.348 2.343 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ncccc1[O-] ZINC000491998943 380413566 /nfs/dbraw/zinc/41/35/66/380413566.db2.gz ITBMXFOXISRFDJ-VOTSOKGWSA-N -1 3 299.286 2.025 20 5 CEBDHM O=[N+]([O-])c1cc(Cl)ccc1Sc1n[n-]c(CO)n1 ZINC000574856560 299532604 /nfs/dbraw/zinc/53/26/04/299532604.db2.gz WXHGNFBZCXMUTP-UHFFFAOYSA-N -1 3 286.700 2.010 20 5 CEBDHM O=C([O-])C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000038027752 394497879 /nfs/dbraw/zinc/49/78/79/394497879.db2.gz YQQYVVWYKHGGLH-CYBMUJFWSA-N -1 3 278.308 2.424 20 5 CEBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCCN1 ZINC000423742494 394974026 /nfs/dbraw/zinc/97/40/26/394974026.db2.gz LKWMPOAIAPPQQN-QMMMGPOBSA-N -1 3 299.714 2.034 20 5 CEBDHM O=C([N-]c1ccncc1F)c1csc([N+](=O)[O-])c1 ZINC000179288024 395189834 /nfs/dbraw/zinc/18/98/34/395189834.db2.gz KJLVZPQAPNXHQL-UHFFFAOYSA-N -1 3 267.241 2.443 20 5 CEBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]OC/C=C/Cl ZINC000493777663 395674178 /nfs/dbraw/zinc/67/41/78/395674178.db2.gz LVKWVQWBISVHRU-PDKGVYRNSA-N -1 3 282.683 2.408 20 5 CEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590588782 400614922 /nfs/dbraw/zinc/61/49/22/400614922.db2.gz KAKWBTHZWPWKKV-MRVPVSSYSA-N -1 3 290.316 2.119 20 5 CEBDHM CC(C)(CCNCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263057242 154013123 /nfs/dbraw/zinc/01/31/23/154013123.db2.gz LXQVRGANENQGGO-UHFFFAOYSA-N -1 3 284.287 2.324 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ncccn3)c2)n1 ZINC000178234837 165228309 /nfs/dbraw/zinc/22/83/09/165228309.db2.gz IPPKJAVCBKAHMX-UHFFFAOYSA-N -1 3 297.278 2.018 20 5 CEBDHM Cc1c(CN2CCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000035649617 172326128 /nfs/dbraw/zinc/32/61/28/172326128.db2.gz RGAKJPXPNRBOTQ-CYBMUJFWSA-N -1 3 278.308 2.342 20 5 CEBDHM Cc1c(CN2CCC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000035649615 172326296 /nfs/dbraw/zinc/32/62/96/172326296.db2.gz SKWGPVKQAAUCJA-GFCCVEGCSA-N -1 3 278.308 2.200 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000339050185 280369197 /nfs/dbraw/zinc/36/91/97/280369197.db2.gz FVTBMLXENPDABB-NEPJUHHUSA-N -1 3 292.335 2.159 20 5 CEBDHM Cc1cc(NCCN2CCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577117120 314343160 /nfs/dbraw/zinc/34/31/60/314343160.db2.gz LAMXSKCNCPJZAM-UHFFFAOYSA-N -1 3 293.323 2.109 20 5 CEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCC1CC1 ZINC000738357555 574859409 /nfs/dbraw/zinc/85/94/09/574859409.db2.gz FHGAVZNRRXCDHF-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCC1CC1 ZINC000738357555 574859410 /nfs/dbraw/zinc/85/94/10/574859410.db2.gz FHGAVZNRRXCDHF-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM CC[C@@](C)(CC(=O)[O-])NCc1c(F)cccc1[N+](=O)[O-] ZINC000828664494 601556954 /nfs/dbraw/zinc/55/69/54/601556954.db2.gz ATAQQVJXCMSKDD-ZDUSSCGKSA-N -1 3 284.287 2.467 20 5 CEBDHM CC(C)(CC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1F ZINC000826537961 604442012 /nfs/dbraw/zinc/44/20/12/604442012.db2.gz DEXAUQLCXXAIMX-UHFFFAOYSA-N -1 3 270.260 2.077 20 5 CEBDHM Cn1ncc([N-]c2ncccc2[N+](=O)[O-])c1C1CC1 ZINC000770131744 646361148 /nfs/dbraw/zinc/36/11/48/646361148.db2.gz ZODLQMQXJXLNHM-UHFFFAOYSA-N -1 3 259.269 2.344 20 5 CEBDHM COc1cc(C=Cc2nccc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000770572754 646409026 /nfs/dbraw/zinc/40/90/26/646409026.db2.gz RWGRCJPZSQFKPG-HWKANZROSA-N -1 3 273.248 2.269 20 5 CEBDHM O=C([N-]c1cnnc(Cl)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001129134558 809770510 /nfs/dbraw/zinc/77/05/10/809770510.db2.gz CNNVKRCGXDMFFL-UHFFFAOYSA-N -1 3 296.645 2.430 20 5 CEBDHM Cc1nc(Nc2ccc(C=C[N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC001175898605 816303193 /nfs/dbraw/zinc/30/31/93/816303193.db2.gz BPFIEGBAJPCNHL-VOTSOKGWSA-N -1 3 272.264 2.482 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]C2(C)CCC2)c([N+](=O)[O-])s1 ZINC000601378394 346829448 /nfs/dbraw/zinc/82/94/48/346829448.db2.gz ROOXHHAGZKXHBJ-UHFFFAOYSA-N -1 3 290.366 2.186 20 5 CEBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c([O-])c1 ZINC000040421474 361992970 /nfs/dbraw/zinc/99/29/70/361992970.db2.gz ZMIOPMDZCMBFTA-UHFFFAOYSA-N -1 3 275.264 2.200 20 5 CEBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]O[C@@H]1CCCCO1 ZINC000128236719 365781105 /nfs/dbraw/zinc/78/11/05/365781105.db2.gz LRUIYAZUUIHSRR-VIIAAUOXSA-N -1 3 292.291 2.182 20 5 CEBDHM CCCO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493147607 290741462 /nfs/dbraw/zinc/74/14/62/290741462.db2.gz IHDSKABQOWTXDC-BQYQJAHWSA-N -1 3 250.254 2.066 20 5 CEBDHM C[C@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054067527 362507384 /nfs/dbraw/zinc/50/73/84/362507384.db2.gz JEEPXYRWBIXHBD-SSDOTTSWSA-N -1 3 272.688 2.153 20 5 CEBDHM CC(C)[C@H](CNCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000594540258 345644621 /nfs/dbraw/zinc/64/46/21/345644621.db2.gz UCUKTOGHVDYIPE-VIFPVBQESA-N -1 3 272.326 2.103 20 5 CEBDHM CC[C@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596160233 345955745 /nfs/dbraw/zinc/95/57/45/345955745.db2.gz BLNDBMBMPYAJHR-GFCCVEGCSA-N -1 3 251.286 2.322 20 5 CEBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCS1 ZINC000596163880 345956929 /nfs/dbraw/zinc/95/69/29/345956929.db2.gz SGKWQCFHGXQDHP-LLVKDONJSA-N -1 3 269.326 2.393 20 5 CEBDHM Cc1csc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596071555 345932816 /nfs/dbraw/zinc/93/28/16/345932816.db2.gz QVFZQTDPXXJQSY-UHFFFAOYSA-N -1 3 280.309 2.115 20 5 CEBDHM CCOC(=O)[C@@H](CC)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596150524 345952664 /nfs/dbraw/zinc/95/26/64/345952664.db2.gz COMPJPRTWOIYHC-SSDOTTSWSA-N -1 3 286.309 2.129 20 5 CEBDHM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596224644 345974534 /nfs/dbraw/zinc/97/45/34/345974534.db2.gz XWTXLEHDCQYMSV-BQBZGAKWSA-N -1 3 291.229 2.473 20 5 CEBDHM CC(C)OC(=O)CC[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596226909 345974597 /nfs/dbraw/zinc/97/45/97/345974597.db2.gz ZWYYTFWJZDZTHR-VIFPVBQESA-N -1 3 297.311 2.228 20 5 CEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCC1(F)F ZINC000596236838 345976923 /nfs/dbraw/zinc/97/69/23/345976923.db2.gz MROPIPYAZIHYFE-SSDOTTSWSA-N -1 3 273.239 2.177 20 5 CEBDHM C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596274198 345988020 /nfs/dbraw/zinc/98/80/20/345988020.db2.gz BYMBMRWUGAWMKK-HRDYMLBCSA-N -1 3 251.286 2.176 20 5 CEBDHM CCO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1SC ZINC000596291448 345992792 /nfs/dbraw/zinc/99/27/92/345992792.db2.gz JKYUEIRUTDBGBC-KKZNHRDASA-N -1 3 299.352 2.016 20 5 CEBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1(F)F ZINC000596476028 346032772 /nfs/dbraw/zinc/03/27/72/346032772.db2.gz GFIAEIMLJAFGJB-SECBINFHSA-N -1 3 259.212 2.153 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000599105411 346460960 /nfs/dbraw/zinc/46/09/60/346460960.db2.gz ZSLLAUKOWVAMCP-LLVKDONJSA-N -1 3 286.291 2.084 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600800248 346692271 /nfs/dbraw/zinc/69/22/71/346692271.db2.gz JYZMQCJMGPSUDR-RISCZKNCSA-N -1 3 292.335 2.446 20 5 CEBDHM CCC(CC)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104751523 186020382 /nfs/dbraw/zinc/02/03/82/186020382.db2.gz QYJXNBLKQOECSY-UHFFFAOYSA-N -1 3 286.353 2.309 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000292109101 198166740 /nfs/dbraw/zinc/16/67/40/198166740.db2.gz HAAQGITWWZGTKT-SNVBAGLBSA-N -1 3 266.297 2.231 20 5 CEBDHM CC(C)CO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000135331566 366427558 /nfs/dbraw/zinc/42/75/58/366427558.db2.gz WFCKHZKCAXBYFK-BQYQJAHWSA-N -1 3 264.281 2.312 20 5 CEBDHM CC[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119236454 365241778 /nfs/dbraw/zinc/24/17/78/365241778.db2.gz NFIKZYDULKTOLY-VIFPVBQESA-N -1 3 286.353 2.288 20 5 CEBDHM O=C([O-])CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000340679730 366983050 /nfs/dbraw/zinc/98/30/50/366983050.db2.gz MUCXDSNWILTHMT-UHFFFAOYSA-N -1 3 290.275 2.419 20 5 CEBDHM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000186947298 369073347 /nfs/dbraw/zinc/07/33/47/369073347.db2.gz SHADAHOAUPDTNZ-VIFPVBQESA-N -1 3 299.286 2.459 20 5 CEBDHM COc1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1O ZINC000352858848 369917313 /nfs/dbraw/zinc/91/73/13/369917313.db2.gz XOGODKPCJIPWIU-UHFFFAOYSA-N -1 3 278.220 2.154 20 5 CEBDHM Cc1ccncc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000354996487 370499854 /nfs/dbraw/zinc/49/98/54/370499854.db2.gz FQCPCCLJEKQICG-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM CN(Cc1csc([N+](=O)[O-])c1)C1(C(=O)[O-])CCCC1 ZINC000382251338 375184912 /nfs/dbraw/zinc/18/49/12/375184912.db2.gz ANNJEBJBYOFPKE-UHFFFAOYSA-N -1 3 284.337 2.486 20 5 CEBDHM CC(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048660321 394521111 /nfs/dbraw/zinc/52/11/11/394521111.db2.gz GDGVHGHEILXBMW-UHFFFAOYSA-N -1 3 290.316 2.058 20 5 CEBDHM Cc1ccc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263102900 154017847 /nfs/dbraw/zinc/01/78/47/154017847.db2.gz XDVVAJGQCFIXNW-ZWNOBZJWSA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1cc([N-]C(=O)COc2ccc([N+](=O)[O-])c(C)c2)on1 ZINC000021481629 262386248 /nfs/dbraw/zinc/38/62/48/262386248.db2.gz LKAKZDBCXSHLFG-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM CC/C=C\C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451781866 262957041 /nfs/dbraw/zinc/95/70/41/262957041.db2.gz YNLMHZPQDIQTJA-WAYWQWQTSA-N -1 3 298.364 2.456 20 5 CEBDHM Cc1cc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)no1 ZINC000340462035 280298753 /nfs/dbraw/zinc/29/87/53/280298753.db2.gz ODPMGIREXQVPQW-UHFFFAOYSA-N -1 3 287.231 2.312 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CC[C@H](C)C1 ZINC000131917180 302050147 /nfs/dbraw/zinc/05/01/47/302050147.db2.gz UAVFEZPEMDKMIC-ONGXEEELSA-N -1 3 298.364 2.370 20 5 CEBDHM CCC[C@H](C)[C@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000570336074 314034033 /nfs/dbraw/zinc/03/40/33/314034033.db2.gz SFDWCIZYCMGHNW-GWCFXTLKSA-N -1 3 282.340 2.187 20 5 CEBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OCC(F)(F)F ZINC000379614323 321826399 /nfs/dbraw/zinc/82/63/99/321826399.db2.gz ZUXCOTOIQOXKFL-PLNGDYQASA-N -1 3 290.197 2.218 20 5 CEBDHM CC1(C)CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820597067 599522613 /nfs/dbraw/zinc/52/26/13/599522613.db2.gz YHEGMGDXTQIANN-UHFFFAOYSA-N -1 3 288.311 2.154 20 5 CEBDHM CC1(C)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820597067 599522616 /nfs/dbraw/zinc/52/26/16/599522616.db2.gz YHEGMGDXTQIANN-UHFFFAOYSA-N -1 3 288.311 2.154 20 5 CEBDHM Cc1ccc([C@H](C)N[C@H]2CCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830257449 604316591 /nfs/dbraw/zinc/31/65/91/604316591.db2.gz UOZOHIPYVMAHML-JQWIXIFHSA-N -1 3 293.323 2.306 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(C(=O)[O-])C1 ZINC000830428680 604317919 /nfs/dbraw/zinc/31/79/19/604317919.db2.gz XJGQQUYGSCQHQQ-QWRGUYRKSA-N -1 3 293.323 2.306 20 5 CEBDHM C/C(=C\CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833382868 605091281 /nfs/dbraw/zinc/09/12/81/605091281.db2.gz JENNCJMAMGKMBZ-ZKXNXJMVSA-N -1 3 264.281 2.276 20 5 CEBDHM CCC[C@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821039586 606419594 /nfs/dbraw/zinc/41/95/94/606419594.db2.gz DVXWOOFRRJSGDR-KWQFWETISA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821039586 606419595 /nfs/dbraw/zinc/41/95/95/606419595.db2.gz DVXWOOFRRJSGDR-KWQFWETISA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H](C[C@@H](O)c1ccco1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853444893 643772614 /nfs/dbraw/zinc/77/26/14/643772614.db2.gz OFTWCMXRRNLFNU-WCBMZHEXSA-N -1 3 293.279 2.213 20 5 CEBDHM O=C([N-][C@H]1C=CCC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000853825310 643912142 /nfs/dbraw/zinc/91/21/42/643912142.db2.gz IZBCXUDHRXMAJV-VIFPVBQESA-N -1 3 298.245 2.401 20 5 CEBDHM CC[C@@](C)(CC(=O)OC)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000763442998 645546885 /nfs/dbraw/zinc/54/68/85/645546885.db2.gz COFAZXGIUYYZCX-AWEZNQCLSA-N -1 3 296.323 2.122 20 5 CEBDHM CC[C@@H](COC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747242 805971144 /nfs/dbraw/zinc/97/11/44/805971144.db2.gz YZJAEAQBAFXXBT-VIFPVBQESA-N -1 3 265.269 2.275 20 5 CEBDHM CC[C@@H](COC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747242 805971149 /nfs/dbraw/zinc/97/11/49/805971149.db2.gz YZJAEAQBAFXXBT-VIFPVBQESA-N -1 3 265.269 2.275 20 5 CEBDHM CC[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000723843991 802946757 /nfs/dbraw/zinc/94/67/57/802946757.db2.gz WHAIVKRSZNQVBB-ZJUUUORDSA-N -1 3 281.312 2.313 20 5 CEBDHM Cc1cnccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176671990 816452364 /nfs/dbraw/zinc/45/23/64/816452364.db2.gz GAHXCGJYFZKVFV-UHFFFAOYSA-N -1 3 273.248 2.162 20 5 CEBDHM CCCO[N-]C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001143266240 816822220 /nfs/dbraw/zinc/82/22/20/816822220.db2.gz RUFMWLLHUQEWIS-UHFFFAOYSA-N -1 3 272.688 2.249 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C)c([N+](=O)[O-])s1 ZINC000601315131 346817247 /nfs/dbraw/zinc/81/72/47/346817247.db2.gz WJRUSELKQVTPEH-UHFFFAOYSA-N -1 3 292.382 2.289 20 5 CEBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1nnc2ccccc2n1 ZINC000350780449 219059890 /nfs/dbraw/zinc/05/98/90/219059890.db2.gz GKYYEHGQDMVNBM-UHFFFAOYSA-N -1 3 295.258 2.185 20 5 CEBDHM O=c1[n-]ccc(NCCCOCC(F)(F)F)c1[N+](=O)[O-] ZINC000596076405 345934272 /nfs/dbraw/zinc/93/42/72/345934272.db2.gz QHNFIYSFDDASOM-UHFFFAOYSA-N -1 3 295.217 2.076 20 5 CEBDHM O=c1[n-]ccc(NCc2nnc(C3CC3)s2)c1[N+](=O)[O-] ZINC000596274257 345988473 /nfs/dbraw/zinc/98/84/73/345988473.db2.gz PYMNOLXWPLJZIO-UHFFFAOYSA-N -1 3 293.308 2.036 20 5 CEBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](CC)O1 ZINC000596279695 345990295 /nfs/dbraw/zinc/99/02/95/345990295.db2.gz ZQJIQONFLYOJFY-UWVGGRQHSA-N -1 3 281.312 2.089 20 5 CEBDHM CCC[C@@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCOC1 ZINC000339193824 215004163 /nfs/dbraw/zinc/00/41/63/215004163.db2.gz MUIVSONPKQEQEY-CQSZACIVSA-N -1 3 280.324 2.349 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(N2Cc3nc(C)[n-]c(=O)c3C2)c1 ZINC000603414964 347364090 /nfs/dbraw/zinc/36/40/90/347364090.db2.gz BWKPLFKYRNVNQM-UHFFFAOYSA-N -1 3 286.291 2.227 20 5 CEBDHM CCc1cc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)no1 ZINC000610076017 347659334 /nfs/dbraw/zinc/65/93/34/347659334.db2.gz XSUYUFSBXGUIOP-UHFFFAOYSA-N -1 3 281.293 2.189 20 5 CEBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000492022909 290566666 /nfs/dbraw/zinc/56/66/66/290566666.db2.gz XHYMLWTYVTUOIH-VMPITWQZSA-N -1 3 299.286 2.025 20 5 CEBDHM O=C([N-]c1cnns1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357122291 370806678 /nfs/dbraw/zinc/80/66/78/370806678.db2.gz VDKTTZLUHWHTQP-UHFFFAOYSA-N -1 3 290.260 2.445 20 5 CEBDHM O=C([N-]OCCC(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000162676996 367177913 /nfs/dbraw/zinc/17/79/13/367177913.db2.gz IUAKWXINKKGIMK-UHFFFAOYSA-N -1 3 284.215 2.270 20 5 CEBDHM CCc1[nH]nc(C(=O)[N-]c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000171367254 367528103 /nfs/dbraw/zinc/52/81/03/367528103.db2.gz PSOQHQGMVNMJAA-UHFFFAOYSA-N -1 3 296.233 2.411 20 5 CEBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000186778362 369040004 /nfs/dbraw/zinc/04/00/04/369040004.db2.gz RNIWNFWGZKCDPE-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000300425036 379173157 /nfs/dbraw/zinc/17/31/57/379173157.db2.gz PJBSTHPKBGDIDV-GXFFZTMASA-N -1 3 278.308 2.280 20 5 CEBDHM CCc1coc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000551957901 380668084 /nfs/dbraw/zinc/66/80/84/380668084.db2.gz UCXOBAVWENWFJW-UHFFFAOYSA-N -1 3 293.283 2.244 20 5 CEBDHM CC(C)(NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633556 184699476 /nfs/dbraw/zinc/69/94/76/184699476.db2.gz GKZYDBFOABGXPH-UHFFFAOYSA-N -1 3 272.688 2.201 20 5 CEBDHM Cc1cscc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444968447 395458026 /nfs/dbraw/zinc/45/80/26/395458026.db2.gz PIZGZTVIGCHKBK-UHFFFAOYSA-N -1 3 279.277 2.318 20 5 CEBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1ncccc1[O-] ZINC000569155766 395573724 /nfs/dbraw/zinc/57/37/24/395573724.db2.gz KMNHAPGHTKYIIY-UHFFFAOYSA-N -1 3 287.319 2.370 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000104762338 292184470 /nfs/dbraw/zinc/18/44/70/292184470.db2.gz FXUMFCVXISVGII-MNOVXSKESA-N -1 3 298.364 2.370 20 5 CEBDHM CO[C@H]1C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000344695911 286100789 /nfs/dbraw/zinc/10/07/89/286100789.db2.gz MZGASHCCLHKELN-OLZOCXBDSA-N -1 3 280.324 2.204 20 5 CEBDHM CC(C)C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000175829750 165147597 /nfs/dbraw/zinc/14/75/97/165147597.db2.gz JSJMARNOMVCARC-UHFFFAOYSA-N -1 3 298.364 2.309 20 5 CEBDHM COc1ccc(CN2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000035297355 172110809 /nfs/dbraw/zinc/11/08/09/172110809.db2.gz MERDNJAHHVEULI-LLVKDONJSA-N -1 3 294.307 2.043 20 5 CEBDHM Cc1c(CN2CCC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000035649614 172325797 /nfs/dbraw/zinc/32/57/97/172325797.db2.gz SKWGPVKQAAUCJA-LBPRGKRZSA-N -1 3 278.308 2.200 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C ZINC000104762577 302049852 /nfs/dbraw/zinc/04/98/52/302049852.db2.gz PFPHOBSVXSEIQG-ONGXEEELSA-N -1 3 298.364 2.370 20 5 CEBDHM CC(C)c1scnc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000572616368 314133205 /nfs/dbraw/zinc/13/32/05/314133205.db2.gz WXHZTXYFCZBNMZ-UHFFFAOYSA-N -1 3 281.297 2.150 20 5 CEBDHM CC(C)c1csc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000357903329 528240755 /nfs/dbraw/zinc/24/07/55/528240755.db2.gz ALRVKWSCLMFPOU-UHFFFAOYSA-N -1 3 295.324 2.161 20 5 CEBDHM CC1(C)C[C@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736212460 574778364 /nfs/dbraw/zinc/77/83/64/574778364.db2.gz ZXNYCYBZDYPQOY-VIFPVBQESA-N -1 3 288.311 2.233 20 5 CEBDHM CC1(C)C[C@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736212460 574778365 /nfs/dbraw/zinc/77/83/65/574778365.db2.gz ZXNYCYBZDYPQOY-VIFPVBQESA-N -1 3 288.311 2.233 20 5 CEBDHM CC(C)[C@@](C)(CNC(=O)[O-])NCc1ccccc1[N+](=O)[O-] ZINC000738769014 574877542 /nfs/dbraw/zinc/87/75/42/574877542.db2.gz DMDUDHBJCSABOC-CQSZACIVSA-N -1 3 295.339 2.367 20 5 CEBDHM CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCN(C(=O)[O-])C1 ZINC000739716888 574932063 /nfs/dbraw/zinc/93/20/63/574932063.db2.gz WFARYBDNIKMNOF-LLVKDONJSA-N -1 3 293.323 2.027 20 5 CEBDHM Cc1ccc(CN[C@@H](CNC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000740130813 574944533 /nfs/dbraw/zinc/94/45/33/574944533.db2.gz WFYTVWUDFXVVRJ-LBPRGKRZSA-N -1 3 293.323 2.039 20 5 CEBDHM COc1c([O-])ccc(CN2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000893311472 628291025 /nfs/dbraw/zinc/29/10/25/628291025.db2.gz XPLKTSFOTUIVFD-UHFFFAOYSA-N -1 3 288.250 2.150 20 5 CEBDHM COc1cc(F)c([N+](=O)[O-])c(NCc2ncccc2[O-])c1 ZINC000795207996 629478189 /nfs/dbraw/zinc/47/81/89/629478189.db2.gz DGINDVKIEFGDGF-UHFFFAOYSA-N -1 3 293.254 2.455 20 5 CEBDHM CCO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000905767399 636454214 /nfs/dbraw/zinc/45/42/14/636454214.db2.gz MABSKEMIUHMMIW-UHFFFAOYSA-N -1 3 272.688 2.249 20 5 CEBDHM C[C@H](C[C@@H](O)c1ccco1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853444891 643772211 /nfs/dbraw/zinc/77/22/11/643772211.db2.gz OFTWCMXRRNLFNU-PSASIEDQSA-N -1 3 293.279 2.213 20 5 CEBDHM C[C@@H](C[C@H](O)c1ccco1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853444894 643772673 /nfs/dbraw/zinc/77/26/73/643772673.db2.gz OFTWCMXRRNLFNU-WPRPVWTQSA-N -1 3 293.279 2.213 20 5 CEBDHM CC[C@](C)(CC(=O)OC)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000763442999 645547051 /nfs/dbraw/zinc/54/70/51/645547051.db2.gz COFAZXGIUYYZCX-CQSZACIVSA-N -1 3 296.323 2.122 20 5 CEBDHM COC(C)(C)C[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664759 805105651 /nfs/dbraw/zinc/10/56/51/805105651.db2.gz SVZIUOMDCRLOLY-QMMMGPOBSA-N -1 3 270.285 2.278 20 5 CEBDHM CN(C)c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001169733069 811650850 /nfs/dbraw/zinc/65/08/50/811650850.db2.gz RPIPNSUPHRNGII-UHFFFAOYSA-N -1 3 288.307 2.374 20 5 CEBDHM COc1nonc1[N-]c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175898700 816302826 /nfs/dbraw/zinc/30/28/26/816302826.db2.gz DRXNEPLXBGMQBE-VOTSOKGWSA-N -1 3 262.225 2.069 20 5 CEBDHM CCc1nc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000123118107 816597314 /nfs/dbraw/zinc/59/73/14/816597314.db2.gz ZVZHAQPCVGATLL-UHFFFAOYSA-N -1 3 295.686 2.181 20 5 CEBDHM CC1(C)C[C@@H](O)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000449616266 282305292 /nfs/dbraw/zinc/30/52/92/282305292.db2.gz CLUKBXXSGQPIPE-ZDUSSCGKSA-N -1 3 294.351 2.283 20 5 CEBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000132720384 344364962 /nfs/dbraw/zinc/36/49/62/344364962.db2.gz KIDDPWDQUIWIDC-UHFFFAOYSA-N -1 3 290.250 2.370 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(C(=O)[O-])C1 ZINC000227825942 344556909 /nfs/dbraw/zinc/55/69/09/344556909.db2.gz RPOPQXKQYVEBPN-HZMBPMFUSA-N -1 3 278.308 2.452 20 5 CEBDHM CCCO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493147608 290741600 /nfs/dbraw/zinc/74/16/00/290741600.db2.gz IHDSKABQOWTXDC-FPLPWBNLSA-N -1 3 250.254 2.066 20 5 CEBDHM CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000592423306 345351871 /nfs/dbraw/zinc/35/18/71/345351871.db2.gz QJFXRSNXAPNPQN-JTQLQIEISA-N -1 3 272.688 2.201 20 5 CEBDHM C[C@H](N[C@@H](C)[C@H](C)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000593730122 345528656 /nfs/dbraw/zinc/52/86/56/345528656.db2.gz KRANCLWNJAYXAF-GUBZILKMSA-N -1 3 266.297 2.355 20 5 CEBDHM CC[C@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594860444 345692354 /nfs/dbraw/zinc/69/23/54/345692354.db2.gz DPJHAVQPCACYPU-ZDUSSCGKSA-N -1 3 298.364 2.452 20 5 CEBDHM CC(C)Cn1ccnc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596146068 345951705 /nfs/dbraw/zinc/95/17/05/345951705.db2.gz KWMLWTVMJNVFLC-UHFFFAOYSA-N -1 3 291.311 2.160 20 5 CEBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596207642 345969221 /nfs/dbraw/zinc/96/92/21/345969221.db2.gz MMLSTDFSZAFKPC-CQSZACIVSA-N -1 3 295.339 2.439 20 5 CEBDHM CCC(O)(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596208001 345970180 /nfs/dbraw/zinc/97/01/80/345970180.db2.gz UUCPSQTVHNNJLK-UHFFFAOYSA-N -1 3 269.301 2.049 20 5 CEBDHM CC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596214921 345970975 /nfs/dbraw/zinc/97/09/75/345970975.db2.gz NCPKWKBUMWJNFK-UHFFFAOYSA-N -1 3 283.353 2.417 20 5 CEBDHM CCCCN(C)C(=O)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596217250 345972326 /nfs/dbraw/zinc/97/23/26/345972326.db2.gz BOCYHYOQKFRTCB-UHFFFAOYSA-N -1 3 299.352 2.046 20 5 CEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000596274200 345988203 /nfs/dbraw/zinc/98/82/03/345988203.db2.gz BYMBMRWUGAWMKK-VGMNWLOBSA-N -1 3 251.286 2.176 20 5 CEBDHM C[C@@H]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596478192 346033645 /nfs/dbraw/zinc/03/36/45/346033645.db2.gz PSMTWCZIGWCZFZ-BDAKNGLRSA-N -1 3 267.285 2.065 20 5 CEBDHM O=C([O-])[C@@H](CNCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596658795 346073973 /nfs/dbraw/zinc/07/39/73/346073973.db2.gz VKRRXUWPTCVQAM-LBPRGKRZSA-N -1 3 278.308 2.185 20 5 CEBDHM CC1(C)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000610787942 347714985 /nfs/dbraw/zinc/71/49/85/347714985.db2.gz RJNRHXSITFIJCG-MRVWCRGKSA-N -1 3 292.335 2.204 20 5 CEBDHM O=C([N-]c1cccc2cnncc21)c1ccc([N+](=O)[O-])o1 ZINC000617146574 348640887 /nfs/dbraw/zinc/64/08/87/348640887.db2.gz CQCYPOWEUZLPII-UHFFFAOYSA-N -1 3 284.231 2.383 20 5 CEBDHM C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000340677188 215680126 /nfs/dbraw/zinc/68/01/26/215680126.db2.gz LGUKVDWZCDLKGQ-VIFPVBQESA-N -1 3 290.275 2.418 20 5 CEBDHM CCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1 ZINC000083927364 363791331 /nfs/dbraw/zinc/79/13/31/363791331.db2.gz CBMNVSBPSFKUHR-UHFFFAOYSA-N -1 3 258.299 2.055 20 5 CEBDHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013939370 361445315 /nfs/dbraw/zinc/44/53/15/361445315.db2.gz WMTXCWOPMOLTJH-WDEREUQCSA-N -1 3 298.364 2.452 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)[O-])CC1 ZINC000086727872 363838893 /nfs/dbraw/zinc/83/88/93/363838893.db2.gz VSCYIYIYRQBIJW-SNVBAGLBSA-N -1 3 278.308 2.452 20 5 CEBDHM Cc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1[N+](=O)[O-] ZINC000183291634 368619905 /nfs/dbraw/zinc/61/99/05/368619905.db2.gz FRPJTTMVVXGWST-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1[N+](=O)[O-] ZINC000183291634 368619908 /nfs/dbraw/zinc/61/99/08/368619908.db2.gz FRPJTTMVVXGWST-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1[N+](=O)[O-] ZINC000183291634 368619912 /nfs/dbraw/zinc/61/99/12/368619912.db2.gz FRPJTTMVVXGWST-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000186947278 369072765 /nfs/dbraw/zinc/07/27/65/369072765.db2.gz SHADAHOAUPDTNZ-SECBINFHSA-N -1 3 299.286 2.459 20 5 CEBDHM Cc1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1C ZINC000186819572 369052678 /nfs/dbraw/zinc/05/26/78/369052678.db2.gz QHASSSIBQPQTMS-UHFFFAOYSA-N -1 3 294.292 2.021 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000331860705 204241418 /nfs/dbraw/zinc/24/14/18/204241418.db2.gz YMBKWNFJIVIRHI-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM CC(C)[C@H]1CN(C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330894484 377202454 /nfs/dbraw/zinc/20/24/54/377202454.db2.gz FJLVXVOFQCUNOX-OAHLLOKOSA-N -1 3 293.367 2.072 20 5 CEBDHM O=C(/C=C\c1cncc([O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000492396793 380540802 /nfs/dbraw/zinc/54/08/02/380540802.db2.gz IYIZJANZYUOSJE-PLNGDYQASA-N -1 3 285.259 2.347 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2[O-])n1 ZINC000436817857 395155887 /nfs/dbraw/zinc/15/58/87/395155887.db2.gz IVQZBRWYXMRIGQ-UHFFFAOYSA-N -1 3 290.279 2.078 20 5 CEBDHM CC/C=C\C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451779799 395624977 /nfs/dbraw/zinc/62/49/77/395624977.db2.gz VHRVKRVPRKFJKX-WAYWQWQTSA-N -1 3 298.364 2.456 20 5 CEBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]OC/C=C\Cl ZINC000493777662 395674175 /nfs/dbraw/zinc/67/41/75/395674175.db2.gz LVKWVQWBISVHRU-ORJZIBIWSA-N -1 3 282.683 2.408 20 5 CEBDHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])c(F)c1 ZINC000359893642 155160788 /nfs/dbraw/zinc/16/07/88/155160788.db2.gz BRSLLIYMKVDAEQ-UHFFFAOYSA-N -1 3 263.228 2.447 20 5 CEBDHM Cc1cnc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000359901186 155164268 /nfs/dbraw/zinc/16/42/68/155164268.db2.gz OPPXXZOFFVQCLF-UHFFFAOYSA-N -1 3 260.253 2.011 20 5 CEBDHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccccc1[N+](=O)[O-] ZINC000397479668 270353975 /nfs/dbraw/zinc/35/39/75/270353975.db2.gz CXMTYOLXWHTSTM-JQWIXIFHSA-N -1 3 278.308 2.280 20 5 CEBDHM CC[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000420709922 270553586 /nfs/dbraw/zinc/55/35/86/270553586.db2.gz UFPYSEQROMOMLN-SSDOTTSWSA-N -1 3 292.382 2.289 20 5 CEBDHM C[C@@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000339082848 289202958 /nfs/dbraw/zinc/20/29/58/289202958.db2.gz KPUYFJLCZNRCLV-LSDHHAIUSA-N -1 3 292.335 2.348 20 5 CEBDHM COc1ccc(C)nc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000471725330 290279812 /nfs/dbraw/zinc/27/98/12/290279812.db2.gz IIPFISVCBFOUFW-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000397325750 329349864 /nfs/dbraw/zinc/34/98/64/329349864.db2.gz AERZKRXQYPCDSF-ZYHUDNBSSA-N -1 3 278.308 2.280 20 5 CEBDHM C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736264335 574780546 /nfs/dbraw/zinc/78/05/46/574780546.db2.gz VTMCNYPALVXELX-LDYMZIIASA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736264335 574780547 /nfs/dbraw/zinc/78/05/47/574780547.db2.gz VTMCNYPALVXELX-LDYMZIIASA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739060781 574891935 /nfs/dbraw/zinc/89/19/35/574891935.db2.gz VRNCCFSVYLDPCK-QWRGUYRKSA-N -1 3 293.323 2.245 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CNC(=O)[O-])C1 ZINC000825638770 604042812 /nfs/dbraw/zinc/04/28/12/604042812.db2.gz OOUKMCBILNTDKJ-QWRGUYRKSA-N -1 3 293.323 2.245 20 5 CEBDHM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000235361819 625342282 /nfs/dbraw/zinc/34/22/82/625342282.db2.gz YZDBCPNJSBXURJ-GHMZBOCLSA-N -1 3 278.308 2.280 20 5 CEBDHM Cc1ccc([O-])c(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000819899910 634277199 /nfs/dbraw/zinc/27/71/99/634277199.db2.gz WKXMLMSRAFFISL-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM Cc1ccc(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1[N+](=O)[O-] ZINC000903935602 635361256 /nfs/dbraw/zinc/36/12/56/635361256.db2.gz LYQOQQXMLZOBFO-DOMZBBRYSA-N -1 3 290.319 2.342 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000844837293 640849995 /nfs/dbraw/zinc/84/99/95/640849995.db2.gz ZBGLTMQXRKLXDY-PRHODGIISA-N -1 3 282.271 2.171 20 5 CEBDHM O=C([O-])CN(Cc1cc(F)ccc1[N+](=O)[O-])C1CCC1 ZINC000848599245 642073459 /nfs/dbraw/zinc/07/34/59/642073459.db2.gz FMKVPGMDEODONO-UHFFFAOYSA-N -1 3 282.271 2.173 20 5 CEBDHM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]OCC(F)F ZINC000760152048 645115417 /nfs/dbraw/zinc/11/54/17/645115417.db2.gz ZQIQOSJZRCDWRL-VURMDHGXSA-N -1 3 286.234 2.311 20 5 CEBDHM CCn1cnnc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000803530502 812128778 /nfs/dbraw/zinc/12/87/78/812128778.db2.gz NGKKPMRPSXOKNN-UHFFFAOYSA-N -1 3 295.686 2.112 20 5 CEBDHM CCc1cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)no1 ZINC001135191528 813378705 /nfs/dbraw/zinc/37/87/05/813378705.db2.gz COXBNHSFDYZVLV-UHFFFAOYSA-N -1 3 276.252 2.101 20 5 CEBDHM Cc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000121301424 365548748 /nfs/dbraw/zinc/54/87/48/365548748.db2.gz LZXYOCQTUGNZJR-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000121301424 365548749 /nfs/dbraw/zinc/54/87/49/365548749.db2.gz LZXYOCQTUGNZJR-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1CC(=O)[O-] ZINC000042163186 362064464 /nfs/dbraw/zinc/06/44/64/362064464.db2.gz SYWSVIKBEUMPSQ-LLVKDONJSA-N -1 3 294.307 2.043 20 5 CEBDHM CCCc1[nH]nc(C(=O)[N-]c2ncc(C)s2)c1[N+](=O)[O-] ZINC000069221735 343783344 /nfs/dbraw/zinc/78/33/44/343783344.db2.gz ALFFQPCPHSJXSX-UHFFFAOYSA-N -1 3 295.324 2.288 20 5 CEBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000132721487 344364990 /nfs/dbraw/zinc/36/49/90/344364990.db2.gz GGSGSRYNBRVSET-UHFFFAOYSA-N -1 3 290.250 2.370 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](CC)C(=O)[O-] ZINC000593287938 345462870 /nfs/dbraw/zinc/46/28/70/345462870.db2.gz AFCQOJXQAUPBGE-LBPRGKRZSA-N -1 3 296.323 2.289 20 5 CEBDHM CC[C@H](C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594816801 345689180 /nfs/dbraw/zinc/68/91/80/345689180.db2.gz FVRXEVFFOREQOC-JTQLQIEISA-N -1 3 286.353 2.309 20 5 CEBDHM C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596181026 345961790 /nfs/dbraw/zinc/96/17/90/345961790.db2.gz VWTOUNMRTIIFJU-AYMMMOKOSA-N -1 3 267.285 2.063 20 5 CEBDHM O=c1[n-]ccc(NCC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596187630 345964821 /nfs/dbraw/zinc/96/48/21/345964821.db2.gz VCCRWRSPFBLQEQ-VIFPVBQESA-N -1 3 267.285 2.067 20 5 CEBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000596198389 345967168 /nfs/dbraw/zinc/96/71/68/345967168.db2.gz ZYZSICVZJLWNAA-JSGCOSHPSA-N -1 3 293.323 2.313 20 5 CEBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596210798 345970523 /nfs/dbraw/zinc/97/05/23/345970523.db2.gz QGTWIESSGNBEAL-MRVPVSSYSA-N -1 3 269.326 2.027 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000596233789 345975605 /nfs/dbraw/zinc/97/56/05/345975605.db2.gz FNIIUCCGYCCGTO-SNVBAGLBSA-N -1 3 263.297 2.322 20 5 CEBDHM CC1(C)C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596263589 345984873 /nfs/dbraw/zinc/98/48/73/345984873.db2.gz ICMAZFBTIJPYIF-VIFPVBQESA-N -1 3 281.312 2.313 20 5 CEBDHM O=c1[n-]ccc(NCC(F)(F)C(F)F)c1[N+](=O)[O-] ZINC000599112521 346461680 /nfs/dbraw/zinc/46/16/80/346461680.db2.gz MRYDAFGIZRDZGG-UHFFFAOYSA-N -1 3 269.154 2.008 20 5 CEBDHM C/C=C\C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000599475292 346525759 /nfs/dbraw/zinc/52/57/59/346525759.db2.gz LJBLBGNFTPZLKQ-PLNGDYQASA-N -1 3 284.337 2.066 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000600800247 346692399 /nfs/dbraw/zinc/69/23/99/346692399.db2.gz JYZMQCJMGPSUDR-FZMZJTMJSA-N -1 3 292.335 2.446 20 5 CEBDHM COc1cc(C(=O)[N-]c2cnoc2)cc([N+](=O)[O-])c1C ZINC000616292960 348476644 /nfs/dbraw/zinc/47/66/44/348476644.db2.gz GDERVANTIXEULG-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM CC(C)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000123150419 187074318 /nfs/dbraw/zinc/07/43/18/187074318.db2.gz ALBLKPNSXYCPKD-UHFFFAOYSA-N -1 3 286.715 2.495 20 5 CEBDHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1[N+](=O)[O-] ZINC000292482787 198304919 /nfs/dbraw/zinc/30/49/19/198304919.db2.gz BYHFHHSXWRQVBM-UHFFFAOYSA-N -1 3 265.269 2.366 20 5 CEBDHM CCn1c(=O)[n-]nc1SCc1csc([N+](=O)[O-])c1 ZINC000339974014 366733812 /nfs/dbraw/zinc/73/38/12/366733812.db2.gz SLKMFFDZIOLSDS-UHFFFAOYSA-N -1 3 286.338 2.266 20 5 CEBDHM CSc1nc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000340266112 366822744 /nfs/dbraw/zinc/82/27/44/366822744.db2.gz JAOMAWZTRAPQAL-UHFFFAOYSA-N -1 3 299.337 2.057 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCCC2)c1C ZINC000119271935 365245012 /nfs/dbraw/zinc/24/50/12/365245012.db2.gz CTIQAUFVMSCYKY-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(F)cc2F)n1 ZINC000191451811 369715443 /nfs/dbraw/zinc/71/54/43/369715443.db2.gz RDMKYSCVINYWNU-UHFFFAOYSA-N -1 3 296.233 2.342 20 5 CEBDHM C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000235670091 370572047 /nfs/dbraw/zinc/57/20/47/370572047.db2.gz PJBSTHPKBGDIDV-GWCFXTLKSA-N -1 3 278.308 2.280 20 5 CEBDHM C[C@H](C(=O)[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000262458160 371864536 /nfs/dbraw/zinc/86/45/36/371864536.db2.gz JAZYFMDOUKIXKO-SECBINFHSA-N -1 3 264.281 2.032 20 5 CEBDHM O=[N+]([O-])c1ccc([N-]c2cc3n(n2)CCCC3)nc1 ZINC000286341692 375919838 /nfs/dbraw/zinc/91/98/38/375919838.db2.gz JTTQVJSZGPMNNC-UHFFFAOYSA-N -1 3 259.269 2.266 20 5 CEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C(=O)[O-] ZINC000262645046 190059488 /nfs/dbraw/zinc/05/94/88/190059488.db2.gz JURNSDONSKKYST-SNVBAGLBSA-N -1 3 296.323 2.287 20 5 CEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC([O-])=NOCC(C)(C)O ZINC000278670069 194095252 /nfs/dbraw/zinc/09/52/52/194095252.db2.gz XSLMUAYFJYMMPU-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)(C)O ZINC000278670069 194095254 /nfs/dbraw/zinc/09/52/54/194095254.db2.gz XSLMUAYFJYMMPU-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM COc1ccc([N-]C(=O)c2nc(C)oc2C)c([N+](=O)[O-])c1 ZINC000347591105 218283288 /nfs/dbraw/zinc/28/32/88/218283288.db2.gz CESHTDQRCNDXLV-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM O=C([O-])C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000048756064 394527433 /nfs/dbraw/zinc/52/74/33/394527433.db2.gz GOWYVRUOWLZDSB-NSHDSACASA-N -1 3 264.281 2.034 20 5 CEBDHM CCn1cnnc1[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000356168127 394552122 /nfs/dbraw/zinc/55/21/22/394552122.db2.gz QIXXNPCKARCBDK-UHFFFAOYSA-N -1 3 295.686 2.112 20 5 CEBDHM O=C(c1ccccc1[O-])N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000129744841 394872663 /nfs/dbraw/zinc/87/26/63/394872663.db2.gz MAHYEPJNWMOEEM-UHFFFAOYSA-N -1 3 298.298 2.499 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)C)c1[N+](=O)[O-] ZINC000189788068 153110165 /nfs/dbraw/zinc/11/01/65/153110165.db2.gz INQVNNUAYDRGNX-UHFFFAOYSA-N -1 3 286.353 2.146 20 5 CEBDHM CSc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000078713801 177375257 /nfs/dbraw/zinc/37/52/57/177375257.db2.gz LVKLFOTYAKDROK-UHFFFAOYSA-N -1 3 296.333 2.421 20 5 CEBDHM CCc1[nH]nc(C(=O)Nc2c(C)cccc2[O-])c1[N+](=O)[O-] ZINC000444347892 281599076 /nfs/dbraw/zinc/59/90/76/281599076.db2.gz ZFQPHPMKQJYZLX-UHFFFAOYSA-N -1 3 290.279 2.147 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000536552493 298198326 /nfs/dbraw/zinc/19/83/26/298198326.db2.gz COBXSZLWKHGSTG-UHFFFAOYSA-N -1 3 298.364 2.370 20 5 CEBDHM CSc1ccccc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC000160892436 312642597 /nfs/dbraw/zinc/64/25/97/312642597.db2.gz AELQVULEFNKTOC-UHFFFAOYSA-N -1 3 292.320 2.303 20 5 CEBDHM CCCc1coc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])n1 ZINC000563364885 313733332 /nfs/dbraw/zinc/73/33/32/313733332.db2.gz XOJJJVNSZXENHN-UHFFFAOYSA-N -1 3 293.283 2.004 20 5 CEBDHM Cn1cnc([N+](=O)[O-])c1[N-]c1ccn(-c2ccccc2)n1 ZINC000727757333 574455477 /nfs/dbraw/zinc/45/54/77/574455477.db2.gz ABSUXCNWAGTNGM-UHFFFAOYSA-N -1 3 284.279 2.258 20 5 CEBDHM CC1(C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736210227 574778256 /nfs/dbraw/zinc/77/82/56/574778256.db2.gz HFFPWYSTOVFTHN-MRVPVSSYSA-N -1 3 288.311 2.233 20 5 CEBDHM CC1(C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736210227 574778257 /nfs/dbraw/zinc/77/82/57/574778257.db2.gz HFFPWYSTOVFTHN-MRVPVSSYSA-N -1 3 288.311 2.233 20 5 CEBDHM C[C@@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736225379 574778661 /nfs/dbraw/zinc/77/86/61/574778661.db2.gz CCTYUHKTQHZGJJ-RKDXNWHRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736225379 574778662 /nfs/dbraw/zinc/77/86/62/574778662.db2.gz CCTYUHKTQHZGJJ-RKDXNWHRSA-N -1 3 288.311 2.010 20 5 CEBDHM Cc1nc(Oc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822453191 607161503 /nfs/dbraw/zinc/16/15/03/607161503.db2.gz DXQQTKGBDPMUSL-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1nc(Oc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822453191 607161505 /nfs/dbraw/zinc/16/15/05/607161505.db2.gz DXQQTKGBDPMUSL-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM COc1cc(CNC/C=C\Cl)c([N+](=O)[O-])cc1[O-] ZINC000898436718 632497139 /nfs/dbraw/zinc/49/71/39/632497139.db2.gz WCYQOFCYJYEQIQ-IHWYPQMZSA-N -1 3 272.688 2.151 20 5 CEBDHM C/C(=C\CN(C)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000851707617 643117632 /nfs/dbraw/zinc/11/76/32/643117632.db2.gz HEDBGZVHGARALC-YRNVUSSQSA-N -1 3 278.308 2.100 20 5 CEBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])[N-]OCC1CCC1 ZINC000856342658 644640732 /nfs/dbraw/zinc/64/07/32/644640732.db2.gz WKNQEKQGJBDTSD-UHFFFAOYSA-N -1 3 282.271 2.124 20 5 CEBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1ccncc1F ZINC001266899523 802976921 /nfs/dbraw/zinc/97/69/21/802976921.db2.gz GJCOEBRVTITYKD-UHFFFAOYSA-N -1 3 293.229 2.251 20 5 CEBDHM CCOc1cnc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001169731354 811648924 /nfs/dbraw/zinc/64/89/24/811648924.db2.gz CBLBYCWGLPZZBB-UHFFFAOYSA-N -1 3 290.279 2.101 20 5 CEBDHM CCC(C)(C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601283917 346812294 /nfs/dbraw/zinc/81/22/94/346812294.db2.gz DHUDIANNDXRRMI-UHFFFAOYSA-N -1 3 292.382 2.432 20 5 CEBDHM CC(C)N(CCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000037596038 361908408 /nfs/dbraw/zinc/90/84/08/361908408.db2.gz WZLVZMWEDAJMPV-UHFFFAOYSA-N -1 3 266.297 2.280 20 5 CEBDHM COC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000072884624 343814347 /nfs/dbraw/zinc/81/43/47/343814347.db2.gz GQQZFDYBTIRYLJ-UHFFFAOYSA-N -1 3 296.260 2.288 20 5 CEBDHM CCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048664534 362295442 /nfs/dbraw/zinc/29/54/42/362295442.db2.gz RTXZOEITHGMZLC-UHFFFAOYSA-N -1 3 290.316 2.201 20 5 CEBDHM O=[N+]([O-])c1ncccc1NCc1ccc([O-])c(F)c1 ZINC000083457915 344077085 /nfs/dbraw/zinc/07/70/85/344077085.db2.gz PVUGEGVOSVHUQY-UHFFFAOYSA-N -1 3 263.228 2.447 20 5 CEBDHM Cc1ccc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000593332841 345468060 /nfs/dbraw/zinc/46/80/60/345468060.db2.gz JRUBDFXAANJFIA-ZYHUDNBSSA-N -1 3 278.308 2.341 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C)CC1(C)C ZINC000595360486 345768532 /nfs/dbraw/zinc/76/85/32/345768532.db2.gz CBYYIYKIVQZHEG-CYBMUJFWSA-N -1 3 298.364 2.370 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000596061019 345930178 /nfs/dbraw/zinc/93/01/78/345930178.db2.gz MNFIRMOTTJTAHG-NSHDSACASA-N -1 3 286.291 2.432 20 5 CEBDHM CC(C)n1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596108576 345941296 /nfs/dbraw/zinc/94/12/96/345941296.db2.gz NIOJTKKNFNOWMR-UHFFFAOYSA-N -1 3 263.257 2.216 20 5 CEBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC000596145227 345951240 /nfs/dbraw/zinc/95/12/40/345951240.db2.gz MPPAMAGZMWQFRF-SECBINFHSA-N -1 3 269.301 2.168 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596211459 345970529 /nfs/dbraw/zinc/97/05/29/345970529.db2.gz SHCXCBLPTNEBDU-ZETCQYMHSA-N -1 3 291.229 2.474 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000596220029 345972956 /nfs/dbraw/zinc/97/29/56/345972956.db2.gz JYWFCDWFRGSKBI-SSDOTTSWSA-N -1 3 259.212 2.295 20 5 CEBDHM O=c1[n-]ccc(NCC2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000596238068 345977489 /nfs/dbraw/zinc/97/74/89/345977489.db2.gz MXVSOOWDTCYGLW-UHFFFAOYSA-N -1 3 259.212 2.153 20 5 CEBDHM Cc1ccoc1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596240411 345977711 /nfs/dbraw/zinc/97/77/11/345977711.db2.gz ABTSQMZBSWBNKD-UHFFFAOYSA-N -1 3 263.253 2.233 20 5 CEBDHM CC[C@@H](C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596251186 345981227 /nfs/dbraw/zinc/98/12/27/345981227.db2.gz ZZJTUUWHOXHVOE-SCZZXKLOSA-N -1 3 269.301 2.168 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000596261282 345984255 /nfs/dbraw/zinc/98/42/55/345984255.db2.gz DLYCRQMLBRROGM-CYBMUJFWSA-N -1 3 295.364 2.419 20 5 CEBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccnc1 ZINC000596272629 345988165 /nfs/dbraw/zinc/98/81/65/345988165.db2.gz AVMOHSFXIDQFRW-UHFFFAOYSA-N -1 3 288.307 2.480 20 5 CEBDHM O=C([O-])C1(NCc2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000610896886 347721379 /nfs/dbraw/zinc/72/13/79/347721379.db2.gz HYXJZNGDEFAQIN-UHFFFAOYSA-N -1 3 282.271 2.221 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)[O-])C1 ZINC000086790467 179335382 /nfs/dbraw/zinc/33/53/82/179335382.db2.gz AIXKBHWQUWJGTA-KOLCDFICSA-N -1 3 264.281 2.062 20 5 CEBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC000618642851 349006966 /nfs/dbraw/zinc/00/69/66/349006966.db2.gz IOBQYNXEUVCOPB-UHFFFAOYSA-N -1 3 267.241 2.443 20 5 CEBDHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000155400460 188203660 /nfs/dbraw/zinc/20/36/60/188203660.db2.gz BQMQXOKSXFHPCV-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000155400460 188203661 /nfs/dbraw/zinc/20/36/61/188203661.db2.gz BQMQXOKSXFHPCV-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000157547850 188323641 /nfs/dbraw/zinc/32/36/41/188323641.db2.gz MBHSGAROVYBANL-SNVBAGLBSA-N -1 3 286.353 2.308 20 5 CEBDHM COc1cc(CN[C@@H]2CCC[C@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000339583236 366708837 /nfs/dbraw/zinc/70/88/37/366708837.db2.gz HMEBOMFIRAJTSM-NXEZZACHSA-N -1 3 284.287 2.289 20 5 CEBDHM O=C([N-]c1ccc(O)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000085203773 363833290 /nfs/dbraw/zinc/83/32/90/363833290.db2.gz AMZCGGAZTDOSPU-UHFFFAOYSA-N -1 3 266.184 2.285 20 5 CEBDHM O=C([O-])CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000093680432 364214297 /nfs/dbraw/zinc/21/42/97/364214297.db2.gz RRQGEXPJMOIHEK-UHFFFAOYSA-N -1 3 292.335 2.324 20 5 CEBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1[O-] ZINC000356593101 370767286 /nfs/dbraw/zinc/76/72/86/370767286.db2.gz KWMANAZGODDGHM-UHFFFAOYSA-N -1 3 288.259 2.318 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]O[C@@H]1CCCCO1 ZINC000162296082 367149665 /nfs/dbraw/zinc/14/96/65/367149665.db2.gz RLHAGJQVWUBQAA-HSBSLETESA-N -1 3 292.291 2.182 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]O[C@H]1CCCCO1 ZINC000162296668 367150134 /nfs/dbraw/zinc/15/01/34/367150134.db2.gz AIEDOJPTZNKGSL-VFNNOXKTSA-N -1 3 292.291 2.182 20 5 CEBDHM CC(C)(C)c1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000343454300 367825432 /nfs/dbraw/zinc/82/54/32/367825432.db2.gz VLSZRQQBFVHOIV-UHFFFAOYSA-N -1 3 295.324 2.324 20 5 CEBDHM Cc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186742732 369032345 /nfs/dbraw/zinc/03/23/45/369032345.db2.gz XQTJOEXUSOAQQM-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM O=C(Nc1ccc(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187541474 369176125 /nfs/dbraw/zinc/17/61/25/369176125.db2.gz HSFDGIXYVVOJGJ-UHFFFAOYSA-N -1 3 295.201 2.226 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398619 370340790 /nfs/dbraw/zinc/34/07/90/370340790.db2.gz AMXAEIWHDQEUKW-GHMZBOCLSA-N -1 3 278.308 2.452 20 5 CEBDHM COCCn1cc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cn1 ZINC000359085871 371331746 /nfs/dbraw/zinc/33/17/46/371331746.db2.gz UIONXTKAIAMKJI-UHFFFAOYSA-N -1 3 291.311 2.193 20 5 CEBDHM O=C(Nc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344449811 217194353 /nfs/dbraw/zinc/19/43/53/217194353.db2.gz OKGMPSJXEOOIFN-UHFFFAOYSA-N -1 3 271.236 2.052 20 5 CEBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC1 ZINC000416506548 376080493 /nfs/dbraw/zinc/08/04/93/376080493.db2.gz IZUHXCQSLMSZNI-UHFFFAOYSA-N -1 3 290.728 2.079 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCC(=O)[O-] ZINC000086774928 296240305 /nfs/dbraw/zinc/24/03/05/296240305.db2.gz RTVPIXMFPBHIHN-VIFPVBQESA-N -1 3 252.270 2.062 20 5 CEBDHM CC(C)O[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000295778447 378299564 /nfs/dbraw/zinc/29/95/64/378299564.db2.gz XSRCTHRMMWEKSL-UHFFFAOYSA-N -1 3 281.312 2.243 20 5 CEBDHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1OC ZINC000520594179 379490180 /nfs/dbraw/zinc/49/01/80/379490180.db2.gz GGBRIEJUIXCBKQ-JTQLQIEISA-N -1 3 296.323 2.289 20 5 CEBDHM Cc1c(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000521042799 379513292 /nfs/dbraw/zinc/51/32/92/379513292.db2.gz QYPRWNIVMJPETF-GXFFZTMASA-N -1 3 292.335 2.446 20 5 CEBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000492943499 380737545 /nfs/dbraw/zinc/73/75/45/380737545.db2.gz XFMYQNURFQIOKD-GQCTYLIASA-N -1 3 280.255 2.205 20 5 CEBDHM Cc1cc([N-]S(=O)(=O)CCCCF)ccc1[N+](=O)[O-] ZINC000288473744 197088436 /nfs/dbraw/zinc/08/84/36/197088436.db2.gz BJURYOUELIYQIP-UHFFFAOYSA-N -1 3 290.316 2.395 20 5 CEBDHM CCn1cnnc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000356185816 394556944 /nfs/dbraw/zinc/55/69/44/394556944.db2.gz PCWHBTDCQZUXTO-UHFFFAOYSA-N -1 3 295.686 2.112 20 5 CEBDHM CCc1nnsc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000339188240 394949074 /nfs/dbraw/zinc/94/90/74/394949074.db2.gz GPKGCFZTHCHLJE-UHFFFAOYSA-N -1 3 296.283 2.400 20 5 CEBDHM O=C([O-])C1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000573615872 395611985 /nfs/dbraw/zinc/61/19/85/395611985.db2.gz DGEYNKWECKGFDE-UHFFFAOYSA-N -1 3 290.319 2.424 20 5 CEBDHM O=[N+]([O-])c1cc2ccccc2nc1NCc1ncccc1[O-] ZINC000359900827 155165871 /nfs/dbraw/zinc/16/58/71/155165871.db2.gz OBSRPPYZVZORQT-UHFFFAOYSA-N -1 3 296.286 2.278 20 5 CEBDHM CC(C)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000005643391 170123500 /nfs/dbraw/zinc/12/35/00/170123500.db2.gz AGAYMRXPZDKRRT-UHFFFAOYSA-N -1 3 286.353 2.309 20 5 CEBDHM Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc12 ZINC000354999158 227299588 /nfs/dbraw/zinc/29/95/88/227299588.db2.gz HXZMWFJTAWGPKJ-UHFFFAOYSA-N -1 3 285.263 2.360 20 5 CEBDHM O=C(/C=C\c1cncc([O-])c1)NCc1ccccc1[N+](=O)[O-] ZINC000255423645 280495758 /nfs/dbraw/zinc/49/57/58/280495758.db2.gz JJYFRRYXXHNPEY-WAYWQWQTSA-N -1 3 299.286 2.025 20 5 CEBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c([O-])c1 ZINC000531893539 313333555 /nfs/dbraw/zinc/33/35/55/313333555.db2.gz PDSVAQCAWJAHNH-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM COc1cc(CNCC(C)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000549863189 313586346 /nfs/dbraw/zinc/58/63/46/313586346.db2.gz VHYYCCRCPSCXTQ-UHFFFAOYSA-N -1 3 276.239 2.054 20 5 CEBDHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000397492192 329357147 /nfs/dbraw/zinc/35/71/47/329357147.db2.gz MQVLUBIEGNQLGY-JQWIXIFHSA-N -1 3 278.308 2.280 20 5 CEBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cscn1 ZINC000059895297 527132221 /nfs/dbraw/zinc/13/22/21/527132221.db2.gz YGCOEYFJHGSNJV-UHFFFAOYSA-N -1 3 267.241 2.443 20 5 CEBDHM Cc1cc(C(=O)[N-]c2nc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC000734874314 574733022 /nfs/dbraw/zinc/73/30/22/574733022.db2.gz BZWYXFLDEMUGKJ-UHFFFAOYSA-N -1 3 288.263 2.416 20 5 CEBDHM O=[N+]([O-])c1ccc(NCCCC2CC2)c(-c2nnn[n-]2)c1 ZINC000738370910 574859558 /nfs/dbraw/zinc/85/95/58/574859558.db2.gz SGJMOGDKYRQAAY-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM O=[N+]([O-])c1ccc(NCCCC2CC2)c(-c2nn[n-]n2)c1 ZINC000738370910 574859560 /nfs/dbraw/zinc/85/95/60/574859560.db2.gz SGJMOGDKYRQAAY-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM O=C([N-]c1cccc2nonc21)c1ccccc1[N+](=O)[O-] ZINC000752956181 575317132 /nfs/dbraw/zinc/31/71/32/575317132.db2.gz XLRXNPGZUHBDPV-UHFFFAOYSA-N -1 3 284.231 2.383 20 5 CEBDHM CC(C)(CC(=O)[O-])NCc1c(F)cccc1[N+](=O)[O-] ZINC000826537955 602258636 /nfs/dbraw/zinc/25/86/36/602258636.db2.gz CVEYFWQRLLUEDO-UHFFFAOYSA-N -1 3 270.260 2.077 20 5 CEBDHM CC[C@@H](NCCN(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000826619378 604954712 /nfs/dbraw/zinc/95/47/12/604954712.db2.gz JPYNRBDSTMRUOW-GFCCVEGCSA-N -1 3 281.312 2.245 20 5 CEBDHM C/C(=C\CN[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000833385758 605203393 /nfs/dbraw/zinc/20/33/93/605203393.db2.gz UDJXSVGSJBBBIC-TTZKWOQHSA-N -1 3 264.281 2.276 20 5 CEBDHM O=c1cc([C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894377905 629409030 /nfs/dbraw/zinc/40/90/30/629409030.db2.gz SOSPHJRSHUCBDV-SECBINFHSA-N -1 3 274.280 2.017 20 5 CEBDHM Cc1cnc([N-]c2cnn3c2NC[C@@H](C)C3)c([N+](=O)[O-])c1 ZINC000894950726 629768890 /nfs/dbraw/zinc/76/88/90/629768890.db2.gz AWEOIUKSHAANHC-SECBINFHSA-N -1 3 288.311 2.300 20 5 CEBDHM COc1cc(CNC/C=C/Cl)c([N+](=O)[O-])cc1[O-] ZINC000898436720 632497165 /nfs/dbraw/zinc/49/71/65/632497165.db2.gz WCYQOFCYJYEQIQ-NSCUHMNNSA-N -1 3 272.688 2.151 20 5 CEBDHM CC(C)(CCC(=O)[N-]Oc1ccc(F)cc1)[N+](=O)[O-] ZINC000898574665 632544236 /nfs/dbraw/zinc/54/42/36/632544236.db2.gz GCXUIHHHMOCRBT-UHFFFAOYSA-N -1 3 270.260 2.071 20 5 CEBDHM O=C([N-]c1nncs1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000191572 636989199 /nfs/dbraw/zinc/98/91/99/636989199.db2.gz BARUXLXBVLPNHO-UHFFFAOYSA-N -1 3 284.684 2.352 20 5 CEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCc1ccccc1 ZINC000172974104 639833355 /nfs/dbraw/zinc/83/33/55/639833355.db2.gz NCIWADCFMILSLV-UHFFFAOYSA-N -1 3 286.287 2.385 20 5 CEBDHM COc1ccc(CC(=O)[N-]OC2CCCC2)cc1[N+](=O)[O-] ZINC000774868017 646904384 /nfs/dbraw/zinc/90/43/84/646904384.db2.gz SVLHMFVSWXSSGN-UHFFFAOYSA-N -1 3 294.307 2.136 20 5 CEBDHM O=[N+]([O-])c1ccc(Cl)cc1CSCCc1nnn[n-]1 ZINC000882189690 651994919 /nfs/dbraw/zinc/99/49/19/651994919.db2.gz ZZXBHFWMDMUEQK-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM O=[N+]([O-])c1ccc(Cl)cc1CSCCc1nn[n-]n1 ZINC000882189690 651994921 /nfs/dbraw/zinc/99/49/21/651994921.db2.gz ZZXBHFWMDMUEQK-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM CS[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000695457499 803686459 /nfs/dbraw/zinc/68/64/59/803686459.db2.gz GEVPKMSBFKJQSH-JGVFFNPUSA-N -1 3 269.326 2.391 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CC[C@@H](C3CC3)O2)c1[N+](=O)[O-] ZINC000722321531 804284106 /nfs/dbraw/zinc/28/41/06/804284106.db2.gz MWABGTIVENMQRO-ONGXEEELSA-N -1 3 279.296 2.065 20 5 CEBDHM O=c1[n-]ccc(NCC[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000704912460 809763549 /nfs/dbraw/zinc/76/35/49/809763549.db2.gz PHKCGNFAFNSBMT-MRVPVSSYSA-N -1 3 269.326 2.251 20 5 CEBDHM COc1nc([N-]COc2ccccc2)nc(C)c1[N+](=O)[O-] ZINC001170807086 813400127 /nfs/dbraw/zinc/40/01/27/813400127.db2.gz VFQWKYXBHYGZKN-UHFFFAOYSA-N -1 3 290.279 2.150 20 5 CEBDHM COc1ccc([N-]c2nnc(C)o2)cc1[N+](=O)[O-] ZINC001176360360 816401113 /nfs/dbraw/zinc/40/11/13/816401113.db2.gz WDBSKBMJMKZPCM-UHFFFAOYSA-N -1 3 250.214 2.038 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCCC2 ZINC000601502830 346842933 /nfs/dbraw/zinc/84/29/33/346842933.db2.gz YNSZBTIUHBWHMM-GWCFXTLKSA-N -1 3 296.348 2.206 20 5 CEBDHM O=[N+]([O-])c1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000115654688 344284056 /nfs/dbraw/zinc/28/40/56/344284056.db2.gz MIPOTKYOIRVZBI-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM O=[N+]([O-])c1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000115654688 344284060 /nfs/dbraw/zinc/28/40/60/344284060.db2.gz MIPOTKYOIRVZBI-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM COC1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596153521 345953889 /nfs/dbraw/zinc/95/38/89/345953889.db2.gz UFIXMKHVZVSXLD-UHFFFAOYSA-N -1 3 281.312 2.313 20 5 CEBDHM C[C@@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596197045 345967180 /nfs/dbraw/zinc/96/71/80/345967180.db2.gz QDLSQZPUODNJBI-SECBINFHSA-N -1 3 251.286 2.322 20 5 CEBDHM O=c1[n-]ccc(NCCCO[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596218173 345972712 /nfs/dbraw/zinc/97/27/12/345972712.db2.gz WMCCTYMXPVPCIW-LLVKDONJSA-N -1 3 297.311 2.041 20 5 CEBDHM C[C@@H]1SCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596291862 345992811 /nfs/dbraw/zinc/99/28/11/345992811.db2.gz KWNNDCWWNGDNJS-BQBZGAKWSA-N -1 3 255.299 2.001 20 5 CEBDHM Cc1nc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000351737974 219192238 /nfs/dbraw/zinc/19/22/38/219192238.db2.gz SLKYHHQGECMIBF-UHFFFAOYSA-N -1 3 294.292 2.021 20 5 CEBDHM CCc1ccc(C(=O)[N-]c2nncs2)cc1[N+](=O)[O-] ZINC000081825320 363743378 /nfs/dbraw/zinc/74/33/78/363743378.db2.gz FVGKVSNLBIWHDO-UHFFFAOYSA-N -1 3 278.293 2.261 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)[O-])C1 ZINC000086729001 363839086 /nfs/dbraw/zinc/83/90/86/363839086.db2.gz CPQJMOOYAGNRMN-JQWIXIFHSA-N -1 3 278.308 2.452 20 5 CEBDHM CCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000175659007 368161433 /nfs/dbraw/zinc/16/14/33/368161433.db2.gz UYVMQJXDYHNXMK-UHFFFAOYSA-N -1 3 284.337 2.063 20 5 CEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cnns1 ZINC000348486191 369060955 /nfs/dbraw/zinc/06/09/55/369060955.db2.gz UUSQCGZVPBQZOT-UHFFFAOYSA-N -1 3 294.292 2.097 20 5 CEBDHM CC[C@]1(CO)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330457985 377141954 /nfs/dbraw/zinc/14/19/54/377141954.db2.gz RBVLDJWALUOMAW-CQSZACIVSA-N -1 3 280.324 2.037 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC1CC1 ZINC000296713372 378626860 /nfs/dbraw/zinc/62/68/60/378626860.db2.gz LKJAGBDMQIYWNM-UHFFFAOYSA-N -1 3 295.295 2.457 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC1CC1 ZINC000296713372 378626867 /nfs/dbraw/zinc/62/68/67/378626867.db2.gz LKJAGBDMQIYWNM-UHFFFAOYSA-N -1 3 295.295 2.457 20 5 CEBDHM C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000300295792 379161814 /nfs/dbraw/zinc/16/18/14/379161814.db2.gz RGXSNJSRUCTUJD-GXFFZTMASA-N -1 3 278.308 2.280 20 5 CEBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccccc1[O-] ZINC000436596640 395132299 /nfs/dbraw/zinc/13/22/99/395132299.db2.gz RIRKQEFXYIBZQY-UHFFFAOYSA-N -1 3 286.287 2.273 20 5 CEBDHM CC(C)O[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000297273863 395338259 /nfs/dbraw/zinc/33/82/59/395338259.db2.gz SGVUPHIWENCDCF-UHFFFAOYSA-N -1 3 272.688 2.247 20 5 CEBDHM O=[N+]([O-])c1ccccc1/C=C\CNCc1ncccc1[O-] ZINC000355285550 395396893 /nfs/dbraw/zinc/39/68/93/395396893.db2.gz DQBPZCGMPOLEPR-UTCJRWHESA-N -1 3 285.303 2.498 20 5 CEBDHM Cc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000443927297 395406044 /nfs/dbraw/zinc/40/60/44/395406044.db2.gz MMYCZRPKVMBXSS-UHFFFAOYSA-N -1 3 253.239 2.205 20 5 CEBDHM C[C@H](NCCCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000037418162 173195337 /nfs/dbraw/zinc/19/53/37/173195337.db2.gz GGTHDDNUBFRGGL-VIFPVBQESA-N -1 3 252.270 2.110 20 5 CEBDHM Cc1c(COC(=O)c2cncc([O-])c2)cccc1[N+](=O)[O-] ZINC000732392650 574620069 /nfs/dbraw/zinc/62/00/69/574620069.db2.gz ZOLUNVRSJTXFPL-UHFFFAOYSA-N -1 3 288.259 2.361 20 5 CEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC=CCC1 ZINC000738360784 574859263 /nfs/dbraw/zinc/85/92/63/574859263.db2.gz YTGSQTSQURIUTK-SNVBAGLBSA-N -1 3 286.295 2.296 20 5 CEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC=CCC1 ZINC000738360784 574859267 /nfs/dbraw/zinc/85/92/67/574859267.db2.gz YTGSQTSQURIUTK-SNVBAGLBSA-N -1 3 286.295 2.296 20 5 CEBDHM Cc1cnc(Oc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822400005 599105645 /nfs/dbraw/zinc/10/56/45/599105645.db2.gz SOMWDLSWQFAJEC-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1cnc(Oc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822400005 599105646 /nfs/dbraw/zinc/10/56/46/599105646.db2.gz SOMWDLSWQFAJEC-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM CC1(C)CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820595973 599522732 /nfs/dbraw/zinc/52/27/32/599522732.db2.gz LRPZMDQQHMDIAV-UHFFFAOYSA-N -1 3 288.311 2.154 20 5 CEBDHM CC1(C)CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820595973 599522735 /nfs/dbraw/zinc/52/27/35/599522735.db2.gz LRPZMDQQHMDIAV-UHFFFAOYSA-N -1 3 288.311 2.154 20 5 CEBDHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000825480269 603621683 /nfs/dbraw/zinc/62/16/83/603621683.db2.gz VIEQXZHSMRGXCA-MNOVXSKESA-N -1 3 293.323 2.388 20 5 CEBDHM CCC[C@H](NCCNC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000826763282 604911832 /nfs/dbraw/zinc/91/18/32/604911832.db2.gz AOUNDVVUNHIFKQ-LBPRGKRZSA-N -1 3 281.312 2.293 20 5 CEBDHM CC1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC000824837646 607850027 /nfs/dbraw/zinc/85/00/27/607850027.db2.gz IOZXLHISFIYJMK-UHFFFAOYSA-N -1 3 274.284 2.129 20 5 CEBDHM CC1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC000824837646 607850028 /nfs/dbraw/zinc/85/00/28/607850028.db2.gz IOZXLHISFIYJMK-UHFFFAOYSA-N -1 3 274.284 2.129 20 5 CEBDHM CC(C)O[N-]C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000821213882 634657535 /nfs/dbraw/zinc/65/75/35/634657535.db2.gz NEAFGFFFMROHDZ-UHFFFAOYSA-N -1 3 270.260 2.123 20 5 CEBDHM Cc1ccc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c([N+](=O)[O-])c1 ZINC000894373881 629404178 /nfs/dbraw/zinc/40/41/78/629404178.db2.gz AVFBIMQKJBCGTJ-SNVBAGLBSA-N -1 3 288.307 2.326 20 5 CEBDHM CC1(C)CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000897253390 631019417 /nfs/dbraw/zinc/01/94/17/631019417.db2.gz BMZAHZHGNCVXIQ-VIFPVBQESA-N -1 3 281.312 2.455 20 5 CEBDHM O=C([N-]c1ccon1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000057989284 639476313 /nfs/dbraw/zinc/47/63/13/639476313.db2.gz YQQAGWBVTNUPEQ-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1[N+](=O)[O-] ZINC000872695643 649458333 /nfs/dbraw/zinc/45/83/33/649458333.db2.gz ILRQAMGTBQKVTA-QXEWZRGKSA-N -1 3 279.296 2.065 20 5 CEBDHM O=c1[n-]cncc1Nc1ccc(C=C[N+](=O)[O-])cc1 ZINC001175900908 816302884 /nfs/dbraw/zinc/30/28/84/816302884.db2.gz FMTGFZOXRNGOFO-AATRIKPKSA-N -1 3 258.237 2.173 20 5 CEBDHM Cc1ccnc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000045287643 343482574 /nfs/dbraw/zinc/48/25/74/343482574.db2.gz QMZXXUUZPQNOER-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592107400 345323188 /nfs/dbraw/zinc/32/31/88/345323188.db2.gz DBIGPMHUZRQFIP-GMTAPVOTSA-N -1 3 296.348 2.062 20 5 CEBDHM CC(C)CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734858 345529451 /nfs/dbraw/zinc/52/94/51/345529451.db2.gz GSCLNNKRLCUISR-UHFFFAOYSA-N -1 3 266.297 2.381 20 5 CEBDHM COCc1nc(Sc2cc(C)sc2[N+](=O)[O-])n[n-]1 ZINC000596161528 345956434 /nfs/dbraw/zinc/95/64/34/345956434.db2.gz VBCHDCXYVRKUSZ-UHFFFAOYSA-N -1 3 286.338 2.380 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596271876 345987650 /nfs/dbraw/zinc/98/76/50/345987650.db2.gz JYUJXDGXWWPWHW-SNVBAGLBSA-N -1 3 263.297 2.322 20 5 CEBDHM C[C@H]1[C@@H](C)N(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596274199 345988551 /nfs/dbraw/zinc/98/85/51/345988551.db2.gz BYMBMRWUGAWMKK-IWSPIJDZSA-N -1 3 251.286 2.176 20 5 CEBDHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000600800980 346692907 /nfs/dbraw/zinc/69/29/07/346692907.db2.gz OYJZIWWFFWCESF-YPMHNXCESA-N -1 3 292.335 2.446 20 5 CEBDHM CSC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000601206929 346788478 /nfs/dbraw/zinc/78/84/78/346788478.db2.gz NGDOBTVLHIXFQF-UHFFFAOYSA-N -1 3 269.326 2.027 20 5 CEBDHM CC(C)OCCO[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493459449 290825210 /nfs/dbraw/zinc/82/52/10/290825210.db2.gz HHMVZCJBJPWRAG-VMPITWQZSA-N -1 3 294.307 2.081 20 5 CEBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000451866216 283128906 /nfs/dbraw/zinc/12/89/06/283128906.db2.gz LHGUHASMSJNWKS-UHFFFAOYSA-N -1 3 298.364 2.452 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000570094052 299237903 /nfs/dbraw/zinc/23/79/03/299237903.db2.gz YTVSUZMYDIAAPY-HZMBPMFUSA-N -1 3 292.335 2.446 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000293775440 198767156 /nfs/dbraw/zinc/76/71/56/198767156.db2.gz RDZDGXJVQJGXSH-QMMMGPOBSA-N -1 3 284.316 2.149 20 5 CEBDHM Cc1cccc([O-])c1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294836889 199205114 /nfs/dbraw/zinc/20/51/14/199205114.db2.gz ATUQLBQZJVYLOX-UHFFFAOYSA-N -1 3 266.297 2.475 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC1CC1 ZINC000112707853 364832128 /nfs/dbraw/zinc/83/21/28/364832128.db2.gz SFVFMDDIFOZGGZ-SNVBAGLBSA-N -1 3 298.364 2.370 20 5 CEBDHM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C1CC1 ZINC000290467945 376792000 /nfs/dbraw/zinc/79/20/00/376792000.db2.gz GGWJMHGRKCGTCI-UHFFFAOYSA-N -1 3 270.310 2.061 20 5 CEBDHM C[C@@H]1CC[C@H](N(CCO)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330449561 377136518 /nfs/dbraw/zinc/13/65/18/377136518.db2.gz JDVOBLDYRHYAFV-YPMHNXCESA-N -1 3 294.351 2.283 20 5 CEBDHM CCC[C@@]1(CO)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330465428 377146793 /nfs/dbraw/zinc/14/67/93/377146793.db2.gz VWPGCEVEWVNYKT-HNNXBMFYSA-N -1 3 294.351 2.427 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000293729520 377727618 /nfs/dbraw/zinc/72/76/18/377727618.db2.gz NGGDNTORLXCPSE-MRVPVSSYSA-N -1 3 270.260 2.441 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000293744758 377737603 /nfs/dbraw/zinc/73/76/03/377737603.db2.gz ONRPIHYZUITWDD-JTQLQIEISA-N -1 3 266.297 2.231 20 5 CEBDHM C[C@@H]([N-]C(=O)C(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000288557617 197111490 /nfs/dbraw/zinc/11/14/90/197111490.db2.gz MBRILMYNWMMMLC-SSDOTTSWSA-N -1 3 258.224 2.427 20 5 CEBDHM CCN1CCC[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211430878 394448388 /nfs/dbraw/zinc/44/83/88/394448388.db2.gz LEQDDUBYGNUPHS-NSHDSACASA-N -1 3 293.323 2.189 20 5 CEBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000339086728 394941364 /nfs/dbraw/zinc/94/13/64/394941364.db2.gz RZVUUEZOBADYBV-WDEREUQCSA-N -1 3 280.324 2.205 20 5 CEBDHM C[C@H](CN(C)c1cc(Cl)ccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000286872601 395030868 /nfs/dbraw/zinc/03/08/68/395030868.db2.gz NPBPLYJUIATPBN-SSDOTTSWSA-N -1 3 296.718 2.001 20 5 CEBDHM C[C@H](CN(C)c1cc(Cl)ccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000286872601 395030869 /nfs/dbraw/zinc/03/08/69/395030869.db2.gz NPBPLYJUIATPBN-SSDOTTSWSA-N -1 3 296.718 2.001 20 5 CEBDHM COc1cccc(C(=O)[N-]c2ccncc2F)c1[N+](=O)[O-] ZINC000194802893 395448942 /nfs/dbraw/zinc/44/89/42/395448942.db2.gz HADWIJVUHUHWNJ-UHFFFAOYSA-N -1 3 291.238 2.390 20 5 CEBDHM COc1ccc([N-]C(=O)c2cc(C)no2)cc1[N+](=O)[O-] ZINC000359963576 155181767 /nfs/dbraw/zinc/18/17/67/155181767.db2.gz KGBJWLKGKVWWBE-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2CCC2)c1[N+](=O)[O-] ZINC000189841856 153110736 /nfs/dbraw/zinc/11/07/36/153110736.db2.gz WYEVUYWZTYEENS-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM COCc1nc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)co1 ZINC000548421463 298409594 /nfs/dbraw/zinc/40/95/94/298409594.db2.gz GHJPNZXNWGIEOX-UHFFFAOYSA-N -1 3 295.226 2.121 20 5 CEBDHM CCOC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000339183338 270337502 /nfs/dbraw/zinc/33/75/02/270337502.db2.gz DHVYIMAODNTVTO-ZDUSSCGKSA-N -1 3 282.340 2.451 20 5 CEBDHM O=C([N-]c1ccc(Cl)cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000136059214 280057833 /nfs/dbraw/zinc/05/78/33/280057833.db2.gz PPKUMEUGNACEAC-UHFFFAOYSA-N -1 3 284.634 2.363 20 5 CEBDHM O=C([O-])C1(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000566978956 299033509 /nfs/dbraw/zinc/03/35/09/299033509.db2.gz HMDDZPBFQLMRQP-UHFFFAOYSA-N -1 3 290.319 2.424 20 5 CEBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OCC(F)(F)F ZINC000379614287 321826505 /nfs/dbraw/zinc/82/65/05/321826505.db2.gz VKCTXMLKZAZPFX-UTCJRWHESA-N -1 3 290.197 2.218 20 5 CEBDHM CCC[C@H](NC(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355880880 528212102 /nfs/dbraw/zinc/21/21/02/528212102.db2.gz NTHINNKUACYHBA-NSHDSACASA-N -1 3 295.339 2.406 20 5 CEBDHM CC(C)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820076816 606644062 /nfs/dbraw/zinc/64/40/62/606644062.db2.gz TZDWNHIZHXWQGH-UHFFFAOYSA-N -1 3 276.300 2.233 20 5 CEBDHM CC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820876749 634559236 /nfs/dbraw/zinc/55/92/36/634559236.db2.gz UEAKTIZOOGCXFZ-MRVPVSSYSA-N -1 3 276.300 2.010 20 5 CEBDHM CC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820876749 634559239 /nfs/dbraw/zinc/55/92/39/634559239.db2.gz UEAKTIZOOGCXFZ-MRVPVSSYSA-N -1 3 276.300 2.010 20 5 CEBDHM C[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000896247895 630508022 /nfs/dbraw/zinc/50/80/22/630508022.db2.gz JAWSWEGJGKSVHI-HTQZYQBOSA-N -1 3 269.326 2.391 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](C)C(=O)[O-] ZINC000830094633 636981277 /nfs/dbraw/zinc/98/12/77/636981277.db2.gz SNXOZXLSDZYXIN-JTQLQIEISA-N -1 3 296.323 2.146 20 5 CEBDHM CC(C)(C)CC(=O)[N-]OCCOc1ccc([N+](=O)[O-])cc1 ZINC000842061014 639935776 /nfs/dbraw/zinc/93/57/76/639935776.db2.gz GXCMLLJQOFOBRA-UHFFFAOYSA-N -1 3 296.323 2.458 20 5 CEBDHM C[C@@H](CF)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848591439 642070959 /nfs/dbraw/zinc/07/09/59/642070959.db2.gz UCJRFXFUEQOREE-ZETCQYMHSA-N -1 3 292.213 2.041 20 5 CEBDHM Cc1cc([C@H]2CCCN2c2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC000853136690 643672634 /nfs/dbraw/zinc/67/26/34/643672634.db2.gz MCJNHCNSUDKIIS-SNVBAGLBSA-N -1 3 290.279 2.333 20 5 CEBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1[N+](=O)[O-] ZINC000133606058 652692374 /nfs/dbraw/zinc/69/23/74/652692374.db2.gz CHMCQOLDGUPXHQ-UHFFFAOYSA-N -1 3 292.207 2.052 20 5 CEBDHM CC[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000723843984 802946162 /nfs/dbraw/zinc/94/61/62/802946162.db2.gz WHAIVKRSZNQVBB-UWVGGRQHSA-N -1 3 281.312 2.313 20 5 CEBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC001149512781 816872421 /nfs/dbraw/zinc/87/24/21/816872421.db2.gz FNLHYWPPKACRIS-UHFFFAOYSA-N -1 3 279.277 2.318 20 5 CEBDHM CCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000028813035 343397664 /nfs/dbraw/zinc/39/76/64/343397664.db2.gz REJJHMAAQPGKBL-UHFFFAOYSA-N -1 3 287.275 2.098 20 5 CEBDHM CC/C=C/C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000295431476 199506199 /nfs/dbraw/zinc/50/61/99/199506199.db2.gz JHVFIWROJYKHFR-SNAWJCMRSA-N -1 3 284.337 2.148 20 5 CEBDHM Cc1[nH]nc(C(=O)[N-]c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000064334443 343688474 /nfs/dbraw/zinc/68/84/74/343688474.db2.gz SIOLUWXCVLDAIK-UHFFFAOYSA-N -1 3 282.206 2.157 20 5 CEBDHM CCC(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048664395 362295469 /nfs/dbraw/zinc/29/54/69/362295469.db2.gz RBNVCAYYQXZRMN-UHFFFAOYSA-N -1 3 290.316 2.201 20 5 CEBDHM COCCCn1ccc([N-]c2ncc([N+](=O)[O-])cc2C)n1 ZINC000092657116 344198686 /nfs/dbraw/zinc/19/86/86/344198686.db2.gz GTKJZAFRLJTHHW-UHFFFAOYSA-N -1 3 291.311 2.275 20 5 CEBDHM C[C@H](CN(C)[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000251104247 344635528 /nfs/dbraw/zinc/63/55/28/344635528.db2.gz NSBWDRMCBHHYIA-NXEZZACHSA-N -1 3 266.297 2.308 20 5 CEBDHM Cc1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)co1 ZINC000588901203 345059535 /nfs/dbraw/zinc/05/95/35/345059535.db2.gz VXMCTZYZIXFWTK-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cccc([N+](=O)[O-])c1 ZINC000593290718 345463100 /nfs/dbraw/zinc/46/31/00/345463100.db2.gz NEODWLPXDBWPPT-BXKDBHETSA-N -1 3 264.281 2.032 20 5 CEBDHM C[C@H]1C[C@H](C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596051989 345928145 /nfs/dbraw/zinc/92/81/45/345928145.db2.gz WLOTYYSAQKHPPJ-IUCAKERBSA-N -1 3 251.286 2.178 20 5 CEBDHM CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)C(=O)[O-] ZINC000595882602 345905229 /nfs/dbraw/zinc/90/52/29/345905229.db2.gz MREGGXHNGXOCJV-QMMMGPOBSA-N -1 3 270.260 2.029 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596166887 345957940 /nfs/dbraw/zinc/95/79/40/345957940.db2.gz YFXCMDRKQRYXJI-SECBINFHSA-N -1 3 279.296 2.209 20 5 CEBDHM Cc1cnc(CCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596173545 345959938 /nfs/dbraw/zinc/95/99/38/345959938.db2.gz WWWZTSBCUHWSEL-UHFFFAOYSA-N -1 3 294.336 2.139 20 5 CEBDHM Cc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596073595 345933418 /nfs/dbraw/zinc/93/34/18/345933418.db2.gz JUIXDCXILFOMKG-UHFFFAOYSA-N -1 3 263.253 2.251 20 5 CEBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1nccs1 ZINC000596198111 345967381 /nfs/dbraw/zinc/96/73/81/345967381.db2.gz HNLNCCLGRSVZNE-ZETCQYMHSA-N -1 3 280.309 2.368 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H](CO)CC2CCCC2)c1[N+](=O)[O-] ZINC000596219719 345972825 /nfs/dbraw/zinc/97/28/25/345972825.db2.gz DJYVEMOHUNGILH-NSHDSACASA-N -1 3 295.339 2.296 20 5 CEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000599000367 346444666 /nfs/dbraw/zinc/44/46/66/346444666.db2.gz SFGBNBZZARGAEO-QOBXEIRBSA-N -1 3 280.324 2.202 20 5 CEBDHM Cc1ccnc([N-]c2cnn(CCF)c2)c1[N+](=O)[O-] ZINC000599141733 346466937 /nfs/dbraw/zinc/46/69/37/346466937.db2.gz QCUKVVRCWSKPEJ-UHFFFAOYSA-N -1 3 265.248 2.208 20 5 CEBDHM C/C=C\C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000599474648 346525743 /nfs/dbraw/zinc/52/57/43/346525743.db2.gz AFEKUFOGPQSGID-PLNGDYQASA-N -1 3 284.337 2.066 20 5 CEBDHM Cc1ccc2c(c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000618369953 348932157 /nfs/dbraw/zinc/93/21/57/348932157.db2.gz VUSHKAOMGSINOU-UHFFFAOYSA-N -1 3 299.286 2.207 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)[O-])C1 ZINC000086728887 363839513 /nfs/dbraw/zinc/83/95/13/363839513.db2.gz AMXAEIWHDQEUKW-MNOVXSKESA-N -1 3 278.308 2.452 20 5 CEBDHM COc1cc(CNCc2ccco2)c([N+](=O)[O-])cc1[O-] ZINC000101588726 364565144 /nfs/dbraw/zinc/56/51/44/364565144.db2.gz ZKNPVHIGCXEIDY-UHFFFAOYSA-N -1 3 278.264 2.192 20 5 CEBDHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649458 368752079 /nfs/dbraw/zinc/75/20/79/368752079.db2.gz HTJFFZFGXXOBIX-GWCFXTLKSA-N -1 3 296.348 2.343 20 5 CEBDHM O=C(Nc1ccsc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187103249 369101424 /nfs/dbraw/zinc/10/14/24/369101424.db2.gz LRIQMSYAELHISE-UHFFFAOYSA-N -1 3 265.250 2.009 20 5 CEBDHM O=C(Nc1ccc(F)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187541047 369175825 /nfs/dbraw/zinc/17/58/25/369175825.db2.gz KOUOMYZHSXLJPP-UHFFFAOYSA-N -1 3 295.201 2.226 20 5 CEBDHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000359934003 155175482 /nfs/dbraw/zinc/17/54/82/155175482.db2.gz DBZPOSXBPUGHMW-WDEREUQCSA-N -1 3 298.364 2.309 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC000152559225 289092815 /nfs/dbraw/zinc/09/28/15/289092815.db2.gz FDPIGVQHGSKIMM-BQYQJAHWSA-N -1 3 299.286 2.251 20 5 CEBDHM O=C([O-])[C@H]1CC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000405361739 289292766 /nfs/dbraw/zinc/29/27/66/289292766.db2.gz FFRGNHYJXBRZRD-GFCCVEGCSA-N -1 3 290.319 2.282 20 5 CEBDHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000471792768 290283298 /nfs/dbraw/zinc/28/32/98/290283298.db2.gz ZEWKIZGVJZRVAZ-SSDOTTSWSA-N -1 3 293.304 2.248 20 5 CEBDHM Cc1cc(C(=O)N2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c(=O)[n-]1 ZINC000366280936 301125369 /nfs/dbraw/zinc/12/53/69/301125369.db2.gz BWIIYWIULIJBKU-MWLCHTKSSA-N -1 3 291.307 2.018 20 5 CEBDHM CN[C@H](CC(C)(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000580645144 322332386 /nfs/dbraw/zinc/33/23/86/322332386.db2.gz XLDYPBYKVJJIDX-SNVBAGLBSA-N -1 3 295.339 2.263 20 5 CEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000049401966 526726774 /nfs/dbraw/zinc/72/67/74/526726774.db2.gz JGGUIFHMOIVRDU-UHFFFAOYSA-N -1 3 272.260 2.230 20 5 CEBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CC=CCC1 ZINC000738360782 574859194 /nfs/dbraw/zinc/85/91/94/574859194.db2.gz YTGSQTSQURIUTK-JTQLQIEISA-N -1 3 286.295 2.296 20 5 CEBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CC=CCC1 ZINC000738360782 574859195 /nfs/dbraw/zinc/85/91/95/574859195.db2.gz YTGSQTSQURIUTK-JTQLQIEISA-N -1 3 286.295 2.296 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1Oc1ncccc1-c1nnn[n-]1 ZINC000822270874 606430758 /nfs/dbraw/zinc/43/07/58/606430758.db2.gz BEVXMOGNIKGJJP-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C)c1[N-]C(=O)c1cccc[n+]1[O-] ZINC000819989629 634308217 /nfs/dbraw/zinc/30/82/17/634308217.db2.gz HTPAAMMJEDMFLL-UHFFFAOYSA-N -1 3 287.275 2.097 20 5 CEBDHM CCCO[N-]C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000844087426 640602008 /nfs/dbraw/zinc/60/20/08/640602008.db2.gz QYYIIGJXDLZTEZ-UHFFFAOYSA-N -1 3 290.678 2.388 20 5 CEBDHM C[C@@]1(C(=O)[O-])CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000079487171 642927414 /nfs/dbraw/zinc/92/74/14/642927414.db2.gz PQGJSOIUVHTTSR-ZDUSSCGKSA-N -1 3 282.271 2.173 20 5 CEBDHM O=C([N-][C@H]1C=CCC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000853825325 643912036 /nfs/dbraw/zinc/91/20/36/643912036.db2.gz JVGZJXGKCNCDBR-VIFPVBQESA-N -1 3 298.245 2.401 20 5 CEBDHM CC(C)(CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)[N+](=O)[O-] ZINC000854581563 644097068 /nfs/dbraw/zinc/09/70/68/644097068.db2.gz PMZFZHXJDJBZSP-UHFFFAOYSA-N -1 3 292.295 2.043 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868523644 648157144 /nfs/dbraw/zinc/15/71/44/648157144.db2.gz YXEKVAFVOYRRPI-SECBINFHSA-N -1 3 284.287 2.370 20 5 CEBDHM O=c1cc(Nc2cccc([N+](=O)[O-])c2)[nH]c(=S)[n-]1 ZINC001204416287 802338646 /nfs/dbraw/zinc/33/86/46/802338646.db2.gz UOSVGDMOXPIBHY-UHFFFAOYSA-N -1 3 264.266 2.123 20 5 CEBDHM CN(C)c1nc(Nc2cccc([N+](=O)[O-])c2F)cc(=O)[n-]1 ZINC001210381816 802677579 /nfs/dbraw/zinc/67/75/79/802677579.db2.gz PUPHPGYUWXNFIL-UHFFFAOYSA-N -1 3 293.258 2.039 20 5 CEBDHM COc1ccc(Nc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC001176363480 816401095 /nfs/dbraw/zinc/40/10/95/816401095.db2.gz NNSHXRJQAZKSJR-UHFFFAOYSA-N -1 3 276.252 2.151 20 5 CEBDHM CCCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601283178 346811974 /nfs/dbraw/zinc/81/19/74/346811974.db2.gz QPKSDUJSFQOXND-UHFFFAOYSA-N -1 3 278.355 2.043 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]CCC(C)C)c([N+](=O)[O-])s1 ZINC000601282691 346812273 /nfs/dbraw/zinc/81/22/73/346812273.db2.gz AHVLKXXPAKNESN-UHFFFAOYSA-N -1 3 292.382 2.289 20 5 CEBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000037598752 343428921 /nfs/dbraw/zinc/42/89/21/343428921.db2.gz IBDLJUJVDQTAFT-SNVBAGLBSA-N -1 3 266.297 2.280 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000043272596 343461815 /nfs/dbraw/zinc/46/18/15/343461815.db2.gz WWAGAVGQFDQYSA-NSHDSACASA-N -1 3 289.295 2.109 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000076308600 343887832 /nfs/dbraw/zinc/88/78/32/343887832.db2.gz GLYDIZQUINKSOO-LLVKDONJSA-N -1 3 296.348 2.290 20 5 CEBDHM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccccc21 ZINC000126947609 344326838 /nfs/dbraw/zinc/32/68/38/344326838.db2.gz MJGPAHXZTJHHTC-SECBINFHSA-N -1 3 299.286 2.459 20 5 CEBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000157544466 344447288 /nfs/dbraw/zinc/44/72/88/344447288.db2.gz PHHGWXBVYFMWSH-SECBINFHSA-N -1 3 284.337 2.062 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227582780 344554668 /nfs/dbraw/zinc/55/46/68/344554668.db2.gz QJPFOWHHRDPDHE-SCVCMEIPSA-N -1 3 278.308 2.451 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(C(=O)[O-])C1 ZINC000227825935 344556975 /nfs/dbraw/zinc/55/69/75/344556975.db2.gz RPOPQXKQYVEBPN-YGRLFVJLSA-N -1 3 278.308 2.452 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000252607274 344640780 /nfs/dbraw/zinc/64/07/80/344640780.db2.gz RGRFDOIHYWSSOG-BREBYQMCSA-N -1 3 278.308 2.451 20 5 CEBDHM O=C([O-])C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000054300314 362523755 /nfs/dbraw/zinc/52/37/55/362523755.db2.gz MBEHTNDHICOXNS-GFCCVEGCSA-N -1 3 278.308 2.282 20 5 CEBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc([N+](=O)[O-])cc1 ZINC000590558476 345145382 /nfs/dbraw/zinc/14/53/82/345145382.db2.gz PRLYCMQKQIQYDZ-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000593730120 345528615 /nfs/dbraw/zinc/52/86/15/345528615.db2.gz KRANCLWNJAYXAF-AEJSXWLSSA-N -1 3 266.297 2.355 20 5 CEBDHM O=c1[n-]ccc(N2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000596133721 345947063 /nfs/dbraw/zinc/94/70/63/345947063.db2.gz ZDRSLXCPPOPNPC-UHFFFAOYSA-N -1 3 285.303 2.301 20 5 CEBDHM CCOCC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596234518 345976050 /nfs/dbraw/zinc/97/60/50/345976050.db2.gz LWEDXQNGILTMPO-UHFFFAOYSA-N -1 3 269.301 2.170 20 5 CEBDHM Cc1cnc([N-]c2cnn(CCF)c2)c([N+](=O)[O-])c1 ZINC000599142367 346466846 /nfs/dbraw/zinc/46/68/46/346466846.db2.gz WGDYDXUQYIRKHY-UHFFFAOYSA-N -1 3 265.248 2.208 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C)c1[N-]C(=O)c1cnns1 ZINC000610664437 347699682 /nfs/dbraw/zinc/69/96/82/347699682.db2.gz BYFVFXYBLATEMZ-UHFFFAOYSA-N -1 3 278.293 2.315 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)[O-])C1 ZINC000086790464 179334610 /nfs/dbraw/zinc/33/46/10/179334610.db2.gz AIXKBHWQUWJGTA-ONGXEEELSA-N -1 3 264.281 2.062 20 5 CEBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OC2CCCC2)c1 ZINC000271832625 191356235 /nfs/dbraw/zinc/35/62/35/191356235.db2.gz XDXCWLZCUTYBRV-UHFFFAOYSA-N -1 3 280.280 2.207 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cnns2)c1 ZINC000338445849 366361398 /nfs/dbraw/zinc/36/13/98/366361398.db2.gz FPBWSVDQDCULLR-UHFFFAOYSA-N -1 3 294.292 2.097 20 5 CEBDHM COc1ccc(NC(=O)[N-]OCC2CC2)cc1[N+](=O)[O-] ZINC000296855595 200017475 /nfs/dbraw/zinc/01/74/75/200017475.db2.gz OTSOGHDXLQCOHB-UHFFFAOYSA-N -1 3 281.268 2.067 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CC(=O)[O-] ZINC000579364896 366635403 /nfs/dbraw/zinc/63/54/03/366635403.db2.gz DVVRBCBGXBGVAQ-LLVKDONJSA-N -1 3 294.307 2.043 20 5 CEBDHM CCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183372412 189357234 /nfs/dbraw/zinc/35/72/34/189357234.db2.gz BQZCRKVMOBPZFC-UHFFFAOYSA-N -1 3 292.744 2.245 20 5 CEBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000014221623 361453592 /nfs/dbraw/zinc/45/35/92/361453592.db2.gz AHFRHCAIMMYSLZ-SECBINFHSA-N -1 3 286.353 2.308 20 5 CEBDHM CC(C)c1cnc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000345297387 368226391 /nfs/dbraw/zinc/22/63/91/368226391.db2.gz DZKKUQUNNAQWKA-UHFFFAOYSA-N -1 3 295.324 2.161 20 5 CEBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(F)c2)cn1 ZINC000348230172 368960504 /nfs/dbraw/zinc/96/05/04/368960504.db2.gz LSLXROWOUQYPHP-UHFFFAOYSA-N -1 3 263.228 2.447 20 5 CEBDHM O=C(Nc1ccc2cc[nH]c2c1)c1cc([N+](=O)[O-])cnc1[O-] ZINC000193259260 369912494 /nfs/dbraw/zinc/91/24/94/369912494.db2.gz YWNCQDDSCSCNCZ-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM O=C(Nc1ccc2cc[nH]c2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000193259260 369912498 /nfs/dbraw/zinc/91/24/98/369912498.db2.gz YWNCQDDSCSCNCZ-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM COCc1nc(Sc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000354387382 370342718 /nfs/dbraw/zinc/34/27/18/370342718.db2.gz LXINUKPWCCAPJU-UHFFFAOYSA-N -1 3 266.282 2.011 20 5 CEBDHM O=C([N-]c1cc2c(cn1)CCC2)c1ccc([N+](=O)[O-])o1 ZINC000359769584 284287786 /nfs/dbraw/zinc/28/77/86/284287786.db2.gz ZVMWYXZBQQPUOE-UHFFFAOYSA-N -1 3 273.248 2.324 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000272529215 373534924 /nfs/dbraw/zinc/53/49/24/373534924.db2.gz ZKXQYKFHTYHLQF-UHFFFAOYSA-N -1 3 284.337 2.445 20 5 CEBDHM CSCCO[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000280135137 375102965 /nfs/dbraw/zinc/10/29/65/375102965.db2.gz WWPNEUQHIBKGPA-QPJJXVBHSA-N -1 3 282.321 2.019 20 5 CEBDHM CSCCO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000280161940 375112752 /nfs/dbraw/zinc/11/27/52/375112752.db2.gz YPVSUUTVJPJLGA-UHFFFAOYSA-N -1 3 290.728 2.273 20 5 CEBDHM CC(C)(C)c1csc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000514905710 379161084 /nfs/dbraw/zinc/16/10/84/379161084.db2.gz MBEMNRAFMAQYGT-UHFFFAOYSA-N -1 3 295.324 2.324 20 5 CEBDHM COC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000549932902 380614984 /nfs/dbraw/zinc/61/49/84/380614984.db2.gz XQNFUMLRDSKKKG-LBPRGKRZSA-N -1 3 268.313 2.061 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC000255885932 394593000 /nfs/dbraw/zinc/59/30/00/394593000.db2.gz FDPIGVQHGSKIMM-FPLPWBNLSA-N -1 3 299.286 2.251 20 5 CEBDHM CCc1n[nH]c(SCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000436472943 395119697 /nfs/dbraw/zinc/11/96/97/395119697.db2.gz CBGUJKXSIUUSAY-UHFFFAOYSA-N -1 3 280.309 2.273 20 5 CEBDHM CCc1ncsc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427389356 395109342 /nfs/dbraw/zinc/10/93/42/395109342.db2.gz GMVLLBHYYBROAO-UHFFFAOYSA-N -1 3 295.324 2.082 20 5 CEBDHM Cc1cc([N-]C(=O)COc2cccc([N+](=O)[O-])c2C)on1 ZINC000194602334 395443367 /nfs/dbraw/zinc/44/33/67/395443367.db2.gz PCFRXLVLEZVHMO-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM C[C@H]1CC[C@@H](N(CCO)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330449559 300039092 /nfs/dbraw/zinc/03/90/92/300039092.db2.gz JDVOBLDYRHYAFV-WCQYABFASA-N -1 3 294.351 2.283 20 5 CEBDHM O=[N+]([O-])c1cnc(NCc2ncccc2[O-])c(Cl)c1 ZINC000359895705 155162073 /nfs/dbraw/zinc/16/20/73/155162073.db2.gz FUCNUOZLGPVSEW-UHFFFAOYSA-N -1 3 280.671 2.356 20 5 CEBDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013939368 299777360 /nfs/dbraw/zinc/77/73/60/299777360.db2.gz WMTXCWOPMOLTJH-QWRGUYRKSA-N -1 3 298.364 2.452 20 5 CEBDHM O=C([O-])CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020457741 171208755 /nfs/dbraw/zinc/20/87/55/171208755.db2.gz UMZUPMQVUBFURC-UHFFFAOYSA-N -1 3 278.308 2.282 20 5 CEBDHM O=C([O-])C[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000038027530 174013816 /nfs/dbraw/zinc/01/38/16/174013816.db2.gz IKMZQFIJTRTKQZ-GFCCVEGCSA-N -1 3 278.308 2.424 20 5 CEBDHM CCC[C@H](CNCc1cc(OC)c([O-])cc1[N+](=O)[O-])OC ZINC000295163762 278935599 /nfs/dbraw/zinc/93/55/99/278935599.db2.gz SNRFIKICFWRZDX-LLVKDONJSA-N -1 3 298.339 2.214 20 5 CEBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]O[C@H]1CCCCO1 ZINC000128236940 279882829 /nfs/dbraw/zinc/88/28/29/279882829.db2.gz LRUIYAZUUIHSRR-MRZGDXHCSA-N -1 3 292.291 2.182 20 5 CEBDHM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])cc3)no2)nc1 ZINC000547295953 298360326 /nfs/dbraw/zinc/36/03/26/298360326.db2.gz MITKJFIUKATFJS-UHFFFAOYSA-N -1 3 284.231 2.412 20 5 CEBDHM C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000567369107 299058737 /nfs/dbraw/zinc/05/87/37/299058737.db2.gz QVYPLEJARUXWSM-JTQLQIEISA-N -1 3 278.308 2.422 20 5 CEBDHM COc1cc(CNc2ccc(F)cn2)c([N+](=O)[O-])cc1[O-] ZINC000181570009 312791846 /nfs/dbraw/zinc/79/18/46/312791846.db2.gz ZFNPZIJRDZDLOH-UHFFFAOYSA-N -1 3 293.254 2.455 20 5 CEBDHM C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C(=O)[O-] ZINC000576950081 314326592 /nfs/dbraw/zinc/32/65/92/314326592.db2.gz CEYHBTHQJYJYHP-QMTHXVAHSA-N -1 3 278.308 2.137 20 5 CEBDHM CC(C)O[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000386039719 321867349 /nfs/dbraw/zinc/86/73/49/321867349.db2.gz DKZXIVSFTOVBOL-FPLPWBNLSA-N -1 3 250.254 2.064 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000584189298 327059624 /nfs/dbraw/zinc/05/96/24/327059624.db2.gz UNFCEHKWYHWOSR-UHFFFAOYSA-N -1 3 296.286 2.225 20 5 CEBDHM CN(CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736787864 574796864 /nfs/dbraw/zinc/79/68/64/574796864.db2.gz GSUANFVYASTPBE-UHFFFAOYSA-N -1 3 290.327 2.257 20 5 CEBDHM CN(CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736787864 574796865 /nfs/dbraw/zinc/79/68/65/574796865.db2.gz GSUANFVYASTPBE-UHFFFAOYSA-N -1 3 290.327 2.257 20 5 CEBDHM O=[N+]([O-])c1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738368095 574859627 /nfs/dbraw/zinc/85/96/27/574859627.db2.gz DVXJOMAUPYJWRR-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM O=[N+]([O-])c1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738368095 574859628 /nfs/dbraw/zinc/85/96/28/574859628.db2.gz DVXJOMAUPYJWRR-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM O=C([O-])C1(NCc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC000739513271 574921967 /nfs/dbraw/zinc/92/19/67/574921967.db2.gz FWQYYMDHMVNXNE-UHFFFAOYSA-N -1 3 282.271 2.221 20 5 CEBDHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000825480270 603621706 /nfs/dbraw/zinc/62/17/06/603621706.db2.gz VIEQXZHSMRGXCA-QWRGUYRKSA-N -1 3 293.323 2.388 20 5 CEBDHM Cc1c([C@@H](C)NCCN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000829859322 604952976 /nfs/dbraw/zinc/95/29/76/604952976.db2.gz LBTWSZXKBTZTBA-SNVBAGLBSA-N -1 3 281.312 2.164 20 5 CEBDHM Cc1cccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1[O-] ZINC000819899597 634276648 /nfs/dbraw/zinc/27/66/48/634276648.db2.gz QJVQMGJBSVNHTM-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OC1CCC1 ZINC000832332258 637547665 /nfs/dbraw/zinc/54/76/65/637547665.db2.gz HKAGLMHMHHTZMG-UHFFFAOYSA-N -1 3 292.291 2.158 20 5 CEBDHM CC(C)(C)CC(=O)[N-]OCCOc1ccccc1[N+](=O)[O-] ZINC000842061943 639935186 /nfs/dbraw/zinc/93/51/86/639935186.db2.gz UHORSFREWIWRMI-UHFFFAOYSA-N -1 3 296.323 2.458 20 5 CEBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccsc1 ZINC000853366012 643756505 /nfs/dbraw/zinc/75/65/05/643756505.db2.gz BEWCNNADBGTWLL-GFCCVEGCSA-N -1 3 295.320 2.077 20 5 CEBDHM O=[N+]([O-])c1ccc(NC([O-])=NO[C@H]2CCCCO2)c(F)c1 ZINC000775383881 646947735 /nfs/dbraw/zinc/94/77/35/646947735.db2.gz OOXRPVOBTLNOTL-NSHDSACASA-N -1 3 299.258 2.314 20 5 CEBDHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000775383881 646947736 /nfs/dbraw/zinc/94/77/36/646947736.db2.gz OOXRPVOBTLNOTL-NSHDSACASA-N -1 3 299.258 2.314 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1[N+](=O)[O-] ZINC000872695647 649458272 /nfs/dbraw/zinc/45/82/72/649458272.db2.gz ILRQAMGTBQKVTA-YWVKMMECSA-N -1 3 279.296 2.065 20 5 CEBDHM Cc1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])nc1 ZINC001163210576 810053957 /nfs/dbraw/zinc/05/39/57/810053957.db2.gz SZLGSECBLVVWEJ-UHFFFAOYSA-N -1 3 274.280 2.035 20 5 CEBDHM O=c1cc(Nc2cc([N+](=O)[O-])ccc2F)[nH]c(=S)[n-]1 ZINC001175735896 816272040 /nfs/dbraw/zinc/27/20/40/816272040.db2.gz LVTQEYJUQMFVOY-UHFFFAOYSA-N -1 3 282.256 2.262 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601291229 346813865 /nfs/dbraw/zinc/81/38/65/346813865.db2.gz IGSDEDITGCVINV-ZETCQYMHSA-N -1 3 290.366 2.042 20 5 CEBDHM COc1cc(CN[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000337714129 214230318 /nfs/dbraw/zinc/23/03/18/214230318.db2.gz PUCIBAXFCRRAQS-GFCCVEGCSA-N -1 3 266.297 2.197 20 5 CEBDHM CC(C)=CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601401053 346832361 /nfs/dbraw/zinc/83/23/61/346832361.db2.gz DXJDLRAKWGIDLP-UHFFFAOYSA-N -1 3 290.366 2.209 20 5 CEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601410794 346834357 /nfs/dbraw/zinc/83/43/57/346834357.db2.gz JUHNPYVSRNUGDT-HTQZYQBOSA-N -1 3 290.366 2.042 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)C)cc1C ZINC000048840308 362307179 /nfs/dbraw/zinc/30/71/79/362307179.db2.gz NLYUJXTZLKFBRF-UHFFFAOYSA-N -1 3 286.353 2.146 20 5 CEBDHM CC1(C)[C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000093660974 344227753 /nfs/dbraw/zinc/22/77/53/344227753.db2.gz LXXSBAVEIGNCBR-TXEJJXNPSA-N -1 3 262.309 2.388 20 5 CEBDHM Cc1ccc(F)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000138600620 344390909 /nfs/dbraw/zinc/39/09/09/344390909.db2.gz KHERSYZBQIVNHH-UHFFFAOYSA-N -1 3 278.243 2.028 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227584274 344554786 /nfs/dbraw/zinc/55/47/86/344554786.db2.gz RGRFDOIHYWSSOG-NRUUGDAUSA-N -1 3 278.308 2.451 20 5 CEBDHM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593734808 345529835 /nfs/dbraw/zinc/52/98/35/345529835.db2.gz FAURNKCQAZIOHE-VIFPVBQESA-N -1 3 264.281 2.135 20 5 CEBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000595364250 345769855 /nfs/dbraw/zinc/76/98/55/345769855.db2.gz MNWQYFXROPHWCN-ZDUSSCGKSA-N -1 3 298.364 2.308 20 5 CEBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596154670 345954049 /nfs/dbraw/zinc/95/40/49/345954049.db2.gz LOQSDTVEDPRWKY-UHFFFAOYSA-N -1 3 269.326 2.027 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CCCCS2)c1[N+](=O)[O-] ZINC000596191214 345965406 /nfs/dbraw/zinc/96/54/06/345965406.db2.gz LCMMEBILLHSQCR-QMMMGPOBSA-N -1 3 269.326 2.393 20 5 CEBDHM CC(C)OC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596120266 345944555 /nfs/dbraw/zinc/94/45/55/345944555.db2.gz JEUMZCYIJQVPBA-UHFFFAOYSA-N -1 3 281.312 2.089 20 5 CEBDHM CC(C)SCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596232440 345975640 /nfs/dbraw/zinc/97/56/40/345975640.db2.gz UCQLKWOFDIXHQG-UHFFFAOYSA-N -1 3 257.315 2.249 20 5 CEBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccn1 ZINC000596249859 345980578 /nfs/dbraw/zinc/98/05/78/345980578.db2.gz LHWWARHMQCSMLP-UHFFFAOYSA-N -1 3 288.307 2.480 20 5 CEBDHM C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])c2nccn21 ZINC000596257863 345982838 /nfs/dbraw/zinc/98/28/38/345982838.db2.gz RZUICHLWOXJKHX-VXNVDRBHSA-N -1 3 275.268 2.010 20 5 CEBDHM CC(C)CCO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596576203 346059198 /nfs/dbraw/zinc/05/91/98/346059198.db2.gz DOTOGXXYUQCKSQ-LLVKDONJSA-N -1 3 295.339 2.337 20 5 CEBDHM CC1(c2ccccc2)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000598637223 346389625 /nfs/dbraw/zinc/38/96/25/346389625.db2.gz KVVGGESVPNEKLM-UHFFFAOYSA-N -1 3 285.303 2.473 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(-c2ccncc2)c1 ZINC000608909219 347623996 /nfs/dbraw/zinc/62/39/96/347623996.db2.gz BZEPAKZIGLFTQM-UHFFFAOYSA-N -1 3 282.263 2.314 20 5 CEBDHM CCc1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000610070437 347659384 /nfs/dbraw/zinc/65/93/84/347659384.db2.gz SOMAYUONQMCIGM-UHFFFAOYSA-N -1 3 295.682 2.473 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779971 179330204 /nfs/dbraw/zinc/33/02/04/179330204.db2.gz RPOPQXKQYVEBPN-QMTHXVAHSA-N -1 3 278.308 2.452 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]C2CCCC2)cc1[N+](=O)[O-] ZINC000122690028 187046146 /nfs/dbraw/zinc/04/61/46/187046146.db2.gz FISSZYNVRRPBED-UHFFFAOYSA-N -1 3 290.366 2.186 20 5 CEBDHM COCc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2C)no1 ZINC000173054349 367865095 /nfs/dbraw/zinc/86/50/95/367865095.db2.gz QRXSYNAOCHLAGJ-UHFFFAOYSA-N -1 3 291.263 2.290 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C2CC2)c1C ZINC000178282279 368295840 /nfs/dbraw/zinc/29/58/40/368295840.db2.gz ROSMGZYJVYIVRB-SNVBAGLBSA-N -1 3 298.364 2.288 20 5 CEBDHM Cc1ocnc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000347959647 368841035 /nfs/dbraw/zinc/84/10/35/368841035.db2.gz MZMXRUGZVWRPKE-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM Cc1c(NC(=O)c2cccc3nn[n-]c32)cccc1[N+](=O)[O-] ZINC000189533518 369533461 /nfs/dbraw/zinc/53/34/61/369533461.db2.gz FZZLXMIJOZEZRR-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1c(NC(=O)c2cccc3[n-]nnc32)cccc1[N+](=O)[O-] ZINC000189533518 369533471 /nfs/dbraw/zinc/53/34/71/369533471.db2.gz FZZLXMIJOZEZRR-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1c(NC(=O)c2cccc3n[n-]nc32)cccc1[N+](=O)[O-] ZINC000189533518 369533474 /nfs/dbraw/zinc/53/34/74/369533474.db2.gz FZZLXMIJOZEZRR-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CC1(C)C ZINC000352470265 369745527 /nfs/dbraw/zinc/74/55/27/369745527.db2.gz IJUBKKQXMNZRPZ-JTQLQIEISA-N -1 3 298.364 2.228 20 5 CEBDHM Cc1ccc([C@H](C)[N-]C(=O)C(F)F)cc1[N+](=O)[O-] ZINC000194726650 370069018 /nfs/dbraw/zinc/06/90/18/370069018.db2.gz FEKKKEBKUJDIHD-ZETCQYMHSA-N -1 3 258.224 2.346 20 5 CEBDHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013939367 296339654 /nfs/dbraw/zinc/33/96/54/296339654.db2.gz WMTXCWOPMOLTJH-MNOVXSKESA-N -1 3 298.364 2.452 20 5 CEBDHM CC[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590588788 400614932 /nfs/dbraw/zinc/61/49/32/400614932.db2.gz KAKWBTHZWPWKKV-QMMMGPOBSA-N -1 3 290.316 2.119 20 5 CEBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCOCC1 ZINC000339070134 287040337 /nfs/dbraw/zinc/04/03/37/287040337.db2.gz HSTIGGOPGKLTNI-SNVBAGLBSA-N -1 3 280.324 2.205 20 5 CEBDHM Cc1c(CN(C)CCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000042718215 174857070 /nfs/dbraw/zinc/85/70/70/174857070.db2.gz LFYJZUUZAJXHDB-UHFFFAOYSA-N -1 3 266.297 2.200 20 5 CEBDHM CCC(C)(C)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000274833301 282012958 /nfs/dbraw/zinc/01/29/58/282012958.db2.gz SFHAVWSBMBFMPT-VIFPVBQESA-N -1 3 295.339 2.406 20 5 CEBDHM O=C(Nc1ccc([O-])c2ccccc12)c1n[nH]cc1[N+](=O)[O-] ZINC000535717531 298188207 /nfs/dbraw/zinc/18/82/07/298188207.db2.gz RGADDSZRNNUKLZ-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1F ZINC000119542018 627944838 /nfs/dbraw/zinc/94/48/38/627944838.db2.gz OISNJFNBUWVSKU-UHFFFAOYSA-N -1 3 291.238 2.274 20 5 CEBDHM O=c1cc([C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894373983 629404047 /nfs/dbraw/zinc/40/40/47/629404047.db2.gz ZFPYFQZWNQTBPR-SSDOTTSWSA-N -1 3 280.309 2.079 20 5 CEBDHM C[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000896247897 630508426 /nfs/dbraw/zinc/50/84/26/630508426.db2.gz JAWSWEGJGKSVHI-JGVFFNPUSA-N -1 3 269.326 2.391 20 5 CEBDHM CCCO[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000844085716 640601079 /nfs/dbraw/zinc/60/10/79/640601079.db2.gz PLJPJLKQOPUFJV-UHFFFAOYSA-N -1 3 277.280 2.076 20 5 CEBDHM O=C([N-]c1ccon1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000154672239 640950071 /nfs/dbraw/zinc/95/00/71/640950071.db2.gz FMEDATKWLUQYDB-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM CC(C)(O)[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000877796974 650913646 /nfs/dbraw/zinc/91/36/46/650913646.db2.gz OJKMHQPYRPFBRC-GFCCVEGCSA-N -1 3 294.351 2.283 20 5 CEBDHM O=c1[n-]ccc(NCC[C@@H]2CCCS2)c1[N+](=O)[O-] ZINC000715666034 814985380 /nfs/dbraw/zinc/98/53/80/814985380.db2.gz HNIIQSGRSHXRBO-QMMMGPOBSA-N -1 3 269.326 2.393 20 5 CEBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ncccc1F ZINC001225667976 805112952 /nfs/dbraw/zinc/11/29/52/805112952.db2.gz XODXQHSOSUDSKD-SSDOTTSWSA-N -1 3 279.227 2.370 20 5 CEBDHM CC(C)(C)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC001121000359 815304938 /nfs/dbraw/zinc/30/49/38/815304938.db2.gz NBYOHZCYIVAEJG-NSHDSACASA-N -1 3 295.339 2.337 20 5 CEBDHM O=[N+]([O-])c1c[nH]c2nc(NCc3ncccc3[O-])ccc12 ZINC001169726984 811629819 /nfs/dbraw/zinc/62/98/19/811629819.db2.gz JKZBVQWLUHSRSE-UHFFFAOYSA-N -1 3 285.263 2.184 20 5 CEBDHM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000037654498 361919270 /nfs/dbraw/zinc/91/92/70/361919270.db2.gz BWBALNFQRMNQER-UHFFFAOYSA-N -1 3 264.281 2.034 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(C)C2)cc1C ZINC000080816243 344026657 /nfs/dbraw/zinc/02/66/57/344026657.db2.gz QEHCTJOUZVAPQG-UHFFFAOYSA-N -1 3 298.364 2.288 20 5 CEBDHM CC(C)[C@@H](CNCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000594540257 345644786 /nfs/dbraw/zinc/64/47/86/345644786.db2.gz UCUKTOGHVDYIPE-SECBINFHSA-N -1 3 272.326 2.103 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596052980 345928880 /nfs/dbraw/zinc/92/88/80/345928880.db2.gz CVUVBUHFZJCBIA-SSDOTTSWSA-N -1 3 291.229 2.474 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1[N+](=O)[O-] ZINC000596162063 345956748 /nfs/dbraw/zinc/95/67/48/345956748.db2.gz YAIMFWHGKCCDLH-FXPVBKGRSA-N -1 3 279.296 2.065 20 5 CEBDHM CCC(CC)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC ZINC000596175883 345960713 /nfs/dbraw/zinc/96/07/13/345960713.db2.gz WQIIVSPLSHQEFG-UHFFFAOYSA-N -1 3 297.311 2.087 20 5 CEBDHM CC(C)(C)c1nc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])n[nH]1 ZINC000596065068 345931790 /nfs/dbraw/zinc/93/17/90/345931790.db2.gz BTRIWSAHWDVBAH-UHFFFAOYSA-N -1 3 295.324 2.262 20 5 CEBDHM C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596095499 345938890 /nfs/dbraw/zinc/93/88/90/345938890.db2.gz PPVYBTZVXXTVKT-VIFPVBQESA-N -1 3 251.286 2.322 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000596119083 345943874 /nfs/dbraw/zinc/94/38/74/345943874.db2.gz KZLPHQISGHCCHX-SECBINFHSA-N -1 3 275.264 2.282 20 5 CEBDHM CCc1nc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC000596122858 345945331 /nfs/dbraw/zinc/94/53/31/345945331.db2.gz PPQWWVMRKMPBTL-UHFFFAOYSA-N -1 3 280.309 2.326 20 5 CEBDHM CCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC000596144354 345951143 /nfs/dbraw/zinc/95/11/43/345951143.db2.gz DVPHNLRNOKVQDB-UHFFFAOYSA-N -1 3 281.312 2.314 20 5 CEBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)O1 ZINC000596204085 345968742 /nfs/dbraw/zinc/96/87/42/345968742.db2.gz NQOVQYCJEYAWMQ-UHFFFAOYSA-N -1 3 281.312 2.089 20 5 CEBDHM CC1(C)CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596209406 345969833 /nfs/dbraw/zinc/96/98/33/345969833.db2.gz OVYQQWFPTLTERS-MRVPVSSYSA-N -1 3 267.285 2.065 20 5 CEBDHM C[C@@H]1CC2(CCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596208795 345970045 /nfs/dbraw/zinc/97/00/45/345970045.db2.gz MSKSXETWABEBMJ-SECBINFHSA-N -1 3 263.297 2.464 20 5 CEBDHM C[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])c2nccn21 ZINC000596257860 345982986 /nfs/dbraw/zinc/98/29/86/345982986.db2.gz RZUICHLWOXJKHX-APPZFPTMSA-N -1 3 275.268 2.010 20 5 CEBDHM O=c1[n-]ccc(N2C[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596267490 345986013 /nfs/dbraw/zinc/98/60/13/345986013.db2.gz ZGWFTWFTEFMKEK-AOOOYVTPSA-N -1 3 263.297 2.322 20 5 CEBDHM C[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CS1 ZINC000596273165 345988033 /nfs/dbraw/zinc/98/80/33/345988033.db2.gz OHXQKAAHFYZSHB-NKWVEPMBSA-N -1 3 255.299 2.001 20 5 CEBDHM CC1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000062844435 362724640 /nfs/dbraw/zinc/72/46/40/362724640.db2.gz NBSSORIYBMWCNZ-UHFFFAOYSA-N -1 3 278.308 2.282 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600800244 346692041 /nfs/dbraw/zinc/69/20/41/346692041.db2.gz JYZMQCJMGPSUDR-BXUZGUMPSA-N -1 3 292.335 2.446 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086780091 179329812 /nfs/dbraw/zinc/32/98/12/179329812.db2.gz QDSDIQJAWRKWQH-IINYFYTJSA-N -1 3 278.308 2.452 20 5 CEBDHM COc1nnc([N-]C(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000618700018 349021125 /nfs/dbraw/zinc/02/11/25/349021125.db2.gz DEROTTUARRHAAK-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM O=C(CCOc1ccccc1[N+](=O)[O-])[N-]OC1CCCC1 ZINC000271750431 191304838 /nfs/dbraw/zinc/30/48/38/191304838.db2.gz KNWOJSQRZHGVQT-UHFFFAOYSA-N -1 3 294.307 2.354 20 5 CEBDHM CCc1ccc([O-])c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000074827435 363401644 /nfs/dbraw/zinc/40/16/44/363401644.db2.gz XJAHTGRAFAWMIS-UHFFFAOYSA-N -1 3 290.279 2.147 20 5 CEBDHM C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@]1(C)C(=O)[O-] ZINC000569935263 299228258 /nfs/dbraw/zinc/22/82/58/299228258.db2.gz LOMGMLVFQMDMHL-PRHODGIISA-N -1 3 284.337 2.199 20 5 CEBDHM CC/C=C\C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451777417 283102023 /nfs/dbraw/zinc/10/20/23/283102023.db2.gz RDRXDZLHMZXPGU-PLNGDYQASA-N -1 3 284.337 2.148 20 5 CEBDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152892711 366720135 /nfs/dbraw/zinc/72/01/35/366720135.db2.gz HJXUTIUATQRZLU-GHMZBOCLSA-N -1 3 298.364 2.452 20 5 CEBDHM Cc1ccc([O-])c(CNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000103343216 364642180 /nfs/dbraw/zinc/64/21/80/364642180.db2.gz RBASYJCRNOXQMQ-UHFFFAOYSA-N -1 3 273.292 2.294 20 5 CEBDHM O=C([O-])CN(Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000572134574 299349194 /nfs/dbraw/zinc/34/91/94/299349194.db2.gz BVSHOHLVNIPNKB-UHFFFAOYSA-N -1 3 264.281 2.034 20 5 CEBDHM C[C@H](CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000583877662 367110331 /nfs/dbraw/zinc/11/03/31/367110331.db2.gz UJMKSGFABYIUNK-SNVBAGLBSA-N -1 3 278.308 2.280 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000352487218 369752539 /nfs/dbraw/zinc/75/25/39/369752539.db2.gz BGURFEFDKLCQOG-JTQLQIEISA-N -1 3 298.364 2.228 20 5 CEBDHM COCc1nnc(Sc2nc(C)cc(C)c2[N+](=O)[O-])[n-]1 ZINC000359095878 371335662 /nfs/dbraw/zinc/33/56/62/371335662.db2.gz KLRCJAJVSZGVIG-UHFFFAOYSA-N -1 3 295.324 2.022 20 5 CEBDHM COCc1n[n-]c(Sc2nc(C)cc(C)c2[N+](=O)[O-])n1 ZINC000359095878 371335666 /nfs/dbraw/zinc/33/56/66/371335666.db2.gz KLRCJAJVSZGVIG-UHFFFAOYSA-N -1 3 295.324 2.022 20 5 CEBDHM COCc1nc(Sc2nc(C)cc(C)c2[N+](=O)[O-])n[n-]1 ZINC000359095878 371335668 /nfs/dbraw/zinc/33/56/68/371335668.db2.gz KLRCJAJVSZGVIG-UHFFFAOYSA-N -1 3 295.324 2.022 20 5 CEBDHM CC(C)(C)n1cnc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000344069755 217036731 /nfs/dbraw/zinc/03/67/31/217036731.db2.gz KRJIGYQWJMCWMG-UHFFFAOYSA-N -1 3 295.324 2.255 20 5 CEBDHM CCc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000344249606 217119908 /nfs/dbraw/zinc/11/99/08/217119908.db2.gz TZDOHLYQLWXGMH-UHFFFAOYSA-N -1 3 296.283 2.400 20 5 CEBDHM CCO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000289812640 376512339 /nfs/dbraw/zinc/51/23/39/376512339.db2.gz OBIMIIMBSZRNOO-UHFFFAOYSA-N -1 3 253.258 2.230 20 5 CEBDHM C[C@@H](O)C[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330458862 377144275 /nfs/dbraw/zinc/14/42/75/377144275.db2.gz PPONLJADWWJCJV-DGCLKSJQSA-N -1 3 294.351 2.426 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000564336629 377378703 /nfs/dbraw/zinc/37/87/03/377378703.db2.gz CGMFXHPFYUBBIU-WDEREUQCSA-N -1 3 278.308 2.371 20 5 CEBDHM Cc1cc2n[nH]cc2cc1[N-]c1ncc([N+](=O)[O-])cn1 ZINC000302703163 379429108 /nfs/dbraw/zinc/42/91/08/379429108.db2.gz IPRIABSIQAPRCB-UHFFFAOYSA-N -1 3 270.252 2.313 20 5 CEBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000527065232 379727867 /nfs/dbraw/zinc/72/78/67/379727867.db2.gz PJBBCUCRDQELRV-VIFPVBQESA-N -1 3 296.714 2.172 20 5 CEBDHM CC(C)OCCO[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493243891 380874604 /nfs/dbraw/zinc/87/46/04/380874604.db2.gz YEGYFKINDFAHTC-VOTSOKGWSA-N -1 3 294.307 2.081 20 5 CEBDHM CCCSC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426780138 395078838 /nfs/dbraw/zinc/07/88/38/395078838.db2.gz OSBNYMKNXIELCD-GFCCVEGCSA-N -1 3 298.364 2.281 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c(C)noc1C ZINC000427602633 395123774 /nfs/dbraw/zinc/12/37/74/395123774.db2.gz HDWRHTSRBNHWIA-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000420711777 395409677 /nfs/dbraw/zinc/40/96/77/395409677.db2.gz ZKOSPRCNACWNBL-MRVPVSSYSA-N -1 3 290.316 2.058 20 5 CEBDHM CCC(C)(C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000274833299 282028258 /nfs/dbraw/zinc/02/82/58/282028258.db2.gz SFHAVWSBMBFMPT-SECBINFHSA-N -1 3 295.339 2.406 20 5 CEBDHM C[C@H](C(=O)[O-])N(Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000580904514 322354094 /nfs/dbraw/zinc/35/40/94/322354094.db2.gz VRLPXHOGIAFNFR-MRVPVSSYSA-N -1 3 284.337 2.484 20 5 CEBDHM CCCN(CCC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736472969 574789980 /nfs/dbraw/zinc/78/99/80/574789980.db2.gz DZKMAEJETFRSID-UHFFFAOYSA-N -1 3 290.327 2.401 20 5 CEBDHM CCCN(CCC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736472969 574789981 /nfs/dbraw/zinc/78/99/81/574789981.db2.gz DZKMAEJETFRSID-UHFFFAOYSA-N -1 3 290.327 2.401 20 5 CEBDHM CCC[C@](C)(NCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736963445 574800590 /nfs/dbraw/zinc/80/05/90/574800590.db2.gz YVWCWMKFKIFRRK-ZDUSSCGKSA-N -1 3 284.287 2.467 20 5 CEBDHM C[C@@H](CN(C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633512 601114250 /nfs/dbraw/zinc/11/42/50/601114250.db2.gz WEQUFSIYDCSMLW-QMMMGPOBSA-N -1 3 286.715 2.401 20 5 CEBDHM Cc1c([C@H](C)NCCN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000829859276 604953366 /nfs/dbraw/zinc/95/33/66/604953366.db2.gz LBTWSZXKBTZTBA-JTQLQIEISA-N -1 3 281.312 2.164 20 5 CEBDHM C[C@@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820726836 606423436 /nfs/dbraw/zinc/42/34/36/606423436.db2.gz BXTKUDMXPBPRIF-DTWKUNHWSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820726836 606423438 /nfs/dbraw/zinc/42/34/38/606423438.db2.gz BXTKUDMXPBPRIF-DTWKUNHWSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824655165 608016727 /nfs/dbraw/zinc/01/67/27/608016727.db2.gz BQTHRWPKBNLKCY-MRVPVSSYSA-N -1 3 299.294 2.276 20 5 CEBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824655165 608016728 /nfs/dbraw/zinc/01/67/28/608016728.db2.gz BQTHRWPKBNLKCY-MRVPVSSYSA-N -1 3 299.294 2.276 20 5 CEBDHM COCCN(CCC(=O)[O-])[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903711517 635243080 /nfs/dbraw/zinc/24/30/80/635243080.db2.gz BAWKGKFFIMBFMR-LLVKDONJSA-N -1 3 296.323 2.079 20 5 CEBDHM Cc1ccc2c(c1)CCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770696701 646428748 /nfs/dbraw/zinc/42/87/48/646428748.db2.gz XPLCCKWBEZRECU-UHFFFAOYSA-N -1 3 299.286 2.207 20 5 CEBDHM CC1(C)C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CCO1 ZINC001225666106 805108068 /nfs/dbraw/zinc/10/80/68/805108068.db2.gz GGOMPWZWSFDCIT-MRVPVSSYSA-N -1 3 268.269 2.032 20 5 CEBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000043801090 362150904 /nfs/dbraw/zinc/15/09/04/362150904.db2.gz SOAJEDAJTYWBGX-MNOVXSKESA-N -1 3 298.364 2.452 20 5 CEBDHM CC1(C)CC(=O)[N-]N(c2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000601939453 346933938 /nfs/dbraw/zinc/93/39/38/346933938.db2.gz KQJDBTQSEFCEJI-UHFFFAOYSA-N -1 3 297.698 2.042 20 5 CEBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000093503309 344226090 /nfs/dbraw/zinc/22/60/90/344226090.db2.gz NZWUTQVZVJSDAP-NXEZZACHSA-N -1 3 250.298 2.388 20 5 CEBDHM Cc1cc(NCC2(N(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592973904 345417285 /nfs/dbraw/zinc/41/72/85/345417285.db2.gz INUOEERAJKOJLY-UHFFFAOYSA-N -1 3 293.323 2.108 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H](CC)C(=O)[O-] ZINC000593287937 345462833 /nfs/dbraw/zinc/46/28/33/345462833.db2.gz AFCQOJXQAUPBGE-GFCCVEGCSA-N -1 3 296.323 2.289 20 5 CEBDHM CCCN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733379 345529626 /nfs/dbraw/zinc/52/96/26/345529626.db2.gz SXVRBRUGNLIQPX-UHFFFAOYSA-N -1 3 252.270 2.135 20 5 CEBDHM Cc1c(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000595279583 345753340 /nfs/dbraw/zinc/75/33/40/345753340.db2.gz RVXDBSUFXHTAEK-TXEJJXNPSA-N -1 3 278.308 2.198 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596052982 345928900 /nfs/dbraw/zinc/92/89/00/345928900.db2.gz CVUVBUHFZJCBIA-ZETCQYMHSA-N -1 3 291.229 2.474 20 5 CEBDHM CC(C)CSCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596175065 345960038 /nfs/dbraw/zinc/96/00/38/345960038.db2.gz KQJOVRKWGPFWGQ-UHFFFAOYSA-N -1 3 271.342 2.497 20 5 CEBDHM O=c1[n-]ccc(NCCCc2nccs2)c1[N+](=O)[O-] ZINC000596127330 345945749 /nfs/dbraw/zinc/94/57/49/345945749.db2.gz YUVIHIISNPWWJY-UHFFFAOYSA-N -1 3 280.309 2.197 20 5 CEBDHM CC1(C)CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596209407 345969952 /nfs/dbraw/zinc/96/99/52/345969952.db2.gz OVYQQWFPTLTERS-QMMMGPOBSA-N -1 3 267.285 2.065 20 5 CEBDHM COC1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596244952 345979656 /nfs/dbraw/zinc/97/96/56/345979656.db2.gz VDJOPLWHIVEXRO-UHFFFAOYSA-N -1 3 267.285 2.067 20 5 CEBDHM C[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])c2nccn21 ZINC000596257862 345982863 /nfs/dbraw/zinc/98/28/63/345982863.db2.gz RZUICHLWOXJKHX-IONNQARKSA-N -1 3 275.268 2.010 20 5 CEBDHM CC(C)(C)C1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596260708 345984132 /nfs/dbraw/zinc/98/41/32/345984132.db2.gz IWKXAPPTISHXAA-UHFFFAOYSA-N -1 3 251.286 2.178 20 5 CEBDHM CC1(C)C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596263588 345984683 /nfs/dbraw/zinc/98/46/83/345984683.db2.gz ICMAZFBTIJPYIF-SECBINFHSA-N -1 3 281.312 2.313 20 5 CEBDHM CC(C)O[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596290480 345992307 /nfs/dbraw/zinc/99/23/07/345992307.db2.gz OKBMCVVUONUBOL-SNVBAGLBSA-N -1 3 281.312 2.089 20 5 CEBDHM O=[N+]([O-])c1cc(F)cnc1[N-]c1cnn2c1CCCC2 ZINC000601234822 346798707 /nfs/dbraw/zinc/79/87/07/346798707.db2.gz XGZCMJRLZHELDY-UHFFFAOYSA-N -1 3 277.259 2.405 20 5 CEBDHM Cn1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000129761844 365892424 /nfs/dbraw/zinc/89/24/24/365892424.db2.gz DQMCNVSQTDIBGK-UHFFFAOYSA-N -1 3 253.649 2.120 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cocn1 ZINC000619607424 349204266 /nfs/dbraw/zinc/20/42/66/349204266.db2.gz JTTYWPBVEHUHRH-UHFFFAOYSA-N -1 3 277.236 2.234 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]CCC(C)C)cc1[N+](=O)[O-] ZINC000122678669 187045729 /nfs/dbraw/zinc/04/57/29/187045729.db2.gz SQGUGMNLZKUJOT-UHFFFAOYSA-N -1 3 292.382 2.289 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155402566 188203638 /nfs/dbraw/zinc/20/36/38/188203638.db2.gz PYIFYUICCOYDJK-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155402566 188203639 /nfs/dbraw/zinc/20/36/39/188203639.db2.gz PYIFYUICCOYDJK-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000013724797 361439962 /nfs/dbraw/zinc/43/99/62/361439962.db2.gz XSDGQKPZSDYXAR-UHFFFAOYSA-N -1 3 298.345 2.135 20 5 CEBDHM O=C([O-])CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000340681111 366984744 /nfs/dbraw/zinc/98/47/44/366984744.db2.gz PJHJLOCPOGMZFK-UHFFFAOYSA-N -1 3 290.275 2.419 20 5 CEBDHM CCOc1cc(CN(CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000584356422 367150424 /nfs/dbraw/zinc/15/04/24/367150424.db2.gz MPSWZOPQKIBXCP-UHFFFAOYSA-N -1 3 294.307 2.043 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000163054396 367215296 /nfs/dbraw/zinc/21/52/96/367215296.db2.gz LXQZWUXPRZZQBB-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000163054396 367215299 /nfs/dbraw/zinc/21/52/99/367215299.db2.gz LXQZWUXPRZZQBB-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1cc(C)c([N+](=O)[O-])c(NCc2cnc(C)[n-]c2=O)n1 ZINC000343607392 367912845 /nfs/dbraw/zinc/91/28/45/367912845.db2.gz QFYJYZUKMHNBDH-UHFFFAOYSA-N -1 3 289.295 2.023 20 5 CEBDHM C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000235324363 370561777 /nfs/dbraw/zinc/56/17/77/370561777.db2.gz RGXSNJSRUCTUJD-MFKMUULPSA-N -1 3 278.308 2.280 20 5 CEBDHM CN[C@H](CC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000387700061 375278893 /nfs/dbraw/zinc/27/88/93/375278893.db2.gz WZYQUAOGYXOVSX-LLVKDONJSA-N -1 3 295.339 2.263 20 5 CEBDHM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416531926 376086757 /nfs/dbraw/zinc/08/67/57/376086757.db2.gz PVSQCVLWMHOBLJ-GHMZBOCLSA-N -1 3 298.364 2.308 20 5 CEBDHM C[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC=CCC1 ZINC000416559277 376094589 /nfs/dbraw/zinc/09/45/89/376094589.db2.gz NZDDLEFEIPVIIQ-ZDUSSCGKSA-N -1 3 296.348 2.372 20 5 CEBDHM C[C@@H](CF)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288006140 376359412 /nfs/dbraw/zinc/35/94/12/376359412.db2.gz BCKRVNVMPHKEJQ-ZETCQYMHSA-N -1 3 276.214 2.161 20 5 CEBDHM Cc1cc(NCCN(C)C2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565037648 377540460 /nfs/dbraw/zinc/54/04/60/377540460.db2.gz FEXOXPQMLGYAAK-UHFFFAOYSA-N -1 3 293.323 2.108 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)cc1C ZINC000332156152 377529694 /nfs/dbraw/zinc/52/96/94/377529694.db2.gz PPHDQPJFWHUFHE-WDEREUQCSA-N -1 3 298.364 2.146 20 5 CEBDHM Cc1c(CN(C)[C@@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000516665097 379304245 /nfs/dbraw/zinc/30/42/45/379304245.db2.gz UWZBYIQAHDAKMZ-VIFPVBQESA-N -1 3 266.297 2.198 20 5 CEBDHM O=C([N-]CCc1ccccc1[N+](=O)[O-])C(F)(F)C(F)F ZINC000267203162 190311715 /nfs/dbraw/zinc/31/17/15/190311715.db2.gz FSFKVQFHTPYVGX-UHFFFAOYSA-N -1 3 294.204 2.154 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1NC([O-])=NOCC1CC1 ZINC000296586025 395322605 /nfs/dbraw/zinc/32/26/05/395322605.db2.gz GDCNIHSUSLLFEC-UHFFFAOYSA-N -1 3 281.268 2.067 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)[N-]OCC1CC1 ZINC000296586025 395322611 /nfs/dbraw/zinc/32/26/11/395322611.db2.gz GDCNIHSUSLLFEC-UHFFFAOYSA-N -1 3 281.268 2.067 20 5 CEBDHM Cc1[nH]nc(C(=O)[N-]c2ncsc2C(C)C)c1[N+](=O)[O-] ZINC000561707736 298678692 /nfs/dbraw/zinc/67/86/92/298678692.db2.gz SCLAWENAVLAMCA-UHFFFAOYSA-N -1 3 295.324 2.459 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000397492193 329357232 /nfs/dbraw/zinc/35/72/32/329357232.db2.gz MQVLUBIEGNQLGY-PWSUYJOCSA-N -1 3 278.308 2.280 20 5 CEBDHM O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cncc([O-])c1 ZINC000732392865 574620009 /nfs/dbraw/zinc/62/00/09/574620009.db2.gz IHFREHATWGWPSB-UHFFFAOYSA-N -1 3 288.259 2.095 20 5 CEBDHM CC(C)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735703982 574764736 /nfs/dbraw/zinc/76/47/36/574764736.db2.gz YKQUBAJVPLYIHM-VIFPVBQESA-N -1 3 290.327 2.479 20 5 CEBDHM CC(C)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735703982 574764738 /nfs/dbraw/zinc/76/47/38/574764738.db2.gz YKQUBAJVPLYIHM-VIFPVBQESA-N -1 3 290.327 2.479 20 5 CEBDHM C[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633522 597470134 /nfs/dbraw/zinc/47/01/34/597470134.db2.gz QRXXPJPPABALIZ-SSDOTTSWSA-N -1 3 272.688 2.153 20 5 CEBDHM C[C@H](N[C@H](CNC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000825472263 603621317 /nfs/dbraw/zinc/62/13/17/603621317.db2.gz GKFGRUUTHYPXRJ-JOYOIKCWSA-N -1 3 293.323 2.292 20 5 CEBDHM C[C@@H](N[C@@H](CNC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000825472264 603621386 /nfs/dbraw/zinc/62/13/86/603621386.db2.gz GKFGRUUTHYPXRJ-SKDRFNHKSA-N -1 3 293.323 2.292 20 5 CEBDHM Cc1c([C@H](C)N[C@H]2CCN(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829860007 604318035 /nfs/dbraw/zinc/31/80/35/604318035.db2.gz SZAKLLUFAJFMJK-QWRGUYRKSA-N -1 3 293.323 2.306 20 5 CEBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ncccc1[O-] ZINC000804679778 622884888 /nfs/dbraw/zinc/88/48/88/622884888.db2.gz IWBZQHHGKZPBAH-UHFFFAOYSA-N -1 3 290.235 2.216 20 5 CEBDHM C[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000896247901 630508011 /nfs/dbraw/zinc/50/80/11/630508011.db2.gz JAWSWEGJGKSVHI-YUMQZZPRSA-N -1 3 269.326 2.391 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627932 635190319 /nfs/dbraw/zinc/19/03/19/635190319.db2.gz UZBOYVGYKZOUKP-LEKOTGGOSA-N -1 3 290.319 2.308 20 5 CEBDHM CCCN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000825323519 635616129 /nfs/dbraw/zinc/61/61/29/635616129.db2.gz XKZNUACOBUDKSA-UHFFFAOYSA-N -1 3 288.311 2.154 20 5 CEBDHM CCCN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000825323519 635616135 /nfs/dbraw/zinc/61/61/35/635616135.db2.gz XKZNUACOBUDKSA-UHFFFAOYSA-N -1 3 288.311 2.154 20 5 CEBDHM O=C([N-][C@@H]1C=CCC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000853825309 643912130 /nfs/dbraw/zinc/91/21/30/643912130.db2.gz IZBCXUDHRXMAJV-SECBINFHSA-N -1 3 298.245 2.401 20 5 CEBDHM O=c1[n-]ccc(N2CCC3(CCCCO3)CC2)c1[N+](=O)[O-] ZINC000882949403 652284953 /nfs/dbraw/zinc/28/49/53/652284953.db2.gz OWCDYGMCSNSTOP-UHFFFAOYSA-N -1 3 293.323 2.235 20 5 CEBDHM NCc1nccnc1[N-]c1ccc2ncccc2c1[N+](=O)[O-] ZINC001171447380 815117571 /nfs/dbraw/zinc/11/75/71/815117571.db2.gz COXQQVRLOLJWIX-UHFFFAOYSA-N -1 3 296.290 2.135 20 5 CEBDHM O=[N+]([O-])c1ccc2c(c1)ncnc2NCc1ncccc1[O-] ZINC001158774808 812990143 /nfs/dbraw/zinc/99/01/43/812990143.db2.gz QMMSUJKMXSSOOT-UHFFFAOYSA-N -1 3 297.274 2.251 20 5 CEBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601284143 346812913 /nfs/dbraw/zinc/81/29/13/346812913.db2.gz HDHURWNPOGMPBA-SSDOTTSWSA-N -1 3 292.382 2.432 20 5 CEBDHM O=C([N-]c1nc2c(s1)CCC2)c1ccc([N+](=O)[O-])o1 ZINC000048675075 343532043 /nfs/dbraw/zinc/53/20/43/343532043.db2.gz KHYKGEUSSUXSPU-UHFFFAOYSA-N -1 3 279.277 2.385 20 5 CEBDHM CC[C@@H]1CN(CC)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449566934 282286383 /nfs/dbraw/zinc/28/63/83/282286383.db2.gz SLYVJHABYHSMFM-CYBMUJFWSA-N -1 3 293.367 2.217 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC=CC2)c1C ZINC000121613847 344303734 /nfs/dbraw/zinc/30/37/34/344303734.db2.gz QQZJTEIMRQWYOC-UHFFFAOYSA-N -1 3 296.348 2.209 20 5 CEBDHM C[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736390 345530105 /nfs/dbraw/zinc/53/01/05/345530105.db2.gz LRASEERIDDEPDQ-VIFPVBQESA-N -1 3 264.281 2.277 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC(C)(C)C1 ZINC000595388147 345772068 /nfs/dbraw/zinc/77/20/68/345772068.db2.gz GNJQPKGRYSJZHP-UHFFFAOYSA-N -1 3 298.364 2.370 20 5 CEBDHM CN(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596055495 345929099 /nfs/dbraw/zinc/92/90/99/345929099.db2.gz URBLNPDMLSOZPB-JTQLQIEISA-N -1 3 292.295 2.003 20 5 CEBDHM O=c1[n-]ccc(N[C@H]2CCCSC2)c1[N+](=O)[O-] ZINC000596152465 345953141 /nfs/dbraw/zinc/95/31/41/345953141.db2.gz YLMGPPXUHKWNTB-ZETCQYMHSA-N -1 3 255.299 2.003 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596161981 345956783 /nfs/dbraw/zinc/95/67/83/345956783.db2.gz HUEJOJQHMATBAS-ZCFIWIBFSA-N -1 3 259.212 2.295 20 5 CEBDHM CC(C)[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596185413 345963166 /nfs/dbraw/zinc/96/31/66/345963166.db2.gz RITGBYZBCCYTNL-MWLCHTKSSA-N -1 3 281.312 2.311 20 5 CEBDHM CCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596084262 345935941 /nfs/dbraw/zinc/93/59/41/345935941.db2.gz YPZCROAKCRWIRH-UHFFFAOYSA-N -1 3 251.286 2.322 20 5 CEBDHM C[C@@H](COCC(F)(F)F)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596091864 345937827 /nfs/dbraw/zinc/93/78/27/345937827.db2.gz GCPREWYVAQKUQV-LURJTMIESA-N -1 3 295.217 2.075 20 5 CEBDHM CSC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC000596136877 345948149 /nfs/dbraw/zinc/94/81/49/345948149.db2.gz GRCFVVOOXHWRJL-UHFFFAOYSA-N -1 3 299.352 2.020 20 5 CEBDHM Cc1cc(N2CCc3c(=O)[n-]cnc3C2)c([N+](=O)[O-])s1 ZINC000596191637 345965279 /nfs/dbraw/zinc/96/52/79/345965279.db2.gz ZYKQHOFHIOOTMS-UHFFFAOYSA-N -1 3 292.320 2.023 20 5 CEBDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596224647 345974522 /nfs/dbraw/zinc/97/45/22/345974522.db2.gz XWTXLEHDCQYMSV-RQJHMYQMSA-N -1 3 291.229 2.473 20 5 CEBDHM CC(C)OCCO[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493243890 290766337 /nfs/dbraw/zinc/76/63/37/290766337.db2.gz YEGYFKINDFAHTC-SREVYHEPSA-N -1 3 294.307 2.081 20 5 CEBDHM CCC(C)(C)OCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596264479 345985269 /nfs/dbraw/zinc/98/52/69/345985269.db2.gz JAZBNYPUJIMXER-UHFFFAOYSA-N -1 3 269.301 2.313 20 5 CEBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(C)C ZINC000596271432 345986807 /nfs/dbraw/zinc/98/68/07/345986807.db2.gz BFHLRUZVMTWADR-VIFPVBQESA-N -1 3 269.301 2.168 20 5 CEBDHM C[C@H]1C[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596193724 345966425 /nfs/dbraw/zinc/96/64/25/345966425.db2.gz NAQKOLZBUDLKQI-UWVGGRQHSA-N -1 3 281.312 2.313 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000596477524 346033201 /nfs/dbraw/zinc/03/32/01/346033201.db2.gz FFXSEBYPDCPXSE-VIFPVBQESA-N -1 3 269.276 2.271 20 5 CEBDHM COCCCn1ccc([N-]c2ccsc2[N+](=O)[O-])n1 ZINC000601118296 346757864 /nfs/dbraw/zinc/75/78/64/346757864.db2.gz CCLBXKRDPUMMQO-UHFFFAOYSA-N -1 3 282.325 2.055 20 5 CEBDHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCC2CC2)c1 ZINC000129922684 365906392 /nfs/dbraw/zinc/90/63/92/365906392.db2.gz UIKSJFUVDGMQCE-UHFFFAOYSA-N -1 3 270.310 2.137 20 5 CEBDHM COC1([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000412027514 233315453 /nfs/dbraw/zinc/31/54/53/233315453.db2.gz VPNXEGNNRKYDKU-SNVBAGLBSA-N -1 3 280.324 2.348 20 5 CEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OC1CCCC1 ZINC000271655880 191263268 /nfs/dbraw/zinc/26/32/68/191263268.db2.gz FUYZYSCWPQBDPQ-UHFFFAOYSA-N -1 3 264.281 2.128 20 5 CEBDHM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451919366 283142772 /nfs/dbraw/zinc/14/27/72/283142772.db2.gz RYNJJLSHSZWGTR-QWRGUYRKSA-N -1 3 298.364 2.165 20 5 CEBDHM C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000578626241 366522836 /nfs/dbraw/zinc/52/28/36/366522836.db2.gz GJBBLZKHIWEMIB-GXFFZTMASA-N -1 3 278.308 2.137 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1NC([O-])=NOC(C)C ZINC000296903956 200030190 /nfs/dbraw/zinc/03/01/90/200030190.db2.gz OOPKJCVNLZMIHV-UHFFFAOYSA-N -1 3 269.257 2.065 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)[N-]OC(C)C ZINC000296903956 200030191 /nfs/dbraw/zinc/03/01/91/200030191.db2.gz OOPKJCVNLZMIHV-UHFFFAOYSA-N -1 3 269.257 2.065 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCCC[C@@H]1CCO ZINC000339166166 366685620 /nfs/dbraw/zinc/68/56/20/366685620.db2.gz CVELXQVGPQKIJA-CYBMUJFWSA-N -1 3 294.351 2.427 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2(C)CCC2)c1[N+](=O)[O-] ZINC000190087138 189553836 /nfs/dbraw/zinc/55/38/36/189553836.db2.gz RJXRUXFBHHHLJL-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104761401 364699145 /nfs/dbraw/zinc/69/91/45/364699145.db2.gz WIJWBNSZXBZBPC-UWVGGRQHSA-N -1 3 284.337 2.062 20 5 CEBDHM CCc1cnc([N-]C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])s1 ZINC000174602825 368045731 /nfs/dbraw/zinc/04/57/31/368045731.db2.gz HUQJXFKLHZJJLI-UHFFFAOYSA-N -1 3 295.324 2.152 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398853 370341049 /nfs/dbraw/zinc/34/10/49/370341049.db2.gz CPQJMOOYAGNRMN-CMPLNLGQSA-N -1 3 278.308 2.452 20 5 CEBDHM CCN1C[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000330452327 377139129 /nfs/dbraw/zinc/13/91/29/377139129.db2.gz KSYZWENKGJKWGL-VXGBXAGGSA-N -1 3 293.367 2.215 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)c1C ZINC000332190830 377538286 /nfs/dbraw/zinc/53/82/86/377538286.db2.gz QNXZEPHUSXSXEB-MWLCHTKSSA-N -1 3 298.364 2.146 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]CC2(C)CCC2)c([N+](=O)[O-])c1 ZINC000332488957 377622348 /nfs/dbraw/zinc/62/23/48/377622348.db2.gz RNQILITYPYXBDJ-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000293744760 377736968 /nfs/dbraw/zinc/73/69/68/377736968.db2.gz ONRPIHYZUITWDD-SNVBAGLBSA-N -1 3 266.297 2.231 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC([O-])=NOC(C)C ZINC000296442705 378533308 /nfs/dbraw/zinc/53/33/08/378533308.db2.gz XROAUQZIEPUHSH-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC(C)C ZINC000296442705 378533312 /nfs/dbraw/zinc/53/33/12/378533312.db2.gz XROAUQZIEPUHSH-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1ncccc1[O-] ZINC000491998942 380413627 /nfs/dbraw/zinc/41/36/27/380413627.db2.gz ITBMXFOXISRFDJ-SREVYHEPSA-N -1 3 299.286 2.025 20 5 CEBDHM O=C([O-])C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000048756061 394527503 /nfs/dbraw/zinc/52/75/03/394527503.db2.gz GOWYVRUOWLZDSB-LLVKDONJSA-N -1 3 264.281 2.034 20 5 CEBDHM CC(C)(O)c1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000291896562 395180170 /nfs/dbraw/zinc/18/01/70/395180170.db2.gz KGJZBCOCBGEQSO-UHFFFAOYSA-N -1 3 297.292 2.124 20 5 CEBDHM Cc1cccc2c1CCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188315210 395315037 /nfs/dbraw/zinc/31/50/37/395315037.db2.gz CQFKLXQKGHENMQ-UHFFFAOYSA-N -1 3 299.286 2.207 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(Cc2ccccn2)c1 ZINC000194977374 395455352 /nfs/dbraw/zinc/45/53/52/395455352.db2.gz COPQQVJIANUAFN-UHFFFAOYSA-N -1 3 296.290 2.373 20 5 CEBDHM COc1cc(CNc2ncccc2F)c([N+](=O)[O-])cc1[O-] ZINC000195313250 153282547 /nfs/dbraw/zinc/28/25/47/153282547.db2.gz OFPLIDZAQCOGAC-UHFFFAOYSA-N -1 3 293.254 2.455 20 5 CEBDHM O=[N+]([O-])c1ccccc1NCc1nnc(C(F)(F)F)[n-]1 ZINC000359708622 155118861 /nfs/dbraw/zinc/11/88/61/155118861.db2.gz VUNSFDKACCXXPX-UHFFFAOYSA-N -1 3 287.201 2.344 20 5 CEBDHM O=[N+]([O-])c1ccccc1NCc1n[n-]c(C(F)(F)F)n1 ZINC000359708622 155118863 /nfs/dbraw/zinc/11/88/63/155118863.db2.gz VUNSFDKACCXXPX-UHFFFAOYSA-N -1 3 287.201 2.344 20 5 CEBDHM O=[N+]([O-])c1ccccc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000359708622 155118864 /nfs/dbraw/zinc/11/88/64/155118864.db2.gz VUNSFDKACCXXPX-UHFFFAOYSA-N -1 3 287.201 2.344 20 5 CEBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000132017923 296735302 /nfs/dbraw/zinc/73/53/02/296735302.db2.gz VQFBLEMAEWUKNW-ZJUUUORDSA-N -1 3 284.337 2.062 20 5 CEBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c([O-])c1 ZINC000040421393 174257929 /nfs/dbraw/zinc/25/79/29/174257929.db2.gz XDLKBANYKVKHPV-UHFFFAOYSA-N -1 3 275.264 2.200 20 5 CEBDHM CC(C)C[C@@H](CNCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263094432 277440809 /nfs/dbraw/zinc/44/08/09/277440809.db2.gz VBJQHGMPKDPCGK-LBPRGKRZSA-N -1 3 280.324 2.431 20 5 CEBDHM C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736264332 574780649 /nfs/dbraw/zinc/78/06/49/574780649.db2.gz VTMCNYPALVXELX-KWQFWETISA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736264332 574780650 /nfs/dbraw/zinc/78/06/50/574780650.db2.gz VTMCNYPALVXELX-KWQFWETISA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H](CC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000738891612 574884146 /nfs/dbraw/zinc/88/41/46/574884146.db2.gz PYXQCWZULVIPQI-SSDOTTSWSA-N -1 3 272.688 2.201 20 5 CEBDHM Cc1ccc(CN[C@H](CNC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000740130812 574944584 /nfs/dbraw/zinc/94/45/84/574944584.db2.gz WFYTVWUDFXVVRJ-GFCCVEGCSA-N -1 3 293.323 2.039 20 5 CEBDHM O=c1[n-]c(Oc2cccnc2[N+](=O)[O-])nc2ccccc21 ZINC000750530738 575267859 /nfs/dbraw/zinc/26/78/59/575267859.db2.gz RKGQRHKISHKZAY-UHFFFAOYSA-N -1 3 284.231 2.431 20 5 CEBDHM C[C@](NCc1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])C1CC1 ZINC000827735501 601040283 /nfs/dbraw/zinc/04/02/83/601040283.db2.gz WFHJZZVKLHUINF-CYBMUJFWSA-N -1 3 282.271 2.077 20 5 CEBDHM C[C@H](CN(C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633513 601114196 /nfs/dbraw/zinc/11/41/96/601114196.db2.gz WEQUFSIYDCSMLW-MRVPVSSYSA-N -1 3 286.715 2.401 20 5 CEBDHM Cc1ccc([C@H](C)N[C@@H]2CCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830257448 604316630 /nfs/dbraw/zinc/31/66/30/604316630.db2.gz UOZOHIPYVMAHML-CMPLNLGQSA-N -1 3 293.323 2.306 20 5 CEBDHM CC(C)(CC(=O)[O-])NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000826542440 604442525 /nfs/dbraw/zinc/44/25/25/604442525.db2.gz WBNZZWNCUBVBQW-UHFFFAOYSA-N -1 3 293.279 2.079 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN(C)C(=O)[O-] ZINC000830427695 604953939 /nfs/dbraw/zinc/95/39/39/604953939.db2.gz MUTCIAHYJYMXJL-JTQLQIEISA-N -1 3 281.312 2.164 20 5 CEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C ZINC000820726851 606423619 /nfs/dbraw/zinc/42/36/19/606423619.db2.gz BXTKUDMXPBPRIF-RKDXNWHRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1C ZINC000820726851 606423621 /nfs/dbraw/zinc/42/36/21/606423621.db2.gz BXTKUDMXPBPRIF-RKDXNWHRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000820709820 634509745 /nfs/dbraw/zinc/50/97/45/634509745.db2.gz MFRHXIDLQZUNLU-VIFPVBQESA-N -1 3 288.311 2.011 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000903409304 635103482 /nfs/dbraw/zinc/10/34/82/635103482.db2.gz VKXZWHRXBOKWKM-SCVCMEIPSA-N -1 3 293.323 2.063 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823634214 635238042 /nfs/dbraw/zinc/23/80/42/635238042.db2.gz DLTMMPMHCDLUOE-SNAWJCMRSA-N -1 3 294.274 2.340 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823634214 635238051 /nfs/dbraw/zinc/23/80/51/635238051.db2.gz DLTMMPMHCDLUOE-SNAWJCMRSA-N -1 3 294.274 2.340 20 5 CEBDHM CC(C)(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000087625938 639694942 /nfs/dbraw/zinc/69/49/42/639694942.db2.gz CWVMVHYVJFMRAC-UHFFFAOYSA-N -1 3 272.688 2.201 20 5 CEBDHM C[C@]1(C(=O)[O-])CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000079487167 642927592 /nfs/dbraw/zinc/92/75/92/642927592.db2.gz PQGJSOIUVHTTSR-CYBMUJFWSA-N -1 3 282.271 2.173 20 5 CEBDHM O=C([N-]c1cnsn1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001128701060 809365829 /nfs/dbraw/zinc/36/58/29/809365829.db2.gz MTBICHQZYLMZFV-UHFFFAOYSA-N -1 3 290.260 2.445 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CCC3(CCC3)O2)c1[N+](=O)[O-] ZINC000711483375 810077465 /nfs/dbraw/zinc/07/74/65/810077465.db2.gz XMXJYDFXHCQFPG-SECBINFHSA-N -1 3 279.296 2.209 20 5 CEBDHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1[N+](=O)[O-] ZINC001176359736 816401351 /nfs/dbraw/zinc/40/13/51/816401351.db2.gz HVEXXOQFJVYQET-UHFFFAOYSA-N -1 3 276.252 2.151 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C)c([N+](=O)[O-])s1 ZINC000601280976 346811953 /nfs/dbraw/zinc/81/19/53/346811953.db2.gz KCGQVXVMOCUICX-UHFFFAOYSA-N -1 3 278.355 2.042 20 5 CEBDHM Cc1cc(S(=O)(=O)[N-]CC2(C)CC2)c([N+](=O)[O-])s1 ZINC000601364117 346827461 /nfs/dbraw/zinc/82/74/61/346827461.db2.gz DDGFUPIBPZLRMJ-UHFFFAOYSA-N -1 3 290.366 2.043 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000337936159 214319445 /nfs/dbraw/zinc/31/94/45/214319445.db2.gz LNSSUKOXIDFAJV-UHFFFAOYSA-N -1 3 286.353 2.228 20 5 CEBDHM O=C([O-])C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000042295050 362078490 /nfs/dbraw/zinc/07/84/90/362078490.db2.gz OZPKZOYCQRIHLX-LBPRGKRZSA-N -1 3 264.281 2.034 20 5 CEBDHM CCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000028812903 343397556 /nfs/dbraw/zinc/39/75/56/343397556.db2.gz GGOXESTUGKFLTF-UHFFFAOYSA-N -1 3 287.275 2.098 20 5 CEBDHM O=C([O-])C12CCC(CC1)N2Cc1cccc([N+](=O)[O-])c1 ZINC000601965759 346945346 /nfs/dbraw/zinc/94/53/46/346945346.db2.gz YSHWIQZJGBZHIH-UHFFFAOYSA-N -1 3 276.292 2.176 20 5 CEBDHM CCc1ocnc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1OC ZINC000351337007 219092642 /nfs/dbraw/zinc/09/26/42/219092642.db2.gz IOWXESYEAKJJGC-UHFFFAOYSA-N -1 3 291.263 2.406 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CCCC1 ZINC000049001872 362321456 /nfs/dbraw/zinc/32/14/56/362321456.db2.gz WSIUWYQOQLULJT-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000093503308 344226011 /nfs/dbraw/zinc/22/60/11/344226011.db2.gz NZWUTQVZVJSDAP-UWVGGRQHSA-N -1 3 250.298 2.388 20 5 CEBDHM O=C(NCc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000133166317 344367704 /nfs/dbraw/zinc/36/77/04/344367704.db2.gz KEOZNCXTNHKRNC-UHFFFAOYSA-N -1 3 290.250 2.370 20 5 CEBDHM CCO[C@@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000449758547 282357305 /nfs/dbraw/zinc/35/73/05/282357305.db2.gz VSOFDTBJDFNSCT-TZMCWYRMSA-N -1 3 280.324 2.348 20 5 CEBDHM O=C([O-])C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054299730 362523734 /nfs/dbraw/zinc/52/37/34/362523734.db2.gz KYDHUPDTRSAHOJ-GFCCVEGCSA-N -1 3 278.308 2.282 20 5 CEBDHM CCC[C@H](C(=O)[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593736309 345529570 /nfs/dbraw/zinc/52/95/70/345529570.db2.gz BIMMDJIQPBBMSW-CYBMUJFWSA-N -1 3 278.308 2.206 20 5 CEBDHM CCCc1coc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000594060654 345576272 /nfs/dbraw/zinc/57/62/72/345576272.db2.gz ZOZFWFVZNHWJFT-UHFFFAOYSA-N -1 3 276.252 2.183 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000593644791 345516008 /nfs/dbraw/zinc/51/60/08/345516008.db2.gz SHAVEVGFLOHHBA-UHFFFAOYSA-N -1 3 296.348 2.206 20 5 CEBDHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595362516 345769273 /nfs/dbraw/zinc/76/92/73/345769273.db2.gz ZPNHZGFVAMCNEG-LBPRGKRZSA-N -1 3 284.337 2.062 20 5 CEBDHM CN(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596055496 345928993 /nfs/dbraw/zinc/92/89/93/345928993.db2.gz URBLNPDMLSOZPB-SNVBAGLBSA-N -1 3 292.295 2.003 20 5 CEBDHM CC(C)(C)OC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596157966 345955148 /nfs/dbraw/zinc/95/51/48/345955148.db2.gz KYRLISFALNOCNF-UHFFFAOYSA-N -1 3 295.339 2.479 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c1[N+](=O)[O-] ZINC000596162066 345956677 /nfs/dbraw/zinc/95/66/77/345956677.db2.gz YAIMFWHGKCCDLH-IQJOONFLSA-N -1 3 279.296 2.065 20 5 CEBDHM CC[C@@H](C)n1nc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000596184835 345963253 /nfs/dbraw/zinc/96/32/53/345963253.db2.gz KQTHYQLEHXPCQF-MRVPVSSYSA-N -1 3 291.311 2.337 20 5 CEBDHM C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596095498 345938806 /nfs/dbraw/zinc/93/88/06/345938806.db2.gz PPVYBTZVXXTVKT-SECBINFHSA-N -1 3 251.286 2.322 20 5 CEBDHM CC(C)c1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])on1 ZINC000596127881 345946385 /nfs/dbraw/zinc/94/63/85/345946385.db2.gz FICJVYSQDWWBBF-UHFFFAOYSA-N -1 3 278.268 2.419 20 5 CEBDHM Cc1noc(C)c1C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596134697 345947641 /nfs/dbraw/zinc/94/76/41/345947641.db2.gz OQFQHJISEMLNHU-ZETCQYMHSA-N -1 3 292.295 2.343 20 5 CEBDHM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596224645 345974674 /nfs/dbraw/zinc/97/46/74/345974674.db2.gz XWTXLEHDCQYMSV-NKWVEPMBSA-N -1 3 291.229 2.473 20 5 CEBDHM CC[C@H](C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596251187 345980916 /nfs/dbraw/zinc/98/09/16/345980916.db2.gz ZZJTUUWHOXHVOE-WCBMZHEXSA-N -1 3 269.301 2.168 20 5 CEBDHM C[C@H]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596478193 346033758 /nfs/dbraw/zinc/03/37/58/346033758.db2.gz PSMTWCZIGWCZFZ-DTWKUNHWSA-N -1 3 267.285 2.065 20 5 CEBDHM CC1(C)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000610787943 347715022 /nfs/dbraw/zinc/71/50/22/347715022.db2.gz RJNRHXSITFIJCG-YUTCNCBUSA-N -1 3 292.335 2.204 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000292356487 198257684 /nfs/dbraw/zinc/25/76/84/198257684.db2.gz XRPVIOFVLSUMLU-LLVKDONJSA-N -1 3 296.323 2.458 20 5 CEBDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000132018579 366109969 /nfs/dbraw/zinc/10/99/69/366109969.db2.gz VQFBLEMAEWUKNW-VHSXEESVSA-N -1 3 284.337 2.062 20 5 CEBDHM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000451686720 283073276 /nfs/dbraw/zinc/07/32/76/283073276.db2.gz GZQKXFPOMXHAKP-UHFFFAOYSA-N -1 3 290.366 2.186 20 5 CEBDHM CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)(C)O ZINC000338962794 366593027 /nfs/dbraw/zinc/59/30/27/366593027.db2.gz HEYZUPSIPYHLTG-UHFFFAOYSA-N -1 3 282.340 2.283 20 5 CEBDHM CCC[C@@H](CNCc1cc(OC)c([O-])cc1[N+](=O)[O-])OC ZINC000295163764 283522682 /nfs/dbraw/zinc/52/26/82/283522682.db2.gz SNRFIKICFWRZDX-NSHDSACASA-N -1 3 298.339 2.214 20 5 CEBDHM CCC(C)(C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000101568375 364561890 /nfs/dbraw/zinc/56/18/90/364561890.db2.gz PNDNNSOYLBROKN-UHFFFAOYSA-N -1 3 286.353 2.370 20 5 CEBDHM COCc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2C)no1 ZINC000173019254 367860124 /nfs/dbraw/zinc/86/01/24/367860124.db2.gz LLMLUDKPBQHITK-UHFFFAOYSA-N -1 3 291.263 2.290 20 5 CEBDHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000346015659 368517325 /nfs/dbraw/zinc/51/73/25/368517325.db2.gz OLMZSNQDDCCZQU-SNVBAGLBSA-N -1 3 298.364 2.452 20 5 CEBDHM C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000235671316 370572288 /nfs/dbraw/zinc/57/22/88/370572288.db2.gz RGXSNJSRUCTUJD-GWCFXTLKSA-N -1 3 278.308 2.280 20 5 CEBDHM C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262755880 371906213 /nfs/dbraw/zinc/90/62/13/371906213.db2.gz HRJXECOQKADNFG-VIFPVBQESA-N -1 3 264.281 2.032 20 5 CEBDHM O=C(Nc1ccccn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000044653027 284374040 /nfs/dbraw/zinc/37/40/40/284374040.db2.gz ACMJYGGDFMJJGS-UHFFFAOYSA-N -1 3 283.247 2.118 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)cc1C ZINC000332156144 377529037 /nfs/dbraw/zinc/52/90/37/377529037.db2.gz PPHDQPJFWHUFHE-MNOVXSKESA-N -1 3 298.364 2.146 20 5 CEBDHM Cc1c([N-]c2ncccc2[N+](=O)[O-])cnn1[C@@H]1CCOC1 ZINC000450799682 378584872 /nfs/dbraw/zinc/58/48/72/378584872.db2.gz XADNOTCJLRNRQZ-SNVBAGLBSA-N -1 3 289.295 2.200 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC([O-])=NOC(C)(C)CO ZINC000296555206 378572934 /nfs/dbraw/zinc/57/29/34/378572934.db2.gz HHEGNELLYGVXAG-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[N-]OC(C)(C)CO ZINC000296555206 378572939 /nfs/dbraw/zinc/57/29/39/378572939.db2.gz HHEGNELLYGVXAG-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048660213 394520329 /nfs/dbraw/zinc/52/03/29/394520329.db2.gz BSTAHFJCRMAGOF-UHFFFAOYSA-N -1 3 292.744 2.327 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C2CC2)cc1C ZINC000048840425 394532941 /nfs/dbraw/zinc/53/29/41/394532941.db2.gz KKVFAAPNBKTPMF-SNVBAGLBSA-N -1 3 298.364 2.288 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ocnc1C ZINC000356822790 394623656 /nfs/dbraw/zinc/62/36/56/394623656.db2.gz OQWHPSZOEBLUMS-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC000565487149 395473169 /nfs/dbraw/zinc/47/31/69/395473169.db2.gz UQJHSAYMFPUEKA-YGRLFVJLSA-N -1 3 278.308 2.137 20 5 CEBDHM Cc1cc(NC2CCN(C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566295395 395510861 /nfs/dbraw/zinc/51/08/61/395510861.db2.gz WSRDAJKVRQYDCP-UHFFFAOYSA-N -1 3 293.323 2.108 20 5 CEBDHM COc1cc(C(=O)[N-]c2nncs2)cc([N+](=O)[O-])c1C ZINC000188970153 153074653 /nfs/dbraw/zinc/07/46/53/153074653.db2.gz ODAJXCAARMIXOL-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM Cc1sc(C(=O)[N-]c2cnns2)cc1[N+](=O)[O-] ZINC000189579505 280152845 /nfs/dbraw/zinc/15/28/45/280152845.db2.gz ZVJMATRDWTVQKW-UHFFFAOYSA-N -1 3 270.295 2.069 20 5 CEBDHM COc1ccc([N-]C(=O)c2ocnc2C)c([N+](=O)[O-])c1 ZINC000356766395 534179346 /nfs/dbraw/zinc/17/93/46/534179346.db2.gz RWYHQYHAGWYJDS-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM CN(Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000061173641 523179746 /nfs/dbraw/zinc/17/97/46/523179746.db2.gz DSQRVNBGXQEQFO-UHFFFAOYSA-N -1 3 270.260 2.029 20 5 CEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC000820726850 606423207 /nfs/dbraw/zinc/42/32/07/606423207.db2.gz BXTKUDMXPBPRIF-IUCAKERBSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC000820726850 606423209 /nfs/dbraw/zinc/42/32/09/606423209.db2.gz BXTKUDMXPBPRIF-IUCAKERBSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC000820726834 606423581 /nfs/dbraw/zinc/42/35/81/606423581.db2.gz BXTKUDMXPBPRIF-BDAKNGLRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC000820726834 606423583 /nfs/dbraw/zinc/42/35/83/606423583.db2.gz BXTKUDMXPBPRIF-BDAKNGLRSA-N -1 3 288.311 2.010 20 5 CEBDHM CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820989607 606726523 /nfs/dbraw/zinc/72/65/23/606726523.db2.gz XELBBVRMDVHSKL-SECBINFHSA-N -1 3 288.311 2.011 20 5 CEBDHM CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820989607 606726525 /nfs/dbraw/zinc/72/65/25/606726525.db2.gz XELBBVRMDVHSKL-SECBINFHSA-N -1 3 288.311 2.011 20 5 CEBDHM Cc1nc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000822454317 607161559 /nfs/dbraw/zinc/16/15/59/607161559.db2.gz VJQZTAGNQKLIJJ-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1nc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000822454317 607161561 /nfs/dbraw/zinc/16/15/61/607161561.db2.gz VJQZTAGNQKLIJJ-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM O=c1cc([C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894378432 629409936 /nfs/dbraw/zinc/40/99/36/629409936.db2.gz YLOIHYYNWWMQNH-QMMMGPOBSA-N -1 3 292.270 2.157 20 5 CEBDHM O=C([O-])CC1(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000901479991 634127409 /nfs/dbraw/zinc/12/74/09/634127409.db2.gz LSIFSJYXGRJNPQ-UHFFFAOYSA-N -1 3 284.699 2.345 20 5 CEBDHM CC(C)CO[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000759664165 645058965 /nfs/dbraw/zinc/05/89/65/645058965.db2.gz PWRWOBFQMABRIO-UHFFFAOYSA-N -1 3 291.307 2.322 20 5 CEBDHM O=C(Cc1cccc(F)c1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000868553704 648168434 /nfs/dbraw/zinc/16/84/34/648168434.db2.gz LGSWQVJPJVXHMA-UHFFFAOYSA-N -1 3 282.271 2.124 20 5 CEBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033619 362172710 /nfs/dbraw/zinc/17/27/10/362172710.db2.gz BEDKFBGMUSVQLM-SNVBAGLBSA-N -1 3 286.353 2.370 20 5 CEBDHM CCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048664461 343531776 /nfs/dbraw/zinc/53/17/76/343531776.db2.gz VPPYFRDFIBJPGI-QMMMGPOBSA-N -1 3 290.316 2.201 20 5 CEBDHM O=C([O-])[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000602067387 346968159 /nfs/dbraw/zinc/96/81/59/346968159.db2.gz RAQVMIXFRGZPAM-YIALFULDSA-N -1 3 290.319 2.405 20 5 CEBDHM Cc1ncccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000073356003 343828106 /nfs/dbraw/zinc/82/81/06/343828106.db2.gz SEVNPJGFMZRLTA-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM CC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1O ZINC000588864704 345058184 /nfs/dbraw/zinc/05/81/84/345058184.db2.gz CSMYEIVJNPJUQL-UHFFFAOYSA-N -1 3 290.231 2.348 20 5 CEBDHM CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1[O-] ZINC000588864704 345058186 /nfs/dbraw/zinc/05/81/86/345058186.db2.gz CSMYEIVJNPJUQL-UHFFFAOYSA-N -1 3 290.231 2.348 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000593290373 345462916 /nfs/dbraw/zinc/46/29/16/345462916.db2.gz HMCWPVKRLXIEJG-CABZTGNLSA-N -1 3 294.307 2.041 20 5 CEBDHM CC(C)OCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596189211 345964577 /nfs/dbraw/zinc/96/45/77/345964577.db2.gz FEYIKEVXLNBCGA-UHFFFAOYSA-N -1 3 269.301 2.313 20 5 CEBDHM CN(C[C@H]1CC=CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596190956 345965259 /nfs/dbraw/zinc/96/52/59/345965259.db2.gz CDWKKFJWDIEFNJ-JTQLQIEISA-N -1 3 263.297 2.488 20 5 CEBDHM CC1(C)SC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596203657 345968226 /nfs/dbraw/zinc/96/82/26/345968226.db2.gz JJPMIVUAGPEDDQ-SSDOTTSWSA-N -1 3 255.299 2.001 20 5 CEBDHM CCn1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596208339 345969881 /nfs/dbraw/zinc/96/98/81/345969881.db2.gz TWRDZGQIZXVVQB-UHFFFAOYSA-N -1 3 276.296 2.153 20 5 CEBDHM C[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])c2nccn21 ZINC000596257861 345982968 /nfs/dbraw/zinc/98/29/68/345982968.db2.gz RZUICHLWOXJKHX-CBAPKCEASA-N -1 3 275.268 2.010 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000596286491 345991835 /nfs/dbraw/zinc/99/18/35/345991835.db2.gz LFCBNHHPGGJYOV-NSHDSACASA-N -1 3 286.291 2.084 20 5 CEBDHM CC(C)O[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596290479 345992488 /nfs/dbraw/zinc/99/24/88/345992488.db2.gz OKBMCVVUONUBOL-JTQLQIEISA-N -1 3 281.312 2.089 20 5 CEBDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000599000365 346444828 /nfs/dbraw/zinc/44/48/28/346444828.db2.gz SFGBNBZZARGAEO-LFNDISMMSA-N -1 3 280.324 2.202 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000600800249 346692101 /nfs/dbraw/zinc/69/21/01/346692101.db2.gz JYZMQCJMGPSUDR-SMDDNHRTSA-N -1 3 292.335 2.446 20 5 CEBDHM O=[N+]([O-])c1cnc([N-]c2cnn3c2CCCC3)s1 ZINC000601232871 346797523 /nfs/dbraw/zinc/79/75/23/346797523.db2.gz VGWYVJHDBUMVJL-UHFFFAOYSA-N -1 3 265.298 2.328 20 5 CEBDHM CC(C)OCCO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493488999 290833255 /nfs/dbraw/zinc/83/32/55/290833255.db2.gz PEFXPKBZCATILG-FPLPWBNLSA-N -1 3 294.307 2.081 20 5 CEBDHM Cc1nn(C)c(Sc2cccc([O-])c2)c1[N+](=O)[O-] ZINC000130427086 365955627 /nfs/dbraw/zinc/95/56/27/365955627.db2.gz KWYIXKLULAVBLO-UHFFFAOYSA-N -1 3 265.294 2.494 20 5 CEBDHM Cc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1[C@@H]1CCOC1 ZINC000450798768 282776495 /nfs/dbraw/zinc/77/64/95/282776495.db2.gz VPZAVJVONXXYRD-MRVPVSSYSA-N -1 3 295.324 2.261 20 5 CEBDHM CC/C=C\C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451782814 283103997 /nfs/dbraw/zinc/10/39/97/283103997.db2.gz ZFNIPCCRYJWONX-PLNGDYQASA-N -1 3 290.366 2.209 20 5 CEBDHM CCc1[n-][nH]c(=NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000340859351 367062601 /nfs/dbraw/zinc/06/26/01/367062601.db2.gz MCVMPZQRJUSGCV-UHFFFAOYSA-N -1 3 292.270 2.002 20 5 CEBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1F ZINC000193546369 369953732 /nfs/dbraw/zinc/95/37/32/369953732.db2.gz YMGISSRVLGWOSK-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM C[C@@H](CC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000362347575 372324645 /nfs/dbraw/zinc/32/46/45/372324645.db2.gz XHDCNZQPEVGTFV-ZETCQYMHSA-N -1 3 272.688 2.201 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000293775437 377750531 /nfs/dbraw/zinc/75/05/31/377750531.db2.gz RDZDGXJVQJGXSH-MRVPVSSYSA-N -1 3 284.316 2.149 20 5 CEBDHM CCCO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493196263 380843280 /nfs/dbraw/zinc/84/32/80/380843280.db2.gz JSRYMWVJHIKVCP-XQRVVYSFSA-N -1 3 268.244 2.205 20 5 CEBDHM CN(C)CCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000412998858 394456082 /nfs/dbraw/zinc/45/60/82/394456082.db2.gz KQBGCMVSGVHXCK-UHFFFAOYSA-N -1 3 256.327 2.095 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(F)c2F)n1 ZINC000427609992 395124985 /nfs/dbraw/zinc/12/49/85/395124985.db2.gz RYNVBZAWFBHPMU-UHFFFAOYSA-N -1 3 296.233 2.342 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CNCc1ncccc1[O-] ZINC000355276744 395392711 /nfs/dbraw/zinc/39/27/11/395392711.db2.gz HALUETAYUQQCBI-UHFFFAOYSA-N -1 3 273.292 2.294 20 5 CEBDHM CO[C@H]1C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000344695917 286111302 /nfs/dbraw/zinc/11/13/02/286111302.db2.gz MZGASHCCLHKELN-STQMWFEESA-N -1 3 280.324 2.204 20 5 CEBDHM O=C([N-]c1ccsc1Cl)c1c[nH]nc1[N+](=O)[O-] ZINC000555330961 298527617 /nfs/dbraw/zinc/52/76/17/298527617.db2.gz YVWYAMYFAGTZFU-UHFFFAOYSA-N -1 3 272.673 2.285 20 5 CEBDHM CC(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044759882 175245852 /nfs/dbraw/zinc/24/58/52/175245852.db2.gz ZOJWZLJTCDXUFH-UHFFFAOYSA-N -1 3 292.744 2.183 20 5 CEBDHM CCOC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000339183337 270337270 /nfs/dbraw/zinc/33/72/70/270337270.db2.gz DHVYIMAODNTVTO-CYBMUJFWSA-N -1 3 282.340 2.451 20 5 CEBDHM O=C([O-])CCCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000426672236 271228967 /nfs/dbraw/zinc/22/89/67/271228967.db2.gz QEMLDWTWWKJVHY-UHFFFAOYSA-N -1 3 284.287 2.469 20 5 CEBDHM Cc1nc(C)c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000340814900 293241529 /nfs/dbraw/zinc/24/15/29/293241529.db2.gz IZJVDDFJKQZZFU-UHFFFAOYSA-N -1 3 294.292 2.021 20 5 CEBDHM CN[C@@H](CC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000387700064 321880072 /nfs/dbraw/zinc/88/00/72/321880072.db2.gz WZYQUAOGYXOVSX-NSHDSACASA-N -1 3 295.339 2.263 20 5 CEBDHM Cc1cc(F)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193737612 533838726 /nfs/dbraw/zinc/83/87/26/533838726.db2.gz SIQOWKBAWRVUBS-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM CC[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736323080 574782777 /nfs/dbraw/zinc/78/27/77/574782777.db2.gz TYLJWPKVZNONAZ-VIFPVBQESA-N -1 3 290.327 2.257 20 5 CEBDHM CC[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736323080 574782778 /nfs/dbraw/zinc/78/27/78/574782778.db2.gz TYLJWPKVZNONAZ-VIFPVBQESA-N -1 3 290.327 2.257 20 5 CEBDHM CN(C)CCSc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830613654 601611672 /nfs/dbraw/zinc/61/16/72/601611672.db2.gz DUWUAYFFGQRKJZ-GQCTYLIASA-N -1 3 296.348 2.346 20 5 CEBDHM C[C@H]1CNc2c([N-]c3ncc([N+](=O)[O-])cc3F)cnn2C1 ZINC000894948159 629762083 /nfs/dbraw/zinc/76/20/83/629762083.db2.gz KRJZSHNHWFVQLW-ZETCQYMHSA-N -1 3 292.274 2.131 20 5 CEBDHM CC(C)(CCC(=O)Nc1cccc([O-])c1F)[N+](=O)[O-] ZINC000827973729 636475503 /nfs/dbraw/zinc/47/55/03/636475503.db2.gz LUQCOMAAYIDANZ-UHFFFAOYSA-N -1 3 270.260 2.305 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OC2CCC2)c1 ZINC000836798365 638707959 /nfs/dbraw/zinc/70/79/59/638707959.db2.gz OGVSYCUGTLTKKX-UHFFFAOYSA-N -1 3 294.307 2.272 20 5 CEBDHM CC(=O)c1cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1[O-] ZINC000843890866 640550803 /nfs/dbraw/zinc/55/08/03/640550803.db2.gz VFDNVCDJHKVANT-UHFFFAOYSA-N -1 3 294.307 2.369 20 5 CEBDHM O=C([N-]Oc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000773465806 646742790 /nfs/dbraw/zinc/74/27/90/646742790.db2.gz IRYCOFXZDGXVSR-UHFFFAOYSA-N -1 3 276.223 2.458 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000882855479 652236412 /nfs/dbraw/zinc/23/64/12/652236412.db2.gz LLPHLHZUDMLWJN-MRVPVSSYSA-N -1 3 292.320 2.146 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000884660036 652965222 /nfs/dbraw/zinc/96/52/22/652965222.db2.gz JNHSKCSRZKDYMX-VIFPVBQESA-N -1 3 279.296 2.067 20 5 CEBDHM C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000300293831 802836107 /nfs/dbraw/zinc/83/61/07/802836107.db2.gz HLKHQKXVOKHCSP-NOZJJQNGSA-N -1 3 296.298 2.419 20 5 CEBDHM O=C(/C=C\c1cncc([O-])c1)NCc1cccc([N+](=O)[O-])c1 ZINC000492440599 290614501 /nfs/dbraw/zinc/61/45/01/290614501.db2.gz MLCANUFKTWLFPG-PLNGDYQASA-N -1 3 299.286 2.025 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000602066330 346968142 /nfs/dbraw/zinc/96/81/42/346968142.db2.gz MMPRVQZPENDPTR-LBPRGKRZSA-N -1 3 278.308 2.200 20 5 CEBDHM CC1(C)C[C@H](O)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000449616265 282305276 /nfs/dbraw/zinc/30/52/76/282305276.db2.gz CLUKBXXSGQPIPE-CYBMUJFWSA-N -1 3 294.351 2.283 20 5 CEBDHM O=[N+]([O-])c1ccc(NCc2ccc([O-])c(F)c2)nc1 ZINC000078020234 343938876 /nfs/dbraw/zinc/93/88/76/343938876.db2.gz QVPPGVKENFXBOH-UHFFFAOYSA-N -1 3 263.228 2.447 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OC/C=C\Cl ZINC000493123118 290734937 /nfs/dbraw/zinc/73/49/37/290734937.db2.gz UNODAZBCZJHAJH-XGECGVFOSA-N -1 3 282.683 2.408 20 5 CEBDHM CN(CCN1CCCCC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593113283 345441719 /nfs/dbraw/zinc/44/17/19/345441719.db2.gz YAZBYGHSCJBKOD-UHFFFAOYSA-N -1 3 293.367 2.218 20 5 CEBDHM O=C([O-])CCN(Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000593744884 345531397 /nfs/dbraw/zinc/53/13/97/345531397.db2.gz UIFNDUFDHDQXTH-UHFFFAOYSA-N -1 3 278.308 2.282 20 5 CEBDHM COc1cc(CN(CCC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000593747166 345532043 /nfs/dbraw/zinc/53/20/43/345532043.db2.gz USEWECKZUWGKHI-UHFFFAOYSA-N -1 3 296.323 2.289 20 5 CEBDHM COCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596160642 345956377 /nfs/dbraw/zinc/95/63/77/345956377.db2.gz RQARZQSKOXRREL-UHFFFAOYSA-N -1 3 281.312 2.314 20 5 CEBDHM O=c1[n-]ccc(NCCC[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000596167515 345958165 /nfs/dbraw/zinc/95/81/65/345958165.db2.gz IQOQVVBTCJAZNO-PWSUYJOCSA-N -1 3 295.339 2.439 20 5 CEBDHM O=c1[n-]ccc(Nc2cnn(CC3CC3)c2)c1[N+](=O)[O-] ZINC000596144572 345951248 /nfs/dbraw/zinc/95/12/48/345951248.db2.gz JBKXYEVQYIBZTN-UHFFFAOYSA-N -1 3 275.268 2.046 20 5 CEBDHM CC(C)(C)OC(=O)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596197869 345967096 /nfs/dbraw/zinc/96/70/96/345967096.db2.gz YLEAPZPUGACSNE-UHFFFAOYSA-N -1 3 286.309 2.129 20 5 CEBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000596198392 345967137 /nfs/dbraw/zinc/96/71/37/345967137.db2.gz ZYZSICVZJLWNAA-TZMCWYRMSA-N -1 3 293.323 2.313 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000596220290 345973430 /nfs/dbraw/zinc/97/34/30/345973430.db2.gz YJSBJGFWULNRHY-MWLCHTKSSA-N -1 3 279.296 2.065 20 5 CEBDHM CSC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596242492 345978343 /nfs/dbraw/zinc/97/83/43/345978343.db2.gz SDJBYJPDGIGDMF-VIFPVBQESA-N -1 3 283.353 2.275 20 5 CEBDHM O=c1[n-]ccc(NCCC2(F)CCC2)c1[N+](=O)[O-] ZINC000596245468 345979577 /nfs/dbraw/zinc/97/95/77/345979577.db2.gz ZJTJABIKHYUTKS-UHFFFAOYSA-N -1 3 255.249 2.390 20 5 CEBDHM CO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000596271673 345987404 /nfs/dbraw/zinc/98/74/04/345987404.db2.gz SDWUCWNZIUHCKE-VHSXEESVSA-N -1 3 279.296 2.065 20 5 CEBDHM C[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CS1 ZINC000596273167 345988406 /nfs/dbraw/zinc/98/84/06/345988406.db2.gz OHXQKAAHFYZSHB-RQJHMYQMSA-N -1 3 255.299 2.001 20 5 CEBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1(F)F ZINC000596476029 346032521 /nfs/dbraw/zinc/03/25/21/346032521.db2.gz GFIAEIMLJAFGJB-VIFPVBQESA-N -1 3 259.212 2.153 20 5 CEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccsc1 ZINC000351675693 219172030 /nfs/dbraw/zinc/17/20/30/219172030.db2.gz VXSCWSJPNJRBFA-UHFFFAOYSA-N -1 3 298.345 2.135 20 5 CEBDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000599000366 346444969 /nfs/dbraw/zinc/44/49/69/346444969.db2.gz SFGBNBZZARGAEO-PUXPGTEJSA-N -1 3 280.324 2.202 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCC(=O)[O-] ZINC000086802376 179337063 /nfs/dbraw/zinc/33/70/63/179337063.db2.gz DDEGUFPYPKOCJG-JTQLQIEISA-N -1 3 266.297 2.452 20 5 CEBDHM C[C@@H]1CC[C@@](CO)(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339100303 366654341 /nfs/dbraw/zinc/65/43/41/366654341.db2.gz KIEYBDWJPSZHPQ-IAQYHMDHSA-N -1 3 294.351 2.283 20 5 CEBDHM C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000340677184 366981225 /nfs/dbraw/zinc/98/12/25/366981225.db2.gz LGUKVDWZCDLKGQ-SECBINFHSA-N -1 3 290.275 2.418 20 5 CEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCCC(F)(F)F ZINC000162589193 367172188 /nfs/dbraw/zinc/17/21/88/367172188.db2.gz ADMMTDYGNIKAIR-UHFFFAOYSA-N -1 3 292.213 2.138 20 5 CEBDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000162703108 367180778 /nfs/dbraw/zinc/18/07/78/367180778.db2.gz ZBIWUNUJXZHOOD-SNVBAGLBSA-N -1 3 298.364 2.452 20 5 CEBDHM CN(CCCn1ccnc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349381625 369315119 /nfs/dbraw/zinc/31/51/19/369315119.db2.gz HVDIQEHVQVJHSK-UHFFFAOYSA-N -1 3 290.323 2.019 20 5 CEBDHM Cn1c(-c2nc(-c3ccc([O-])cc3)no2)ccc1[N+](=O)[O-] ZINC000350577088 369551827 /nfs/dbraw/zinc/55/18/27/369551827.db2.gz TZNQYVZCMGOZHD-UHFFFAOYSA-N -1 3 286.247 2.356 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)[O-])C1 ZINC000226446237 370342500 /nfs/dbraw/zinc/34/25/00/370342500.db2.gz AIXKBHWQUWJGTA-GXSJLCMTSA-N -1 3 264.281 2.062 20 5 CEBDHM CC(C)(CCc1noc(-c2ccccc2[O-])n1)[N+](=O)[O-] ZINC000291146371 377092548 /nfs/dbraw/zinc/09/25/48/377092548.db2.gz YXWQKDNJAVWOIV-UHFFFAOYSA-N -1 3 277.280 2.430 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000332128732 377522752 /nfs/dbraw/zinc/52/27/52/377522752.db2.gz DIGUHELTCLZKAP-QWRGUYRKSA-N -1 3 298.364 2.146 20 5 CEBDHM Cc1nn(C)c(NCc2ccc([O-])c(F)c2)c1[N+](=O)[O-] ZINC000265564183 190190762 /nfs/dbraw/zinc/19/07/62/190190762.db2.gz KFQCPTHTIBVILE-UHFFFAOYSA-N -1 3 280.259 2.094 20 5 CEBDHM Cc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000514602646 379130164 /nfs/dbraw/zinc/13/01/64/379130164.db2.gz IILPIPLZIGDPJR-GXFFZTMASA-N -1 3 292.335 2.446 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OCC(F)(F)F ZINC000312150976 394539081 /nfs/dbraw/zinc/53/90/81/394539081.db2.gz XWIZJMZCOALVBZ-WAYWQWQTSA-N -1 3 290.197 2.218 20 5 CEBDHM Cc1cc2[nH]ncc2cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000360430842 155298657 /nfs/dbraw/zinc/29/86/57/155298657.db2.gz YVVBTDHAZKJXDT-UHFFFAOYSA-N -1 3 285.263 2.360 20 5 CEBDHM CC(C)C[C@H](CNCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000263094430 154017243 /nfs/dbraw/zinc/01/72/43/154017243.db2.gz VBJQHGMPKDPCGK-GFCCVEGCSA-N -1 3 280.324 2.431 20 5 CEBDHM Cn1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000040713397 174381511 /nfs/dbraw/zinc/38/15/11/174381511.db2.gz XCODUDMQHPAYKK-UHFFFAOYSA-N -1 3 298.100 2.229 20 5 CEBDHM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000339507815 288051019 /nfs/dbraw/zinc/05/10/19/288051019.db2.gz FYFPRDLFSZPBLG-GXTWGEPZSA-N -1 3 280.324 2.348 20 5 CEBDHM CC(C)(CCC(=O)[N-]Oc1ccccc1F)[N+](=O)[O-] ZINC000874909635 649867169 /nfs/dbraw/zinc/86/71/69/649867169.db2.gz CXUDLVTVABZSDN-UHFFFAOYSA-N -1 3 270.260 2.071 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncccc2Cl)n1 ZINC000191694799 529155571 /nfs/dbraw/zinc/15/55/71/529155571.db2.gz NUMUTEOHGZELLX-UHFFFAOYSA-N -1 3 295.686 2.112 20 5 CEBDHM Cc1c([C@@H](C)N[C@H]2CCN(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829860006 604317934 /nfs/dbraw/zinc/31/79/34/604317934.db2.gz SZAKLLUFAJFMJK-MNOVXSKESA-N -1 3 293.323 2.306 20 5 CEBDHM CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820875811 634558821 /nfs/dbraw/zinc/55/88/21/634558821.db2.gz GIQJJGSQJJGQRW-MRVPVSSYSA-N -1 3 276.300 2.010 20 5 CEBDHM CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820875811 634558827 /nfs/dbraw/zinc/55/88/27/634558827.db2.gz GIQJJGSQJJGQRW-MRVPVSSYSA-N -1 3 276.300 2.010 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000894374207 629404851 /nfs/dbraw/zinc/40/48/51/629404851.db2.gz GCRRMHAKTSHETE-JTQLQIEISA-N -1 3 288.307 2.326 20 5 CEBDHM O=c1[n-]ccc(N2CCC(F)(C3CC3)CC2)c1[N+](=O)[O-] ZINC000896237812 630509017 /nfs/dbraw/zinc/50/90/17/630509017.db2.gz UBJAECZCVWHYKS-UHFFFAOYSA-N -1 3 281.287 2.414 20 5 CEBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cocn1 ZINC000813244083 632654569 /nfs/dbraw/zinc/65/45/69/632654569.db2.gz MQZKGPUXVJHTRG-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM O=C([N-]c1cnoc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168629212 639574753 /nfs/dbraw/zinc/57/47/53/639574753.db2.gz CKBIFWQNZYYQOP-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM Cc1cc([C@@H]2CCCN2c2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC000853136688 643672862 /nfs/dbraw/zinc/67/28/62/643672862.db2.gz MCJNHCNSUDKIIS-JTQLQIEISA-N -1 3 290.279 2.333 20 5 CEBDHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000923470207 643725332 /nfs/dbraw/zinc/72/53/32/643725332.db2.gz FIQSIGPQEKSILX-CQSZACIVSA-N -1 3 293.323 2.067 20 5 CEBDHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccsc1 ZINC000853366014 643756752 /nfs/dbraw/zinc/75/67/52/643756752.db2.gz BEWCNNADBGTWLL-LBPRGKRZSA-N -1 3 295.320 2.077 20 5 CEBDHM O=C([N-]OCC(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000760142612 645114693 /nfs/dbraw/zinc/11/46/93/645114693.db2.gz WEGKNDUGGZZRJN-UHFFFAOYSA-N -1 3 280.614 2.175 20 5 CEBDHM O=c1[n-]ccc(NCC[C@H]2CCCS2)c1[N+](=O)[O-] ZINC000715666033 814985073 /nfs/dbraw/zinc/98/50/73/814985073.db2.gz HNIIQSGRSHXRBO-MRVPVSSYSA-N -1 3 269.326 2.393 20 5 CEBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ncccc1F ZINC001225667978 805113014 /nfs/dbraw/zinc/11/30/14/805113014.db2.gz XODXQHSOSUDSKD-ZETCQYMHSA-N -1 3 279.227 2.370 20 5 CEBDHM CSC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695534978 814640404 /nfs/dbraw/zinc/64/04/04/814640404.db2.gz RFCUBLYQQWLVMW-UHFFFAOYSA-N -1 3 257.315 2.249 20 5 CEBDHM O=C([O-])C[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000042163786 362063732 /nfs/dbraw/zinc/06/37/32/362063732.db2.gz SQFWWHMRBJYIMC-LLVKDONJSA-N -1 3 264.281 2.034 20 5 CEBDHM Cc1ccnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000194398787 344519413 /nfs/dbraw/zinc/51/94/13/344519413.db2.gz RRPWJZQOWLPWMX-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM CC(C)(C)c1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653081 345667646 /nfs/dbraw/zinc/66/76/46/345667646.db2.gz RMMMYHFTNVZUBX-UHFFFAOYSA-N -1 3 262.269 2.179 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1[N+](=O)[O-] ZINC000596162068 345956693 /nfs/dbraw/zinc/95/66/93/345956693.db2.gz YAIMFWHGKCCDLH-KKZNHRDASA-N -1 3 279.296 2.065 20 5 CEBDHM O=c1[n-]ccc(NCCC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000596167514 345958010 /nfs/dbraw/zinc/95/80/10/345958010.db2.gz IQOQVVBTCJAZNO-JQWIXIFHSA-N -1 3 295.339 2.439 20 5 CEBDHM CC[C@H](C)n1nc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000596184836 345963619 /nfs/dbraw/zinc/96/36/19/345963619.db2.gz KQTHYQLEHXPCQF-QMMMGPOBSA-N -1 3 291.311 2.337 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000596085508 345936623 /nfs/dbraw/zinc/93/66/23/345936623.db2.gz IVRASOLRJAJQGM-NSHDSACASA-N -1 3 286.291 2.432 20 5 CEBDHM CCOC(=O)C[C@H](C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596128479 345946314 /nfs/dbraw/zinc/94/63/14/345946314.db2.gz JLMYUFOSXYSCKY-ZETCQYMHSA-N -1 3 286.309 2.129 20 5 CEBDHM CC(C)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596141625 345949757 /nfs/dbraw/zinc/94/97/57/345949757.db2.gz ICPMNAUTRUQEJP-JTQLQIEISA-N -1 3 283.353 2.273 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596211457 345970518 /nfs/dbraw/zinc/97/05/18/345970518.db2.gz SHCXCBLPTNEBDU-SSDOTTSWSA-N -1 3 291.229 2.474 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H](CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000596242896 345978763 /nfs/dbraw/zinc/97/87/63/345978763.db2.gz CTWKZEHOGLNTBD-NSHDSACASA-N -1 3 295.339 2.296 20 5 CEBDHM O=C([O-])C1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000596656430 346073263 /nfs/dbraw/zinc/07/32/63/346073263.db2.gz CAXHZWZMFWLXIY-UHFFFAOYSA-N -1 3 270.310 2.001 20 5 CEBDHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000600800977 346692884 /nfs/dbraw/zinc/69/28/84/346692884.db2.gz OYJZIWWFFWCESF-DGCLKSJQSA-N -1 3 292.335 2.446 20 5 CEBDHM CCC1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000295269035 199432851 /nfs/dbraw/zinc/43/28/51/199432851.db2.gz LUAYKZGFBGRDLI-UHFFFAOYSA-N -1 3 284.337 2.124 20 5 CEBDHM CCOc1cc(CN(C)C(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000570100893 299238765 /nfs/dbraw/zinc/23/87/65/299238765.db2.gz YWEZTMBCVHPURX-UHFFFAOYSA-N -1 3 296.323 2.289 20 5 CEBDHM C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000578626243 366523506 /nfs/dbraw/zinc/52/35/06/366523506.db2.gz GJBBLZKHIWEMIB-ZWNOBZJWSA-N -1 3 278.308 2.137 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCCC(=O)[O-] ZINC000083662512 363782924 /nfs/dbraw/zinc/78/29/24/363782924.db2.gz MQHCDTQTBGTUDG-JTQLQIEISA-N -1 3 266.297 2.452 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]O[C@@H]1CCCCO1 ZINC000162296555 367149513 /nfs/dbraw/zinc/14/95/13/367149513.db2.gz AIEDOJPTZNKGSL-MYSGNRETSA-N -1 3 292.291 2.182 20 5 CEBDHM CCC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000175659339 368161762 /nfs/dbraw/zinc/16/17/62/368161762.db2.gz SSPQWQOETFONEA-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000345935034 368487558 /nfs/dbraw/zinc/48/75/58/368487558.db2.gz UKOLCAVNJPYFDO-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM COC(=O)c1cnc(SCc2ccccc2[N+](=O)[O-])[n-]1 ZINC000187585790 369183322 /nfs/dbraw/zinc/18/33/22/369183322.db2.gz JVKKPBGJPTZOBI-UHFFFAOYSA-N -1 3 293.304 2.397 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]O[C@H]1CCCCO1 ZINC000255322977 371576325 /nfs/dbraw/zinc/57/63/25/371576325.db2.gz AIEDOJPTZNKGSL-CKXPSTMWSA-N -1 3 292.291 2.182 20 5 CEBDHM C[C@@H]1CC([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])=NO1 ZINC000272159702 373335787 /nfs/dbraw/zinc/33/57/87/373335787.db2.gz SWJIPRNHPIWELF-ZCFIWIBFSA-N -1 3 283.671 2.100 20 5 CEBDHM CSCCO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000280108125 375092573 /nfs/dbraw/zinc/09/25/73/375092573.db2.gz UZOIFRTYPRPPBE-VOTSOKGWSA-N -1 3 282.321 2.019 20 5 CEBDHM O=C([O-])CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261845343 190044972 /nfs/dbraw/zinc/04/49/72/190044972.db2.gz ATRLPJNPKXSOJX-UHFFFAOYSA-N -1 3 278.308 2.424 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN(CCO)C1CCCCC1 ZINC000331186157 377319545 /nfs/dbraw/zinc/31/95/45/377319545.db2.gz NPMNEAFOPSFCHX-UHFFFAOYSA-N -1 3 294.351 2.427 20 5 CEBDHM CC(C)(O)[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331200861 377324812 /nfs/dbraw/zinc/32/48/12/377324812.db2.gz NDUIAINSISATBX-ZDUSSCGKSA-N -1 3 280.324 2.036 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1C(=O)[O-] ZINC000563724414 377286928 /nfs/dbraw/zinc/28/69/28/377286928.db2.gz QMBLVXQPJBFUIW-LBPRGKRZSA-N -1 3 294.307 2.043 20 5 CEBDHM Cc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000514602647 379130540 /nfs/dbraw/zinc/13/05/40/379130540.db2.gz IILPIPLZIGDPJR-MFKMUULPSA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCCCF ZINC000288623288 197129057 /nfs/dbraw/zinc/12/90/57/197129057.db2.gz QTCORXCVUURNOS-UHFFFAOYSA-N -1 3 290.316 2.395 20 5 CEBDHM C[C@H]([N-]C(=O)C(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000288557618 197111906 /nfs/dbraw/zinc/11/19/06/197111906.db2.gz MBRILMYNWMMMLC-ZETCQYMHSA-N -1 3 258.224 2.427 20 5 CEBDHM COc1cc(CNc2nocc2C)c([N+](=O)[O-])cc1[O-] ZINC000191562038 130254622 /nfs/dbraw/zinc/25/46/22/130254622.db2.gz VDPPGGXQSXDBSE-UHFFFAOYSA-N -1 3 279.252 2.218 20 5 CEBDHM COc1ccc([N-]C(=O)c2oc(C)nc2C)c([N+](=O)[O-])c1 ZINC000175609468 165141480 /nfs/dbraw/zinc/14/14/80/165141480.db2.gz IKCYHYQXVUTQQB-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM Cc1c(C(=O)[N-]c2nncs2)cccc1[N+](=O)[O-] ZINC000005678429 170127781 /nfs/dbraw/zinc/12/77/81/170127781.db2.gz RRSJGOIYSSLNQU-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000043801092 175106804 /nfs/dbraw/zinc/10/68/04/175106804.db2.gz SOAJEDAJTYWBGX-QWRGUYRKSA-N -1 3 298.364 2.452 20 5 CEBDHM Nc1c(C(=O)Nc2ccccc2[O-])cc(F)cc1[N+](=O)[O-] ZINC000077678611 177294071 /nfs/dbraw/zinc/29/40/71/177294071.db2.gz RPVHPVUOSKYKOE-UHFFFAOYSA-N -1 3 291.238 2.274 20 5 CEBDHM Cc1nc([N-]C(=O)c2ncc(F)cc2F)ccc1[N+](=O)[O-] ZINC000192379247 227779675 /nfs/dbraw/zinc/77/96/75/227779675.db2.gz MBZACXFZIFWTHG-UHFFFAOYSA-N -1 3 294.217 2.224 20 5 CEBDHM Cc1c(CC(=O)Nc2ncccc2[O-])cccc1[N+](=O)[O-] ZINC000157995884 289225939 /nfs/dbraw/zinc/22/59/39/289225939.db2.gz BIAMJMQZJQRTCV-UHFFFAOYSA-N -1 3 287.275 2.185 20 5 CEBDHM CC[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189782264 536170470 /nfs/dbraw/zinc/17/04/70/536170470.db2.gz WXSUUDMNSFFRPC-JTQLQIEISA-N -1 3 286.353 2.288 20 5 CEBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1cncc([O-])c1 ZINC000731915184 574605894 /nfs/dbraw/zinc/60/58/94/574605894.db2.gz IROURWRHBNALLC-UHFFFAOYSA-N -1 3 274.232 2.052 20 5 CEBDHM CCN(CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000827150238 604957949 /nfs/dbraw/zinc/95/79/49/604957949.db2.gz CJZUYRMYNJUJFU-JTQLQIEISA-N -1 3 281.312 2.245 20 5 CEBDHM C/C(=C/CN[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000833385760 605203399 /nfs/dbraw/zinc/20/33/99/605203399.db2.gz UDJXSVGSJBBBIC-UJICNMFASA-N -1 3 264.281 2.276 20 5 CEBDHM CC1(C)CC2(CC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CO1 ZINC000897214392 630994893 /nfs/dbraw/zinc/99/48/93/630994893.db2.gz KFWYUWGRJJVGHI-UHFFFAOYSA-N -1 3 293.323 2.455 20 5 CEBDHM O=C([O-])[C@]12C[C@H]1CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000903936466 635360990 /nfs/dbraw/zinc/36/09/90/635360990.db2.gz LSRQSPHZNFHJFQ-RISCZKNCSA-N -1 3 276.292 2.034 20 5 CEBDHM O=c1[n-]ccc(N2CCCCCCC2)c1[N+](=O)[O-] ZINC000853085421 643647108 /nfs/dbraw/zinc/64/71/08/643647108.db2.gz MXYJYZUQZSJFIC-UHFFFAOYSA-N -1 3 251.286 2.466 20 5 CEBDHM O=c1[n-]ccc(NCC(F)(F)Br)c1[N+](=O)[O-] ZINC000858645172 645227962 /nfs/dbraw/zinc/22/79/62/645227962.db2.gz NMOVTMXMTWTLAU-UHFFFAOYSA-N -1 3 298.043 2.095 20 5 CEBDHM CC[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000723843986 802946379 /nfs/dbraw/zinc/94/63/79/802946379.db2.gz WHAIVKRSZNQVBB-VHSXEESVSA-N -1 3 281.312 2.313 20 5 CEBDHM CC[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000723843982 802946592 /nfs/dbraw/zinc/94/65/92/802946592.db2.gz WHAIVKRSZNQVBB-NXEZZACHSA-N -1 3 281.312 2.313 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CCCC1 ZINC000036754316 343424520 /nfs/dbraw/zinc/42/45/20/343424520.db2.gz BKDWICQDHGDDOZ-UHFFFAOYSA-N -1 3 284.337 2.063 20 5 CEBDHM Cc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063447642 343677161 /nfs/dbraw/zinc/67/71/61/343677161.db2.gz BWQVBGDJHYUXLH-UHFFFAOYSA-N -1 3 261.237 2.452 20 5 CEBDHM O=[N+]([O-])c1cccnc1NCc1ccc([O-])c(F)c1 ZINC000078020021 343939082 /nfs/dbraw/zinc/93/90/82/343939082.db2.gz BBNSMTGCXQHEEG-UHFFFAOYSA-N -1 3 263.228 2.447 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC=CC2)cc1C ZINC000132181691 344362231 /nfs/dbraw/zinc/36/22/31/344362231.db2.gz NFTBXLNTNATLTK-UHFFFAOYSA-N -1 3 296.348 2.209 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000145337252 344408871 /nfs/dbraw/zinc/40/88/71/344408871.db2.gz NLCFYUUQOAQTGO-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000229294688 344564751 /nfs/dbraw/zinc/56/47/51/344564751.db2.gz HRFUHUKWUAYCIK-GXFFZTMASA-N -1 3 278.308 2.280 20 5 CEBDHM O=C([O-])C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000054300317 362524503 /nfs/dbraw/zinc/52/45/03/362524503.db2.gz MBEHTNDHICOXNS-LBPRGKRZSA-N -1 3 278.308 2.282 20 5 CEBDHM C[C@H]1CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596181028 345961998 /nfs/dbraw/zinc/96/19/98/345961998.db2.gz VWTOUNMRTIIFJU-YUMQZZPRSA-N -1 3 267.285 2.063 20 5 CEBDHM CN(CCc1cccs1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596139437 345949244 /nfs/dbraw/zinc/94/92/44/345949244.db2.gz AHIHPMQXZKTJKZ-UHFFFAOYSA-N -1 3 279.321 2.436 20 5 CEBDHM CO[C@]1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596144131 345950929 /nfs/dbraw/zinc/95/09/29/345950929.db2.gz AMGPIVWVQJJINM-TVQRCGJNSA-N -1 3 281.312 2.311 20 5 CEBDHM CCO[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000596144411 345951047 /nfs/dbraw/zinc/95/10/47/345951047.db2.gz DBZXALYDEBYCKY-QWRGUYRKSA-N -1 3 293.323 2.455 20 5 CEBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1nccs1 ZINC000596198104 345967243 /nfs/dbraw/zinc/96/72/43/345967243.db2.gz HNLNCCLGRSVZNE-SSDOTTSWSA-N -1 3 280.309 2.368 20 5 CEBDHM CC1(C)SC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596203662 345968434 /nfs/dbraw/zinc/96/84/34/345968434.db2.gz JJPMIVUAGPEDDQ-ZETCQYMHSA-N -1 3 255.299 2.001 20 5 CEBDHM O=c1[n-]ccc(N2CCC([C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596202053 345968445 /nfs/dbraw/zinc/96/84/45/345968445.db2.gz ACGAWWAHVFDPDT-LBPRGKRZSA-N -1 3 293.323 2.091 20 5 CEBDHM CC[C@@H](C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596251185 345981329 /nfs/dbraw/zinc/98/13/29/345981329.db2.gz ZZJTUUWHOXHVOE-PSASIEDQSA-N -1 3 269.301 2.168 20 5 CEBDHM COCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596262421 345984691 /nfs/dbraw/zinc/98/46/91/345984691.db2.gz VAYFUFMLXBJIMY-UHFFFAOYSA-N -1 3 281.312 2.314 20 5 CEBDHM COc1cc(CN2CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569108317 299180234 /nfs/dbraw/zinc/18/02/34/299180234.db2.gz JVWKXWGQYZYIAX-GFCCVEGCSA-N -1 3 294.307 2.043 20 5 CEBDHM COc1ccc([N-]C(=O)c2ncoc2C)c([N+](=O)[O-])c1 ZINC000121567053 186981367 /nfs/dbraw/zinc/98/13/67/186981367.db2.gz ZTXCMEPKHOPBQC-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM C[C@]1(O)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339140384 366674184 /nfs/dbraw/zinc/67/41/84/366674184.db2.gz DGIDUEDFWWXKSB-AWEZNQCLSA-N -1 3 280.324 2.037 20 5 CEBDHM CN(CCCCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000181545622 189300653 /nfs/dbraw/zinc/30/06/53/189300653.db2.gz DWQSVTFCNZTCPY-UHFFFAOYSA-N -1 3 266.297 2.282 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC1=CCCC1 ZINC000159107883 366877506 /nfs/dbraw/zinc/87/75/06/366877506.db2.gz FWMOZYSFQRVQRO-UHFFFAOYSA-N -1 3 296.348 2.374 20 5 CEBDHM COc1cc(C(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000183534254 368631107 /nfs/dbraw/zinc/63/11/07/368631107.db2.gz HRIATYXUEWOFQA-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM Cc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186742936 369032546 /nfs/dbraw/zinc/03/25/46/369032546.db2.gz UYYIZUNOEXCKLC-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM Cc1cccc([O-])c1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000352645236 369818349 /nfs/dbraw/zinc/81/83/49/369818349.db2.gz IEFIHFYRSIYAMX-UHFFFAOYSA-N -1 3 261.237 2.189 20 5 CEBDHM Cc1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1[O-] ZINC000354525078 370398415 /nfs/dbraw/zinc/39/84/15/370398415.db2.gz IULFJENEIDCNDD-UHFFFAOYSA-N -1 3 296.670 2.238 20 5 CEBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cscn1 ZINC000229560780 284281868 /nfs/dbraw/zinc/28/18/68/284281868.db2.gz JBKZYOZLDZIZQD-UHFFFAOYSA-N -1 3 267.241 2.443 20 5 CEBDHM O=C(Nc1ccncc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000032726604 284382756 /nfs/dbraw/zinc/38/27/56/284382756.db2.gz YNDJBSHANPFVDM-UHFFFAOYSA-N -1 3 283.247 2.118 20 5 CEBDHM CCCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000261583922 190041101 /nfs/dbraw/zinc/04/11/01/190041101.db2.gz HMKJSTQSAAGIGQ-UHFFFAOYSA-N -1 3 270.260 2.031 20 5 CEBDHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000286832061 376079623 /nfs/dbraw/zinc/07/96/23/376079623.db2.gz WBBXPIQDJRVMOO-LLVKDONJSA-N -1 3 284.337 2.062 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1C(=O)[O-] ZINC000563274602 377151011 /nfs/dbraw/zinc/15/10/11/377151011.db2.gz QMBLVXQPJBFUIW-GFCCVEGCSA-N -1 3 294.307 2.043 20 5 CEBDHM C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000565303028 377634891 /nfs/dbraw/zinc/63/48/91/377634891.db2.gz KRCPUSVWKBKIBT-MFKMUULPSA-N -1 3 278.308 2.137 20 5 CEBDHM O=C([N-]OCC1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000295712493 378275601 /nfs/dbraw/zinc/27/56/01/378275601.db2.gz YOQQWKCPODGOGQ-UHFFFAOYSA-N -1 3 270.672 2.320 20 5 CEBDHM O=C(Nc1cccc2[nH]ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187061816 183652625 /nfs/dbraw/zinc/65/26/25/183652625.db2.gz PEBJIEGSBQCHGK-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM CO[C@@H]1C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000344695914 395059093 /nfs/dbraw/zinc/05/90/93/395059093.db2.gz MZGASHCCLHKELN-QWHCGFSZSA-N -1 3 280.324 2.204 20 5 CEBDHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccccc1[N+](=O)[O-] ZINC000397479670 270354212 /nfs/dbraw/zinc/35/42/12/270354212.db2.gz CXMTYOLXWHTSTM-ZYHUDNBSSA-N -1 3 278.308 2.280 20 5 CEBDHM Cc1[n-]c(=NCc2cn3ccsc3n2)ccc1[N+](=O)[O-] ZINC000471628017 290274605 /nfs/dbraw/zinc/27/46/05/290274605.db2.gz TXVFWYVZMTXNOR-UHFFFAOYSA-N -1 3 289.320 2.041 20 5 CEBDHM Cc1cc(NCCN2CCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580556263 322326257 /nfs/dbraw/zinc/32/62/57/322326257.db2.gz JRVMGJPQSCBTIY-UHFFFAOYSA-N -1 3 293.323 2.109 20 5 CEBDHM CCO[N-]C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184938579 520227639 /nfs/dbraw/zinc/22/76/39/520227639.db2.gz BHGMHRXTYTXGQC-CMDGGOBGSA-N -1 3 250.254 2.066 20 5 CEBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cncc([O-])c1 ZINC000731915481 574605942 /nfs/dbraw/zinc/60/59/42/574605942.db2.gz XWDRIXDXZQKAGV-UHFFFAOYSA-N -1 3 274.232 2.052 20 5 CEBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1cncc([O-])c1 ZINC000732391267 574620016 /nfs/dbraw/zinc/62/00/16/574620016.db2.gz GWKGCQUZISHDGJ-UHFFFAOYSA-N -1 3 280.261 2.114 20 5 CEBDHM CC(C)[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735699960 574764593 /nfs/dbraw/zinc/76/45/93/574764593.db2.gz DPBNXTNYKCVKIC-SECBINFHSA-N -1 3 290.327 2.256 20 5 CEBDHM CC(C)[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735699960 574764595 /nfs/dbraw/zinc/76/45/95/574764595.db2.gz DPBNXTNYKCVKIC-SECBINFHSA-N -1 3 290.327 2.256 20 5 CEBDHM CC1(C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736212459 574778225 /nfs/dbraw/zinc/77/82/25/574778225.db2.gz ZXNYCYBZDYPQOY-SECBINFHSA-N -1 3 288.311 2.233 20 5 CEBDHM CC1(C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736212459 574778226 /nfs/dbraw/zinc/77/82/26/574778226.db2.gz ZXNYCYBZDYPQOY-SECBINFHSA-N -1 3 288.311 2.233 20 5 CEBDHM C[C@H]1C[C@H](C)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736227534 574778504 /nfs/dbraw/zinc/77/85/04/574778504.db2.gz LFRJDNBIYAGDLS-IUCAKERBSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736227534 574778505 /nfs/dbraw/zinc/77/85/05/574778505.db2.gz LFRJDNBIYAGDLS-IUCAKERBSA-N -1 3 288.311 2.010 20 5 CEBDHM CCC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736422033 574787507 /nfs/dbraw/zinc/78/75/07/574787507.db2.gz FHDJTZCMXMMZLG-VIFPVBQESA-N -1 3 290.327 2.400 20 5 CEBDHM CCC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736422033 574787509 /nfs/dbraw/zinc/78/75/09/574787509.db2.gz FHDJTZCMXMMZLG-VIFPVBQESA-N -1 3 290.327 2.400 20 5 CEBDHM CC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000818317316 597153281 /nfs/dbraw/zinc/15/32/81/597153281.db2.gz SJEIXRGEZSGULP-SNVBAGLBSA-N -1 3 272.688 2.201 20 5 CEBDHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000825480268 603621599 /nfs/dbraw/zinc/62/15/99/603621599.db2.gz VIEQXZHSMRGXCA-GHMZBOCLSA-N -1 3 293.323 2.388 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CNC(=O)[O-])C1 ZINC000825638772 604043445 /nfs/dbraw/zinc/04/34/45/604043445.db2.gz OOUKMCBILNTDKJ-WDEREUQCSA-N -1 3 293.323 2.245 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000830428681 604318140 /nfs/dbraw/zinc/31/81/40/604318140.db2.gz XJGQQUYGSCQHQQ-WDEREUQCSA-N -1 3 293.323 2.306 20 5 CEBDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC000822211552 606037151 /nfs/dbraw/zinc/03/71/51/606037151.db2.gz DQFVCOCPROVWJK-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC000822211552 606037157 /nfs/dbraw/zinc/03/71/57/606037157.db2.gz DQFVCOCPROVWJK-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM O=C([O-])[C@@H]1C[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903887625 635314880 /nfs/dbraw/zinc/31/48/80/635314880.db2.gz YFFPWPFYXCNXBR-WCQYABFASA-N -1 3 290.319 2.280 20 5 CEBDHM O=c1[n-]ccc(N2C[C@@H]3CC=CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000866162380 647636447 /nfs/dbraw/zinc/63/64/47/647636447.db2.gz XWKGNBRRENCEII-AOOOYVTPSA-N -1 3 261.281 2.098 20 5 CEBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cncc([O-])c1 ZINC000783625857 647740243 /nfs/dbraw/zinc/74/02/43/647740243.db2.gz VTVCXSLFWWHQGK-UHFFFAOYSA-N -1 3 292.222 2.192 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1[N+](=O)[O-] ZINC000872695641 649458113 /nfs/dbraw/zinc/45/81/13/649458113.db2.gz ILRQAMGTBQKVTA-ATZCPNFKSA-N -1 3 279.296 2.065 20 5 CEBDHM Cc1nc(Nc2cc([N+](=O)[O-])ccc2F)cc(=O)[n-]1 ZINC001175735302 816271477 /nfs/dbraw/zinc/27/14/77/816271477.db2.gz BWWWGEHTEMAGRJ-UHFFFAOYSA-N -1 3 264.216 2.282 20 5 CEBDHM Cc1cc([N-]C(=O)COc2ccc(C)cc2[N+](=O)[O-])on1 ZINC000021487822 343377550 /nfs/dbraw/zinc/37/75/50/343377550.db2.gz JJJHFCLJNBTLQG-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnns1 ZINC000047412732 362207090 /nfs/dbraw/zinc/20/70/90/362207090.db2.gz XHOSJDXLTVKAKD-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM Cc1ccc(CN2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000602019164 346961716 /nfs/dbraw/zinc/96/17/16/346961716.db2.gz CZHZSXAPJYBSQG-LBPRGKRZSA-N -1 3 278.308 2.200 20 5 CEBDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1csc([N+](=O)[O-])c1 ZINC000592950724 345416347 /nfs/dbraw/zinc/41/63/47/345416347.db2.gz SLWSAIQZJJCVJI-UHFFFAOYSA-N -1 3 294.336 2.485 20 5 CEBDHM C[C@@H](CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000593749171 345532756 /nfs/dbraw/zinc/53/27/56/345532756.db2.gz ACRWWMCJHNUXMM-JTQLQIEISA-N -1 3 278.308 2.280 20 5 CEBDHM C[C@H](CO)[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595674587 345845031 /nfs/dbraw/zinc/84/50/31/345845031.db2.gz LUKAVKWFWKPAAY-BXUZGUMPSA-N -1 3 294.351 2.283 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CCCS2)c1[N+](=O)[O-] ZINC000596157466 345955098 /nfs/dbraw/zinc/95/50/98/345955098.db2.gz VTOKLKDQSOBOTO-SSDOTTSWSA-N -1 3 255.299 2.003 20 5 CEBDHM CCO[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000596144409 345951223 /nfs/dbraw/zinc/95/12/23/345951223.db2.gz DBZXALYDEBYCKY-MNOVXSKESA-N -1 3 293.323 2.455 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000596220289 345973218 /nfs/dbraw/zinc/97/32/18/345973218.db2.gz YJSBJGFWULNRHY-KOLCDFICSA-N -1 3 279.296 2.065 20 5 CEBDHM CCSCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596225160 345974577 /nfs/dbraw/zinc/97/45/77/345974577.db2.gz AYPISCAXYQTZOL-UHFFFAOYSA-N -1 3 257.315 2.251 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CCCSC2)c1[N+](=O)[O-] ZINC000596234764 345976341 /nfs/dbraw/zinc/97/63/41/345976341.db2.gz CFRLSUALXSXEHO-QMMMGPOBSA-N -1 3 269.326 2.251 20 5 CEBDHM COC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596263387 345984728 /nfs/dbraw/zinc/98/47/28/345984728.db2.gz DNYDCHIQQNKQMD-UHFFFAOYSA-N -1 3 267.285 2.065 20 5 CEBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596289243 345992197 /nfs/dbraw/zinc/99/21/97/345992197.db2.gz ZQUFHIXLJGGXAW-DTORHVGOSA-N -1 3 281.312 2.453 20 5 CEBDHM COCC[C@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596193172 345966034 /nfs/dbraw/zinc/96/60/34/345966034.db2.gz CXBMMSVQPDMXTJ-LLVKDONJSA-N -1 3 295.339 2.338 20 5 CEBDHM Cc1cc(N2Cc3nc(C)[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000600842309 346699892 /nfs/dbraw/zinc/69/98/92/346699892.db2.gz NUSLNLOYWLNRGP-UHFFFAOYSA-N -1 3 286.291 2.227 20 5 CEBDHM COc1nnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000616017479 348429127 /nfs/dbraw/zinc/42/91/27/348429127.db2.gz OSKMXZPDKOJMEX-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000570514527 299261431 /nfs/dbraw/zinc/26/14/31/299261431.db2.gz OZSYFKOPEYKYCG-JQWIXIFHSA-N -1 3 278.308 2.137 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C2CC2)c1C ZINC000178282267 189102082 /nfs/dbraw/zinc/10/20/82/189102082.db2.gz ROSMGZYJVYIVRB-JTQLQIEISA-N -1 3 298.364 2.288 20 5 CEBDHM COc1cc(CN[C@H]2C[C@H]2C(F)F)c([N+](=O)[O-])cc1[O-] ZINC000342218545 216264676 /nfs/dbraw/zinc/26/46/76/216264676.db2.gz IPZCOZXMQIKJQL-SFYZADRCSA-N -1 3 288.250 2.052 20 5 CEBDHM Cc1ncc(CNc2ncc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000343600184 367909664 /nfs/dbraw/zinc/90/96/64/367909664.db2.gz JPBLLMXISCNDDK-UHFFFAOYSA-N -1 3 295.686 2.059 20 5 CEBDHM CO[C@@H]1[C@H](C)[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000345706174 368380778 /nfs/dbraw/zinc/38/07/78/368380778.db2.gz LLAXXYOHMLGODO-OWYVNGRQSA-N -1 3 294.351 2.450 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC2CC2)c1[N+](=O)[O-] ZINC000190020949 369588941 /nfs/dbraw/zinc/58/89/41/369588941.db2.gz YDFJWDAQGVYVHN-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000011594814 284306921 /nfs/dbraw/zinc/30/69/21/284306921.db2.gz RHYCXUBQODWWGX-UHFFFAOYSA-N -1 3 277.211 2.087 20 5 CEBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(OC)no1 ZINC000362345810 372323407 /nfs/dbraw/zinc/32/34/07/372323407.db2.gz PUOCESMUPWGSSH-UHFFFAOYSA-N -1 3 291.263 2.406 20 5 CEBDHM CSCCON=C([O-])Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000280116415 375096573 /nfs/dbraw/zinc/09/65/73/375096573.db2.gz CYSXIMHDZNTDTI-UHFFFAOYSA-N -1 3 285.325 2.319 20 5 CEBDHM CSCCO[N-]C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000280116415 375096582 /nfs/dbraw/zinc/09/65/82/375096582.db2.gz CYSXIMHDZNTDTI-UHFFFAOYSA-N -1 3 285.325 2.319 20 5 CEBDHM O=[N+]([O-])c1cccc(F)c1[N-]OC[C@H]1CCOC1 ZINC000287894974 376337494 /nfs/dbraw/zinc/33/74/94/376337494.db2.gz VAXPJXLSVRYDPP-QMMMGPOBSA-N -1 3 256.233 2.114 20 5 CEBDHM CC(C)c1[nH]nc(C(=O)Nc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000438976544 377914723 /nfs/dbraw/zinc/91/47/23/377914723.db2.gz UCISKXVKIAGYBF-UHFFFAOYSA-N -1 3 290.279 2.399 20 5 CEBDHM CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048659618 394520529 /nfs/dbraw/zinc/52/05/29/394520529.db2.gz PMFUPHDKHFMMBV-UHFFFAOYSA-N -1 3 290.316 2.202 20 5 CEBDHM CCC[C@@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423749917 394975530 /nfs/dbraw/zinc/97/55/30/394975530.db2.gz WMJVECNHHMGVCA-SSDOTTSWSA-N -1 3 287.703 2.020 20 5 CEBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1cnns1 ZINC000194359373 395433362 /nfs/dbraw/zinc/43/33/62/395433362.db2.gz QDNROISPKKRJKX-UHFFFAOYSA-N -1 3 278.293 2.315 20 5 CEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])cc1F ZINC000183251705 165388121 /nfs/dbraw/zinc/38/81/21/165388121.db2.gz CZCVPOODDBTLCJ-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM CCCSC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426780139 260536029 /nfs/dbraw/zinc/53/60/29/260536029.db2.gz OSBNYMKNXIELCD-LBPRGKRZSA-N -1 3 298.364 2.281 20 5 CEBDHM CC(C)c1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000128221677 279882507 /nfs/dbraw/zinc/88/25/07/279882507.db2.gz QDOZJGVJJLNJGL-UHFFFAOYSA-N -1 3 281.297 2.150 20 5 CEBDHM CCCc1[nH]nc(C(=O)Nc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000131147445 279950323 /nfs/dbraw/zinc/95/03/23/279950323.db2.gz NPVFJQDQMSYSMV-UHFFFAOYSA-N -1 3 290.279 2.228 20 5 CEBDHM CSCCO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492010427 290564460 /nfs/dbraw/zinc/56/44/60/290564460.db2.gz UZOIFRTYPRPPBE-SREVYHEPSA-N -1 3 282.321 2.019 20 5 CEBDHM CCN1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000395708201 329300181 /nfs/dbraw/zinc/30/01/81/329300181.db2.gz KJEFGDLUHXNIDW-UHFFFAOYSA-N -1 3 293.323 2.189 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000049282544 527405429 /nfs/dbraw/zinc/40/54/29/527405429.db2.gz DXJUOUXPLIRNNU-NSHDSACASA-N -1 3 296.348 2.229 20 5 CEBDHM C[C@H](N[C@@H](CNC(=O)[O-])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000825472262 603621588 /nfs/dbraw/zinc/62/15/88/603621588.db2.gz GKFGRUUTHYPXRJ-CABZTGNLSA-N -1 3 293.323 2.292 20 5 CEBDHM CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820989608 606726362 /nfs/dbraw/zinc/72/63/62/606726362.db2.gz XELBBVRMDVHSKL-VIFPVBQESA-N -1 3 288.311 2.011 20 5 CEBDHM CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820989608 606726364 /nfs/dbraw/zinc/72/63/64/606726364.db2.gz XELBBVRMDVHSKL-VIFPVBQESA-N -1 3 288.311 2.011 20 5 CEBDHM Cc1cc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ccc1[N+](=O)[O-] ZINC000894374197 629404866 /nfs/dbraw/zinc/40/48/66/629404866.db2.gz FWZLHDQWBXLCRM-JTQLQIEISA-N -1 3 288.307 2.326 20 5 CEBDHM CSCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000896211465 630500580 /nfs/dbraw/zinc/50/05/80/630500580.db2.gz ZNHWPBIEDBAVRA-UHFFFAOYSA-N -1 3 283.353 2.275 20 5 CEBDHM C[C@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000896896736 630766345 /nfs/dbraw/zinc/76/63/45/630766345.db2.gz FNYOTKMJXBIMIF-BQVMBELUSA-N -1 3 287.319 2.344 20 5 CEBDHM COCCN(CCC(=O)[O-])[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903711965 635243236 /nfs/dbraw/zinc/24/32/36/635243236.db2.gz RBLNSWGYPZBJKN-LLVKDONJSA-N -1 3 296.323 2.079 20 5 CEBDHM O=C(Cc1cccc(F)c1[N+](=O)[O-])[N-]OCC1CCC1 ZINC000869305769 648407918 /nfs/dbraw/zinc/40/79/18/648407918.db2.gz SZSMSEWQDCDBTF-UHFFFAOYSA-N -1 3 282.271 2.124 20 5 CEBDHM Cc1conc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000123531552 649038965 /nfs/dbraw/zinc/03/89/65/649038965.db2.gz LBNKXVGHONSBRZ-UHFFFAOYSA-N -1 3 292.207 2.052 20 5 CEBDHM CC1(C)C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CCO1 ZINC001225666107 805107872 /nfs/dbraw/zinc/10/78/72/805107872.db2.gz GGOMPWZWSFDCIT-QMMMGPOBSA-N -1 3 268.269 2.032 20 5 CEBDHM COc1ccc(CN2CCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000042163679 362063851 /nfs/dbraw/zinc/06/38/51/362063851.db2.gz NVEWQKQPJIBXIQ-NSHDSACASA-N -1 3 294.307 2.043 20 5 CEBDHM CCC[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033620 362172847 /nfs/dbraw/zinc/17/28/47/362172847.db2.gz BEDKFBGMUSVQLM-JTQLQIEISA-N -1 3 286.353 2.370 20 5 CEBDHM CCc1ocnc1C(=O)[N-]c1ccc(OC)cc1[N+](=O)[O-] ZINC000351337067 219092912 /nfs/dbraw/zinc/09/29/12/219092912.db2.gz IXJIUHCGXWVUCR-UHFFFAOYSA-N -1 3 291.263 2.406 20 5 CEBDHM O=[N+]([O-])c1cnc([N-]c2cnn(CC3CC3)c2)c(F)c1 ZINC000591148383 345224951 /nfs/dbraw/zinc/22/49/51/345224951.db2.gz KRUPQMMKNYWIBI-UHFFFAOYSA-N -1 3 277.259 2.479 20 5 CEBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000594857613 345692118 /nfs/dbraw/zinc/69/21/18/345692118.db2.gz KDKHOMLDVDCTBU-NSHDSACASA-N -1 3 298.364 2.370 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595362552 345769326 /nfs/dbraw/zinc/76/93/26/345769326.db2.gz KQHQAAQPKOHDEQ-UHFFFAOYSA-N -1 3 296.348 2.292 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1[N+](=O)[O-] ZINC000596161002 345956354 /nfs/dbraw/zinc/95/63/54/345956354.db2.gz BKFINMBFCRFKJN-KGYLQXTDSA-N -1 3 283.287 2.446 20 5 CEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)S1 ZINC000596138770 345949281 /nfs/dbraw/zinc/94/92/81/345949281.db2.gz NLLLVQCULLENQV-YUMQZZPRSA-N -1 3 269.326 2.026 20 5 CEBDHM O=c1[n-]ccc(NCCCC2CCOCC2)c1[N+](=O)[O-] ZINC000596254350 345981796 /nfs/dbraw/zinc/98/17/96/345981796.db2.gz BMKMLMRLZGITMR-UHFFFAOYSA-N -1 3 281.312 2.314 20 5 CEBDHM CC1(C)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000610787940 347714819 /nfs/dbraw/zinc/71/48/19/347714819.db2.gz RJNRHXSITFIJCG-BNOWGMLFSA-N -1 3 292.335 2.204 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000292292507 198233189 /nfs/dbraw/zinc/23/31/89/198233189.db2.gz UHTVCUCOGBSRDF-SNVBAGLBSA-N -1 3 266.297 2.231 20 5 CEBDHM CCO[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079429776 363600931 /nfs/dbraw/zinc/60/09/31/363600931.db2.gz MIOKRSUSAFXIHR-UHFFFAOYSA-N -1 3 278.186 2.295 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C)c1C ZINC000119255171 365242753 /nfs/dbraw/zinc/24/27/53/365242753.db2.gz KJVWZBXRATXKJH-UHFFFAOYSA-N -1 3 286.353 2.288 20 5 CEBDHM CCO[N-]C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120151817 365382024 /nfs/dbraw/zinc/38/20/24/365382024.db2.gz AQQXTEAIPPLFLG-UHFFFAOYSA-N -1 3 253.258 2.285 20 5 CEBDHM CC(C)(C)c1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000159617602 366932325 /nfs/dbraw/zinc/93/23/25/366932325.db2.gz OYWKMBIYJWGAQL-UHFFFAOYSA-N -1 3 295.324 2.324 20 5 CEBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1sccc1Cl ZINC000343751136 367987324 /nfs/dbraw/zinc/98/73/24/367987324.db2.gz ONDWCGPNBBKAKE-UHFFFAOYSA-N -1 3 286.700 2.296 20 5 CEBDHM Cc1cc(C)nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000345354537 368245784 /nfs/dbraw/zinc/24/57/84/368245784.db2.gz LOGYLIPSOQGPNB-UHFFFAOYSA-N -1 3 278.293 2.315 20 5 CEBDHM CSCCO[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000279945142 375040388 /nfs/dbraw/zinc/04/03/88/375040388.db2.gz ITGAHDRLJVZHEC-UHFFFAOYSA-N -1 3 290.728 2.273 20 5 CEBDHM CSCCO[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000280049555 375072861 /nfs/dbraw/zinc/07/28/61/375072861.db2.gz PWRHBVHZAYIVJZ-UHFFFAOYSA-N -1 3 290.728 2.273 20 5 CEBDHM CCN1C[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000331352764 377395441 /nfs/dbraw/zinc/39/54/41/377395441.db2.gz ORYVHICERDYVPO-VXGBXAGGSA-N -1 3 293.367 2.215 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000293729522 377726708 /nfs/dbraw/zinc/72/67/08/377726708.db2.gz NGGDNTORLXCPSE-QMMMGPOBSA-N -1 3 270.260 2.441 20 5 CEBDHM CC(C)O[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000294034503 377879030 /nfs/dbraw/zinc/87/90/30/377879030.db2.gz IFBYYVJQHVDBBQ-UHFFFAOYSA-N -1 3 258.661 2.318 20 5 CEBDHM Cc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1[C@H]1CCOC1 ZINC000450798769 378584257 /nfs/dbraw/zinc/58/42/57/378584257.db2.gz VPZAVJVONXXYRD-QMMMGPOBSA-N -1 3 295.324 2.261 20 5 CEBDHM O=C([N-]c1ccc(OC(F)F)cn1)c1ccc([N+](=O)[O-])o1 ZINC000347724041 218334247 /nfs/dbraw/zinc/33/42/47/218334247.db2.gz PRJKHBAWSAMOBA-UHFFFAOYSA-N -1 3 299.189 2.437 20 5 CEBDHM Cc1cc([N-]C(=O)COc2ccc([N+](=O)[O-])cc2C)on1 ZINC000194613178 395443197 /nfs/dbraw/zinc/44/31/97/395443197.db2.gz WWQTWHQQYGNBKI-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM O=C([O-])C[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000038027759 174013595 /nfs/dbraw/zinc/01/35/95/174013595.db2.gz QOUXBAXOZHKLNP-LBPRGKRZSA-N -1 3 278.308 2.424 20 5 CEBDHM O=C([O-])C[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000038027531 174014203 /nfs/dbraw/zinc/01/42/03/174014203.db2.gz IKMZQFIJTRTKQZ-LBPRGKRZSA-N -1 3 278.308 2.424 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000345929374 414878010 /nfs/dbraw/zinc/87/80/10/414878010.db2.gz OTBXGDPXNRBDTI-UHFFFAOYSA-N -1 3 279.277 2.318 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)ccn2)n1 ZINC000191797150 227178919 /nfs/dbraw/zinc/17/89/19/227178919.db2.gz XUWJFWLGFBQINF-UHFFFAOYSA-N -1 3 295.686 2.112 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1snnc1C ZINC000194741755 270303389 /nfs/dbraw/zinc/30/33/89/270303389.db2.gz XZWUGCRAQOVODF-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM Cc1c(C(=O)Nc2ncccc2[O-])cccc1[N+](=O)[O-] ZINC000194833613 270304210 /nfs/dbraw/zinc/30/42/10/270304210.db2.gz SCVRFSYMEBCLSE-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ncncc1Cl ZINC000429374299 271327747 /nfs/dbraw/zinc/32/77/47/271327747.db2.gz VKOGRJZCPCCTAC-UHFFFAOYSA-N -1 3 296.645 2.430 20 5 CEBDHM Cc1conc1[N-]C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154583617 279037188 /nfs/dbraw/zinc/03/71/88/279037188.db2.gz AYSKTRJSEMKGDP-UHFFFAOYSA-N -1 3 287.235 2.020 20 5 CEBDHM C[C@H]1Cc2ccccc2N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187537817 280032172 /nfs/dbraw/zinc/03/21/72/280032172.db2.gz QXMFSGUYYQMYFU-VIFPVBQESA-N -1 3 299.286 2.287 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000104762325 301691953 /nfs/dbraw/zinc/69/19/53/301691953.db2.gz FXUMFCVXISVGII-WDEREUQCSA-N -1 3 298.364 2.370 20 5 CEBDHM CC(C)c1scnc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC000564737786 313774964 /nfs/dbraw/zinc/77/49/64/313774964.db2.gz MVYMZYBIOHTUFL-UHFFFAOYSA-N -1 3 295.324 2.161 20 5 CEBDHM CCC[C@@H](C)[C@@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000570336077 314034434 /nfs/dbraw/zinc/03/44/34/314034434.db2.gz SFDWCIZYCMGHNW-ZWNOBZJWSA-N -1 3 282.340 2.187 20 5 CEBDHM Cc1cc(NC2CCN(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576640461 314296779 /nfs/dbraw/zinc/29/67/79/314296779.db2.gz YNPXCYIXRJTHNL-UHFFFAOYSA-N -1 3 293.323 2.108 20 5 CEBDHM CCC[C@@H](NC(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355880879 528997782 /nfs/dbraw/zinc/99/77/82/528997782.db2.gz NTHINNKUACYHBA-LLVKDONJSA-N -1 3 295.339 2.406 20 5 CEBDHM CN(CC(C)(C)C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736787825 574796939 /nfs/dbraw/zinc/79/69/39/574796939.db2.gz GBXOXMNELJWPOW-UHFFFAOYSA-N -1 3 290.327 2.257 20 5 CEBDHM CN(CC(C)(C)C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736787825 574796940 /nfs/dbraw/zinc/79/69/40/574796940.db2.gz GBXOXMNELJWPOW-UHFFFAOYSA-N -1 3 290.327 2.257 20 5 CEBDHM Cc1c(CC(=O)[N-]OCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000747975694 575177061 /nfs/dbraw/zinc/17/70/61/575177061.db2.gz OJIDSJGKYVEZTJ-UHFFFAOYSA-N -1 3 292.213 2.056 20 5 CEBDHM CCN(CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000827150641 603622200 /nfs/dbraw/zinc/62/22/00/603622200.db2.gz LJGDNSUSEDILTJ-JTQLQIEISA-N -1 3 281.312 2.245 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(C(=O)[O-])C1 ZINC000830428679 604317947 /nfs/dbraw/zinc/31/79/47/604317947.db2.gz XJGQQUYGSCQHQQ-MNOVXSKESA-N -1 3 293.323 2.306 20 5 CEBDHM CC(C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820016719 606643881 /nfs/dbraw/zinc/64/38/81/606643881.db2.gz OWVDGALUCYJPIN-MRVPVSSYSA-N -1 3 276.300 2.231 20 5 CEBDHM Cc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1[N+](=O)[O-] ZINC000826300506 607867232 /nfs/dbraw/zinc/86/72/32/607867232.db2.gz XKSJHDNPYJENQJ-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1[N+](=O)[O-] ZINC000826300506 607867233 /nfs/dbraw/zinc/86/72/33/607867233.db2.gz XKSJHDNPYJENQJ-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000820478891 634424252 /nfs/dbraw/zinc/42/42/52/634424252.db2.gz OYNMQRSJUXQNMJ-UHFFFAOYSA-N -1 3 282.271 2.124 20 5 CEBDHM CCc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)c(OC)c1 ZINC000802933666 631486514 /nfs/dbraw/zinc/48/65/14/631486514.db2.gz ADXCFJMWNFHEKA-UHFFFAOYSA-N -1 3 291.263 2.108 20 5 CEBDHM CCCO[N-]C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000823609226 635229297 /nfs/dbraw/zinc/22/92/97/635229297.db2.gz UXDGCGJGPVUJNZ-UHFFFAOYSA-N -1 3 270.260 2.124 20 5 CEBDHM O=C([N-][C@@H]1C=CCC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000853825324 643912363 /nfs/dbraw/zinc/91/23/63/643912363.db2.gz JVGZJXGKCNCDBR-SECBINFHSA-N -1 3 298.245 2.401 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@]12CCC[C@H]1OCC2 ZINC000865858207 647506910 /nfs/dbraw/zinc/50/69/10/647506910.db2.gz FTWQRNPZEMWMJG-KGLIPLIRSA-N -1 3 278.308 2.102 20 5 CEBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3CCCO3)[n-]c2c1 ZINC001227744181 805970893 /nfs/dbraw/zinc/97/08/93/805970893.db2.gz DOLZITFWWOOBPE-SECBINFHSA-N -1 3 263.253 2.029 20 5 CEBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3CCCO3)nc2c1 ZINC001227744181 805970901 /nfs/dbraw/zinc/97/09/01/805970901.db2.gz DOLZITFWWOOBPE-SECBINFHSA-N -1 3 263.253 2.029 20 5 CEBDHM O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000045621582 343486471 /nfs/dbraw/zinc/48/64/71/343486471.db2.gz FTCAZMZUAWPEGK-UHFFFAOYSA-N -1 3 288.259 2.318 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000043272597 343461839 /nfs/dbraw/zinc/46/18/39/343461839.db2.gz WWAGAVGQFDQYSA-LLVKDONJSA-N -1 3 289.295 2.109 20 5 CEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[O-] ZINC000048392183 362264663 /nfs/dbraw/zinc/26/46/63/362264663.db2.gz IXXSPXHLZODWQI-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM CC(C)(CN1CCCC1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000449770830 282361437 /nfs/dbraw/zinc/36/14/37/282361437.db2.gz JDPKZRMAONSWBL-UHFFFAOYSA-N -1 3 293.367 2.264 20 5 CEBDHM CC(C)[C@H](CNCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594540245 345644964 /nfs/dbraw/zinc/64/49/64/345644964.db2.gz SUVIIISUCDISES-NSHDSACASA-N -1 3 266.297 2.041 20 5 CEBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCS1 ZINC000596163881 345956715 /nfs/dbraw/zinc/95/67/15/345956715.db2.gz SGKWQCFHGXQDHP-NSHDSACASA-N -1 3 269.326 2.393 20 5 CEBDHM CC1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596172135 345959521 /nfs/dbraw/zinc/95/95/21/345959521.db2.gz GZCLQCPSGHFQKD-MRVPVSSYSA-N -1 3 267.285 2.065 20 5 CEBDHM COCCCn1ccc([N-]c2cc(C)sc2[N+](=O)[O-])n1 ZINC000596136064 345947985 /nfs/dbraw/zinc/94/79/85/345947985.db2.gz GKLYHYGTNGMXIG-UHFFFAOYSA-N -1 3 296.352 2.363 20 5 CEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)S1 ZINC000596138768 345949309 /nfs/dbraw/zinc/94/93/09/345949309.db2.gz NLLLVQCULLENQV-HTQZYQBOSA-N -1 3 269.326 2.026 20 5 CEBDHM CO[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC000596145228 345951263 /nfs/dbraw/zinc/95/12/63/345951263.db2.gz MPPAMAGZMWQFRF-VIFPVBQESA-N -1 3 269.301 2.168 20 5 CEBDHM O=C([N-]c1cnoc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604542957 347420757 /nfs/dbraw/zinc/42/07/57/347420757.db2.gz NRIZDZKGYDTJJZ-UHFFFAOYSA-N -1 3 299.246 2.021 20 5 CEBDHM O=C([N-]c1cnoc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609861380 347653236 /nfs/dbraw/zinc/65/32/36/347653236.db2.gz BQYACRWFDUOZNU-UHFFFAOYSA-N -1 3 267.628 2.489 20 5 CEBDHM O=C1[N-]C(=O)c2cc(NCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000336849265 365925889 /nfs/dbraw/zinc/92/58/89/365925889.db2.gz AGHZHFDPSPSYFP-UHFFFAOYSA-N -1 3 297.270 2.091 20 5 CEBDHM CCOc1nc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)co1 ZINC000612422617 347883408 /nfs/dbraw/zinc/88/34/08/347883408.db2.gz IRJPCCOSOJWDTB-UHFFFAOYSA-N -1 3 277.236 2.234 20 5 CEBDHM COc1ccc([N-]C(=O)c2nccs2)c([N+](=O)[O-])c1 ZINC000618472547 348952937 /nfs/dbraw/zinc/95/29/37/348952937.db2.gz DBZZFGXWBMGZIO-UHFFFAOYSA-N -1 3 279.277 2.312 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000292292506 198233000 /nfs/dbraw/zinc/23/30/00/198233000.db2.gz UHTVCUCOGBSRDF-JTQLQIEISA-N -1 3 266.297 2.231 20 5 CEBDHM CC1(C2([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000451990412 283157145 /nfs/dbraw/zinc/15/71/45/283157145.db2.gz QCYBLEUPEVKOLM-UHFFFAOYSA-N -1 3 296.348 2.206 20 5 CEBDHM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC(C)C ZINC000297367146 200166133 /nfs/dbraw/zinc/16/61/33/200166133.db2.gz ZJWCHCWTQSWGDD-CSKARUKUSA-N -1 3 264.281 2.454 20 5 CEBDHM COc1cc(CN[C@@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1[O-] ZINC000342218539 216265194 /nfs/dbraw/zinc/26/51/94/216265194.db2.gz IPZCOZXMQIKJQL-JGVFFNPUSA-N -1 3 288.250 2.052 20 5 CEBDHM O=C([O-])[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000003756182 361289877 /nfs/dbraw/zinc/28/98/77/361289877.db2.gz YAHSRDAQQHEUPZ-GFCCVEGCSA-N -1 3 264.281 2.034 20 5 CEBDHM CCO[N-]C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116721163 365067220 /nfs/dbraw/zinc/06/72/20/365067220.db2.gz HVBACPKTBWAMQR-UHFFFAOYSA-N -1 3 288.687 2.085 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160163299 366977887 /nfs/dbraw/zinc/97/78/87/366977887.db2.gz UXBDDTRWZHXSBJ-UHFFFAOYSA-N -1 3 296.348 2.063 20 5 CEBDHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649463 368752063 /nfs/dbraw/zinc/75/20/63/368752063.db2.gz HTJFFZFGXXOBIX-GXFFZTMASA-N -1 3 296.348 2.343 20 5 CEBDHM O=C(Nc1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186852354 369057912 /nfs/dbraw/zinc/05/79/12/369057912.db2.gz QEWWPXIVYLSLTC-UHFFFAOYSA-N -1 3 277.211 2.087 20 5 CEBDHM CC(C)(C)n1cnc([N-]C(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000344050390 217028889 /nfs/dbraw/zinc/02/88/89/217028889.db2.gz OUIJAVHATQZLRX-UHFFFAOYSA-N -1 3 289.295 2.194 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000344808929 217317264 /nfs/dbraw/zinc/31/72/64/217317264.db2.gz LHQPULKLZXJKFU-LBPRGKRZSA-N -1 3 298.364 2.370 20 5 CEBDHM CSCCON=C([O-])Nc1cc([N+](=O)[O-])ccc1C ZINC000279777969 374984732 /nfs/dbraw/zinc/98/47/32/374984732.db2.gz BSWFUXCFVCOYQM-UHFFFAOYSA-N -1 3 285.325 2.319 20 5 CEBDHM CSCCO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000279777969 374984736 /nfs/dbraw/zinc/98/47/36/374984736.db2.gz BSWFUXCFVCOYQM-UHFFFAOYSA-N -1 3 285.325 2.319 20 5 CEBDHM CSCCO[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000279852304 375010959 /nfs/dbraw/zinc/01/09/59/375010959.db2.gz CKPHRECYMKMGGE-UHFFFAOYSA-N -1 3 290.728 2.273 20 5 CEBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000330446596 377137492 /nfs/dbraw/zinc/13/74/92/377137492.db2.gz XYEBRGZQPZBPOV-NSHDSACASA-N -1 3 280.324 2.159 20 5 CEBDHM CCN1C[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330452325 377138990 /nfs/dbraw/zinc/13/89/90/377138990.db2.gz KSYZWENKGJKWGL-NWDGAFQWSA-N -1 3 293.367 2.215 20 5 CEBDHM CCN1C[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330452326 377139303 /nfs/dbraw/zinc/13/93/03/377139303.db2.gz KSYZWENKGJKWGL-RYUDHWBXSA-N -1 3 293.367 2.215 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000330959018 377212929 /nfs/dbraw/zinc/21/29/29/377212929.db2.gz XASHZTUSBBRVTR-NSHDSACASA-N -1 3 296.348 2.290 20 5 CEBDHM CC(C)(CCC(=O)Nc1ccccc1[O-])[N+](=O)[O-] ZINC000294510772 249364375 /nfs/dbraw/zinc/36/43/75/249364375.db2.gz KXKCLCRFLHLRDH-UHFFFAOYSA-N -1 3 252.270 2.166 20 5 CEBDHM C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000565303029 377634253 /nfs/dbraw/zinc/63/42/53/377634253.db2.gz KRCPUSVWKBKIBT-ZWNOBZJWSA-N -1 3 278.308 2.137 20 5 CEBDHM CSCCO[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492022803 380422922 /nfs/dbraw/zinc/42/29/22/380422922.db2.gz WWPNEUQHIBKGPA-DAXSKMNVSA-N -1 3 282.321 2.019 20 5 CEBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cccs1 ZINC000048670936 394520900 /nfs/dbraw/zinc/52/09/00/394520900.db2.gz KFRMLBYVARCQBU-UHFFFAOYSA-N -1 3 298.345 2.135 20 5 CEBDHM O=[N+]([O-])c1c(NCc2ncccc2[O-])nc2sccn21 ZINC000359893659 155162545 /nfs/dbraw/zinc/16/25/45/155162545.db2.gz BTVRPIFEAYFTMS-UHFFFAOYSA-N -1 3 291.292 2.017 20 5 CEBDHM CC(C)C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000261811635 153848262 /nfs/dbraw/zinc/84/82/62/153848262.db2.gz SIDIZFMVXKRJDL-LBPRGKRZSA-N -1 3 284.287 2.323 20 5 CEBDHM CCC[C@@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000517750863 260115657 /nfs/dbraw/zinc/11/56/57/260115657.db2.gz TVZPIBICRLIZFQ-LBPRGKRZSA-N -1 3 266.297 2.280 20 5 CEBDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000195213977 270307020 /nfs/dbraw/zinc/30/70/20/270307020.db2.gz LDPQLQCDKGKYBG-SNVBAGLBSA-N -1 3 286.353 2.452 20 5 CEBDHM C[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000211473015 280206919 /nfs/dbraw/zinc/20/69/19/280206919.db2.gz PACMWJBZUYSBLS-MWLCHTKSSA-N -1 3 293.323 2.188 20 5 CEBDHM Cc1csc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000269314276 281736635 /nfs/dbraw/zinc/73/66/35/281736635.db2.gz AXRVKMQTJNAOEQ-UHFFFAOYSA-N -1 3 295.324 2.459 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000127736315 302049882 /nfs/dbraw/zinc/04/98/82/302049882.db2.gz WAVDBUHYEFAVKM-NSHDSACASA-N -1 3 296.348 2.290 20 5 CEBDHM CCO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182940897 520233235 /nfs/dbraw/zinc/23/32/35/520233235.db2.gz OBHBLNLYOIAGBL-UHFFFAOYSA-N -1 3 291.210 2.269 20 5 CEBDHM Cc1c(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000263110672 525709629 /nfs/dbraw/zinc/70/96/29/525709629.db2.gz BSHMCHXHQXQQHP-GWCFXTLKSA-N -1 3 292.335 2.446 20 5 CEBDHM CC(C)(CCC(=O)[O-])NCc1csc([N+](=O)[O-])c1 ZINC000736319788 574782529 /nfs/dbraw/zinc/78/25/29/574782529.db2.gz HXFSIUYHFRXSGJ-UHFFFAOYSA-N -1 3 272.326 2.389 20 5 CEBDHM CC[C@H](C)[C@H](NCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000820465714 598187712 /nfs/dbraw/zinc/18/77/12/598187712.db2.gz RRSYLQQQDGVITI-UFBFGSQYSA-N -1 3 284.287 2.323 20 5 CEBDHM O=[N+]([O-])c1cc(NCC2CCCC2)ccc1-c1nnn[n-]1 ZINC000823634450 607347428 /nfs/dbraw/zinc/34/74/28/607347428.db2.gz FUNUMFPIXQADHA-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM C[C@@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820683686 606876627 /nfs/dbraw/zinc/87/66/27/606876627.db2.gz FTCVRVSZYBROCM-RKDXNWHRSA-N -1 3 288.311 2.152 20 5 CEBDHM C[C@@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820683686 606876626 /nfs/dbraw/zinc/87/66/26/606876626.db2.gz FTCVRVSZYBROCM-RKDXNWHRSA-N -1 3 288.311 2.152 20 5 CEBDHM COCCN(CCC(=O)[O-])[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903711966 635243127 /nfs/dbraw/zinc/24/31/27/635243127.db2.gz RBLNSWGYPZBJKN-NSHDSACASA-N -1 3 296.323 2.079 20 5 CEBDHM O=c1ccnc(C=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1 ZINC000766033998 645838280 /nfs/dbraw/zinc/83/82/80/645838280.db2.gz PACGTXXXXIETCU-DUXPYHPUSA-N -1 3 288.219 2.169 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCCC[C@@H]2F)c1[N+](=O)[O-] ZINC000866045254 647584389 /nfs/dbraw/zinc/58/43/89/647584389.db2.gz JHHVUSRTRTYLPE-JGVFFNPUSA-N -1 3 255.249 2.388 20 5 CEBDHM Cc1c([N-]C(=O)c2ncccn2)c(F)ccc1[N+](=O)[O-] ZINC000800152142 652663952 /nfs/dbraw/zinc/66/39/52/652663952.db2.gz RMJOPTYWXUJHMQ-UHFFFAOYSA-N -1 3 276.227 2.085 20 5 CEBDHM CCC(CC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337852663 214286865 /nfs/dbraw/zinc/28/68/65/214286865.db2.gz SQILVODGUPEVEC-UHFFFAOYSA-N -1 3 286.353 2.370 20 5 CEBDHM COc1ccc([N-]C(=O)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000060514651 343659797 /nfs/dbraw/zinc/65/97/97/343659797.db2.gz CTPSGIXPWUSBIL-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM Cc1cc(NCC2(N(C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567978064 299103369 /nfs/dbraw/zinc/10/33/69/299103369.db2.gz VJVCVILAUVNDRX-UHFFFAOYSA-N -1 3 293.323 2.108 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000227826236 344556937 /nfs/dbraw/zinc/55/69/37/344556937.db2.gz QDSDIQJAWRKWQH-YGRLFVJLSA-N -1 3 278.308 2.452 20 5 CEBDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccccc1[N+](=O)[O-] ZINC000592950352 345416323 /nfs/dbraw/zinc/41/63/23/345416323.db2.gz NXNACIAVVXVWNP-UHFFFAOYSA-N -1 3 288.307 2.424 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C(C)C)n2)c1 ZINC000593232282 345456683 /nfs/dbraw/zinc/45/66/83/345456683.db2.gz MMQFIVLCWYKKFY-UHFFFAOYSA-N -1 3 289.295 2.328 20 5 CEBDHM C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000594541702 345645363 /nfs/dbraw/zinc/64/53/63/345645363.db2.gz XHHKEFXQFNFFDF-SSDOTTSWSA-N -1 3 272.688 2.059 20 5 CEBDHM CC[C@@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596160234 345955698 /nfs/dbraw/zinc/95/56/98/345955698.db2.gz BLNDBMBMPYAJHR-LBPRGKRZSA-N -1 3 251.286 2.322 20 5 CEBDHM CCCc1nnc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596167889 345958340 /nfs/dbraw/zinc/95/83/40/345958340.db2.gz HWAZFVUTXCEFFV-UHFFFAOYSA-N -1 3 282.281 2.182 20 5 CEBDHM O=c1[n-]ccc(NCCCOC2CCCC2)c1[N+](=O)[O-] ZINC000596096887 345939202 /nfs/dbraw/zinc/93/92/02/345939202.db2.gz KIUJBQKNXSFYJX-UHFFFAOYSA-N -1 3 281.312 2.457 20 5 CEBDHM CC(C)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596141626 345950020 /nfs/dbraw/zinc/95/00/20/345950020.db2.gz ICPMNAUTRUQEJP-SNVBAGLBSA-N -1 3 283.353 2.273 20 5 CEBDHM CC1(C(=O)[O-])CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000062844333 362723804 /nfs/dbraw/zinc/72/38/04/362723804.db2.gz HQQBYKPPGRLECZ-UHFFFAOYSA-N -1 3 278.308 2.282 20 5 CEBDHM C/C=C\C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000599474963 346525806 /nfs/dbraw/zinc/52/58/06/346525806.db2.gz FJKUPOOGGGXSLF-PLNGDYQASA-N -1 3 284.337 2.066 20 5 CEBDHM COc1cc(CNCC(C)(C)F)c([N+](=O)[O-])cc1[O-] ZINC000601137408 346766286 /nfs/dbraw/zinc/76/62/86/346766286.db2.gz XHXXROIDIPUQGU-UHFFFAOYSA-N -1 3 272.276 2.147 20 5 CEBDHM Cn1nc([N-]c2ccsc2[N+](=O)[O-])cc1C1CC1 ZINC000601165554 346774266 /nfs/dbraw/zinc/77/42/66/346774266.db2.gz DKQOLLQXNQLJKF-UHFFFAOYSA-N -1 3 264.310 2.433 20 5 CEBDHM CCc1cc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)no1 ZINC000610075723 347659414 /nfs/dbraw/zinc/65/94/14/347659414.db2.gz OGGJFQBCMVNLTC-UHFFFAOYSA-N -1 3 295.682 2.473 20 5 CEBDHM O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2ccc([O-])cc21 ZINC000091301709 180128628 /nfs/dbraw/zinc/12/86/28/180128628.db2.gz STJBRZOBXWSBGX-UHFFFAOYSA-N -1 3 283.243 2.204 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1CC(=O)[O-] ZINC000579364897 366634802 /nfs/dbraw/zinc/63/48/02/366634802.db2.gz DVVRBCBGXBGVAQ-NSHDSACASA-N -1 3 294.307 2.043 20 5 CEBDHM C[C@H](CO)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000339108620 366657247 /nfs/dbraw/zinc/65/72/47/366657247.db2.gz QXNBNNSIVFBCFQ-LLVKDONJSA-N -1 3 294.351 2.426 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)[O-])CC1 ZINC000086727869 363838705 /nfs/dbraw/zinc/83/87/05/363838705.db2.gz VSCYIYIYRQBIJW-JTQLQIEISA-N -1 3 278.308 2.452 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000112708090 364833051 /nfs/dbraw/zinc/83/30/51/364833051.db2.gz RVGIHPIHQUAMHH-JTQLQIEISA-N -1 3 298.364 2.370 20 5 CEBDHM O=C([N-]OCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000162955605 367207396 /nfs/dbraw/zinc/20/73/96/367207396.db2.gz ZEKGUMUIIWWOPY-UHFFFAOYSA-N -1 3 296.176 2.348 20 5 CEBDHM O=C([N-]c1nc2ccsc2s1)c1n[nH]cc1[N+](=O)[O-] ZINC000343667479 367945490 /nfs/dbraw/zinc/94/54/90/367945490.db2.gz LCXDGEIUOSLSBW-UHFFFAOYSA-N -1 3 295.305 2.241 20 5 CEBDHM O=C(Nc1ccc2[nH]ccc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186866112 369059050 /nfs/dbraw/zinc/05/90/50/369059050.db2.gz VVSLYUFLWYKCII-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000350574223 369551106 /nfs/dbraw/zinc/55/11/06/369551106.db2.gz GQWTUEWBJXXXGS-UHFFFAOYSA-N -1 3 272.220 2.346 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2F)n1 ZINC000191451861 369715630 /nfs/dbraw/zinc/71/56/30/369715630.db2.gz QHCVINVVNBSUPT-UHFFFAOYSA-N -1 3 296.233 2.342 20 5 CEBDHM O=C(NCc1ncccc1[O-])Nc1ccc([N+](=O)[O-])cc1 ZINC000344055933 217030692 /nfs/dbraw/zinc/03/06/92/217030692.db2.gz AGYCTWJFLJVJSH-UHFFFAOYSA-N -1 3 288.263 2.017 20 5 CEBDHM Cc1nccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000344895287 217347284 /nfs/dbraw/zinc/34/72/84/217347284.db2.gz MRMAFUFBOZPISR-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000416557493 376092755 /nfs/dbraw/zinc/09/27/55/376092755.db2.gz ZPQVRAFLKPBLAU-WDEREUQCSA-N -1 3 298.364 2.226 20 5 CEBDHM O=C([N-]c1ncccn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000346758750 218007876 /nfs/dbraw/zinc/00/78/76/218007876.db2.gz CILXSTBZLCEHIG-UHFFFAOYSA-N -1 3 278.655 2.291 20 5 CEBDHM Cc1ncc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000346801729 218019487 /nfs/dbraw/zinc/01/94/87/218019487.db2.gz CEWXKBWMJIMDKY-SECBINFHSA-N -1 3 288.307 2.250 20 5 CEBDHM CC(C)CO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000311252062 394536815 /nfs/dbraw/zinc/53/68/15/394536815.db2.gz WFCKHZKCAXBYFK-FPLPWBNLSA-N -1 3 264.281 2.312 20 5 CEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CC12CC2 ZINC000422119344 394679291 /nfs/dbraw/zinc/67/92/91/394679291.db2.gz KAIDADSTMWOGCG-NSHDSACASA-N -1 3 298.302 2.145 20 5 CEBDHM COc1c(C(=O)[N-]c2c(C)noc2C)cccc1[N+](=O)[O-] ZINC000355268994 395390016 /nfs/dbraw/zinc/39/00/16/395390016.db2.gz BVPNFVCVLWCVGH-UHFFFAOYSA-N -1 3 291.263 2.461 20 5 CEBDHM COCc1nc(Sc2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000354414002 395331217 /nfs/dbraw/zinc/33/12/17/395331217.db2.gz FDFIXPPBXVQGPA-UHFFFAOYSA-N -1 3 284.272 2.150 20 5 CEBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000360351795 155278042 /nfs/dbraw/zinc/27/80/42/155278042.db2.gz JKIXCGQQGYMSCU-WDEREUQCSA-N -1 3 298.364 2.309 20 5 CEBDHM Cc1conc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000179135616 165270623 /nfs/dbraw/zinc/27/06/23/165270623.db2.gz CJAYURIBCNDKTE-UHFFFAOYSA-N -1 3 253.239 2.205 20 5 CEBDHM Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c([O-])c1 ZINC000180592290 165318191 /nfs/dbraw/zinc/31/81/91/165318191.db2.gz VMDDQMLRCLWYLJ-UHFFFAOYSA-N -1 3 287.275 2.443 20 5 CEBDHM O=C(/C=C/c1cncc([O-])c1)NCc1ccccc1[N+](=O)[O-] ZINC000179435124 260048700 /nfs/dbraw/zinc/04/87/00/260048700.db2.gz JJYFRRYXXHNPEY-AATRIKPKSA-N -1 3 299.286 2.025 20 5 CEBDHM Nc1c(C(=O)Nc2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000133601216 280000924 /nfs/dbraw/zinc/00/09/24/280000924.db2.gz RDBWQWZFDCNGIX-UHFFFAOYSA-N -1 3 273.248 2.135 20 5 CEBDHM O=C([O-])[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000003756176 280071159 /nfs/dbraw/zinc/07/11/59/280071159.db2.gz JSMQXKIDAJNTOW-LBPRGKRZSA-N -1 3 264.281 2.034 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OCc1cccnc1 ZINC000152431104 289088371 /nfs/dbraw/zinc/08/83/71/289088371.db2.gz DARUOTFTTQWDOX-VOTSOKGWSA-N -1 3 299.286 2.251 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000104762334 301691856 /nfs/dbraw/zinc/69/18/56/301691856.db2.gz FXUMFCVXISVGII-GHMZBOCLSA-N -1 3 298.364 2.370 20 5 CEBDHM CSc1ccccc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548740728 313570782 /nfs/dbraw/zinc/57/07/82/313570782.db2.gz LLEAXHIOJQTSET-UHFFFAOYSA-N -1 3 278.293 2.292 20 5 CEBDHM Cc1nnc([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)s1 ZINC000049175214 526368751 /nfs/dbraw/zinc/36/87/51/526368751.db2.gz CRYBHKWPESJUFW-UHFFFAOYSA-N -1 3 278.293 2.315 20 5 CEBDHM C[C@@](NCc1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])C1CC1 ZINC000827735504 601040085 /nfs/dbraw/zinc/04/00/85/601040085.db2.gz WFHJZZVKLHUINF-ZDUSSCGKSA-N -1 3 282.271 2.077 20 5 CEBDHM O=C([O-])CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000901971658 634389456 /nfs/dbraw/zinc/38/94/56/634389456.db2.gz NLCSQUZEXSQKOK-UHFFFAOYSA-N -1 3 284.699 2.297 20 5 CEBDHM CC1(C)CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000897253389 631019476 /nfs/dbraw/zinc/01/94/76/631019476.db2.gz BMZAHZHGNCVXIQ-SECBINFHSA-N -1 3 281.312 2.455 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000830094634 636981086 /nfs/dbraw/zinc/98/10/86/636981086.db2.gz SNXOZXLSDZYXIN-SNVBAGLBSA-N -1 3 296.323 2.146 20 5 CEBDHM COc1cccc(C(=O)[N-]c2cc(C)on2)c1[N+](=O)[O-] ZINC000767470690 645996173 /nfs/dbraw/zinc/99/61/73/645996173.db2.gz YGSROYOOSSZZGZ-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM O=c1ccnc(C=Cc2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000777920606 647190333 /nfs/dbraw/zinc/19/03/33/647190333.db2.gz YIRQPQRZJGLHPL-DUXPYHPUSA-N -1 3 261.212 2.400 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868523646 648157364 /nfs/dbraw/zinc/15/73/64/648157364.db2.gz YXEKVAFVOYRRPI-VIFPVBQESA-N -1 3 284.287 2.370 20 5 CEBDHM CN(C)c1nc(Nc2cc([N+](=O)[O-])ccc2F)cc(=O)[n-]1 ZINC001175734299 816271772 /nfs/dbraw/zinc/27/17/72/816271772.db2.gz PNGOXXBBGJQGDZ-UHFFFAOYSA-N -1 3 293.258 2.039 20 5 CEBDHM NC(=O)c1ccc(Nc2cc([N+](=O)[O-])ccc2F)cc1[O-] ZINC001175736892 816271876 /nfs/dbraw/zinc/27/18/76/816271876.db2.gz FEWAMEGVOWMVME-UHFFFAOYSA-N -1 3 291.238 2.282 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000492808302 290655324 /nfs/dbraw/zinc/65/53/24/290655324.db2.gz NMXUGGLJJXZLFP-FPLPWBNLSA-N -1 3 262.265 2.066 20 5 CEBDHM COc1cc(CNC2CC(C)(F)C2)c([N+](=O)[O-])cc1[O-] ZINC000449371303 282203805 /nfs/dbraw/zinc/20/38/05/282203805.db2.gz STWGQDWPRHAMOC-UHFFFAOYSA-N -1 3 284.287 2.289 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1CC(=O)[O-] ZINC000042163188 362064248 /nfs/dbraw/zinc/06/42/48/362064248.db2.gz SYWSVIKBEUMPSQ-NSHDSACASA-N -1 3 294.307 2.043 20 5 CEBDHM C[C@H](O)C[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093482060 344225366 /nfs/dbraw/zinc/22/53/66/344225366.db2.gz ZQABMDDBNVOEGN-JQWIXIFHSA-N -1 3 280.324 2.036 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H](C)C(=O)[O-] ZINC000251125335 344635492 /nfs/dbraw/zinc/63/54/92/344635492.db2.gz SEVBJURILQFVLQ-VHSXEESVSA-N -1 3 266.297 2.308 20 5 CEBDHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc([N+](=O)[O-])c1 ZINC000397325742 344851044 /nfs/dbraw/zinc/85/10/44/344851044.db2.gz AERZKRXQYPCDSF-CMPLNLGQSA-N -1 3 278.308 2.280 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CNC1(CCO)CCCC1 ZINC000586780971 345021341 /nfs/dbraw/zinc/02/13/41/345021341.db2.gz GVKZMWMKANWJJM-UHFFFAOYSA-N -1 3 280.324 2.085 20 5 CEBDHM O=C([O-])[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593755187 345533365 /nfs/dbraw/zinc/53/33/65/345533365.db2.gz HOYZEMRSULVCHP-QWHCGFSZSA-N -1 3 290.319 2.137 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CCCCS2)c1[N+](=O)[O-] ZINC000596191213 345965484 /nfs/dbraw/zinc/96/54/84/345965484.db2.gz LCMMEBILLHSQCR-MRVPVSSYSA-N -1 3 269.326 2.393 20 5 CEBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC[C@H]1O ZINC000596149585 345952863 /nfs/dbraw/zinc/95/28/63/345952863.db2.gz NYVPUUYUVQLRRO-MFKMUULPSA-N -1 3 281.312 2.049 20 5 CEBDHM COC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000596196383 345967230 /nfs/dbraw/zinc/96/72/30/345967230.db2.gz MQSLAFRYOIRSSB-UHFFFAOYSA-N -1 3 281.312 2.457 20 5 CEBDHM C[C@]12CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000596238374 345977383 /nfs/dbraw/zinc/97/73/83/345977383.db2.gz RARFNVBFVHUEHS-KCJUWKMLSA-N -1 3 285.250 2.177 20 5 CEBDHM C[C@@H]1C[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596193723 345966819 /nfs/dbraw/zinc/96/68/19/345966819.db2.gz NAQKOLZBUDLKQI-NXEZZACHSA-N -1 3 281.312 2.313 20 5 CEBDHM O=C([O-])[C@H](CNCc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000596656512 346073536 /nfs/dbraw/zinc/07/35/36/346073536.db2.gz DXYDGUBVMMPALH-SNVBAGLBSA-N -1 3 284.337 2.247 20 5 CEBDHM C/C=C/C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000599475293 346525724 /nfs/dbraw/zinc/52/57/24/346525724.db2.gz LJBLBGNFTPZLKQ-SNAWJCMRSA-N -1 3 284.337 2.066 20 5 CEBDHM O=c1[nH][n-]cc1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601195922 346784352 /nfs/dbraw/zinc/78/43/52/346784352.db2.gz VZYQDLZAJFJLQS-QMMMGPOBSA-N -1 3 296.714 2.172 20 5 CEBDHM O=c1[n-]ccc(N[C@H](C2CCC2)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000601250747 346801963 /nfs/dbraw/zinc/80/19/63/346801963.db2.gz QUUCBXKNCOYWMB-VXGBXAGGSA-N -1 3 293.323 2.455 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OC/C=C/Cl ZINC000493451112 290822001 /nfs/dbraw/zinc/82/20/01/290822001.db2.gz MHZJLNBAPGVPSN-XSWNDEFRSA-N -1 3 282.683 2.408 20 5 CEBDHM Cn1c(C(=O)Nc2ccc([O-])cc2F)ccc1[N+](=O)[O-] ZINC000070333237 363072992 /nfs/dbraw/zinc/07/29/92/363072992.db2.gz JNVSIEZUZIYAEK-UHFFFAOYSA-N -1 3 279.227 2.030 20 5 CEBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000089393850 363958831 /nfs/dbraw/zinc/95/88/31/363958831.db2.gz UMWFTTZRQMMKFO-UHFFFAOYSA-N -1 3 290.279 2.409 20 5 CEBDHM Cc1ncoc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000356667020 370790682 /nfs/dbraw/zinc/79/06/82/370790682.db2.gz HTFZQJAMILLYKC-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM Cc1cc(F)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186858042 369058477 /nfs/dbraw/zinc/05/84/77/369058477.db2.gz ZDJSCEJQLQROCP-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000332001693 204376367 /nfs/dbraw/zinc/37/63/67/204376367.db2.gz ROOUJFWPPBGISM-GHMZBOCLSA-N -1 3 298.364 2.288 20 5 CEBDHM O=C([N-]CCc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)F ZINC000270397904 372771573 /nfs/dbraw/zinc/77/15/73/372771573.db2.gz ARDNIKTXOPWPHN-UHFFFAOYSA-N -1 3 294.204 2.154 20 5 CEBDHM COc1ccc(NC(=O)[N-]OCC(C)C)cc1[N+](=O)[O-] ZINC000272838008 373674086 /nfs/dbraw/zinc/67/40/86/373674086.db2.gz NZRGISBOJCSVEE-UHFFFAOYSA-N -1 3 283.284 2.313 20 5 CEBDHM COCCCO[N-]C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000287650351 376284404 /nfs/dbraw/zinc/28/44/04/376284404.db2.gz CGSICQKTRFHMHX-ZHACJKMWSA-N -1 3 294.307 2.082 20 5 CEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000332028288 377497699 /nfs/dbraw/zinc/49/76/99/377497699.db2.gz WUWBELWCMZRBFF-GHMZBOCLSA-N -1 3 298.364 2.288 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)c1C ZINC000332190824 377537662 /nfs/dbraw/zinc/53/76/62/377537662.db2.gz QNXZEPHUSXSXEB-GXSJLCMTSA-N -1 3 298.364 2.146 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@]2(CCOC2)C1 ZINC000449689095 378220296 /nfs/dbraw/zinc/22/02/96/378220296.db2.gz XTYPPUQGYOKFJA-OAHLLOKOSA-N -1 3 292.335 2.303 20 5 CEBDHM O=c1[n-]c(Cc2ccc([N+](=O)[O-])cc2)nc2cccnc12 ZINC000491855208 380361819 /nfs/dbraw/zinc/36/18/19/380361819.db2.gz VMVFSNBESPAKMA-UHFFFAOYSA-N -1 3 282.259 2.229 20 5 CEBDHM CSCCO[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492019717 380421462 /nfs/dbraw/zinc/42/14/62/380421462.db2.gz PFEOWNHCNCKXDT-AATRIKPKSA-N -1 3 282.321 2.019 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OC1CCC1 ZINC000493065033 380784228 /nfs/dbraw/zinc/78/42/28/380784228.db2.gz PDPMDPWBUUXDLU-CMDGGOBGSA-N -1 3 262.265 2.208 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]C2CCCC2)c([N+](=O)[O-])c1 ZINC000330409282 394606523 /nfs/dbraw/zinc/60/65/23/394606523.db2.gz KCYJMVCFRLJAJC-UHFFFAOYSA-N -1 3 284.337 2.124 20 5 CEBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCCN1 ZINC000423742492 394974218 /nfs/dbraw/zinc/97/42/18/394974218.db2.gz LKWMPOAIAPPQQN-MRVPVSSYSA-N -1 3 299.714 2.034 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ncccc1[O-] ZINC000009095046 170363668 /nfs/dbraw/zinc/36/36/68/170363668.db2.gz IINZVCNSISWVRH-VOTSOKGWSA-N -1 3 285.259 2.347 20 5 CEBDHM COc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2C)on1 ZINC000154588602 289149841 /nfs/dbraw/zinc/14/98/41/289149841.db2.gz DGSXDPZCQMAIFB-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000567369112 299058803 /nfs/dbraw/zinc/05/88/03/299058803.db2.gz QVYPLEJARUXWSM-SNVBAGLBSA-N -1 3 278.308 2.422 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC1(C)C ZINC000344817315 302048114 /nfs/dbraw/zinc/04/81/14/302048114.db2.gz WYXJTASPLXDWMZ-LLVKDONJSA-N -1 3 298.364 2.370 20 5 CEBDHM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000054522246 527654797 /nfs/dbraw/zinc/65/47/97/527654797.db2.gz PSUZZAHTFULYSK-NSHDSACASA-N -1 3 284.699 2.201 20 5 CEBDHM CN(C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739665920 574930085 /nfs/dbraw/zinc/93/00/85/574930085.db2.gz OPUXRNRHMUERKL-LBPRGKRZSA-N -1 3 293.323 2.027 20 5 CEBDHM CC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820989335 606725658 /nfs/dbraw/zinc/72/56/58/606725658.db2.gz QPYWVNCRSDSNIC-VIFPVBQESA-N -1 3 288.311 2.011 20 5 CEBDHM CC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820989335 606725660 /nfs/dbraw/zinc/72/56/60/606725660.db2.gz QPYWVNCRSDSNIC-VIFPVBQESA-N -1 3 288.311 2.011 20 5 CEBDHM Cc1cc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c([N+](=O)[O-])s1 ZINC000894373200 629403130 /nfs/dbraw/zinc/40/31/30/629403130.db2.gz QJEFFHFCDMPLNL-QMMMGPOBSA-N -1 3 294.336 2.387 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000894374208 629404733 /nfs/dbraw/zinc/40/47/33/629404733.db2.gz GCRRMHAKTSHETE-SNVBAGLBSA-N -1 3 288.307 2.326 20 5 CEBDHM CC[C@]1(C(=O)[O-])CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000923470206 643724995 /nfs/dbraw/zinc/72/49/95/643724995.db2.gz FIQSIGPQEKSILX-AWEZNQCLSA-N -1 3 293.323 2.067 20 5 CEBDHM Cc1cc(=O)[n-]c(CSc2ccc([N+](=O)[O-])cn2)n1 ZINC000772860727 646680196 /nfs/dbraw/zinc/68/01/96/646680196.db2.gz FEZZULHAVSCXDP-UHFFFAOYSA-N -1 3 278.293 2.086 20 5 CEBDHM O=c1[n-]ccc(N[C@H](C2CCC2)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000866140138 647626348 /nfs/dbraw/zinc/62/63/48/647626348.db2.gz AIWRFAITTXYBBP-CMPLNLGQSA-N -1 3 293.323 2.313 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000868522711 648156369 /nfs/dbraw/zinc/15/63/69/648156369.db2.gz LYCUKZOOGIAPPU-MRVPVSSYSA-N -1 3 270.260 2.441 20 5 CEBDHM O=C([O-])[C@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000874053907 649743522 /nfs/dbraw/zinc/74/35/22/649743522.db2.gz PWYJQOHFPFCBGN-GVJMRKKJSA-N -1 3 284.699 2.201 20 5 CEBDHM COc1nscc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001176768605 816474844 /nfs/dbraw/zinc/47/48/44/816474844.db2.gz FKNACCHPADVTFH-UHFFFAOYSA-N -1 3 297.267 2.451 20 5 CEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601280284 346811528 /nfs/dbraw/zinc/81/15/28/346811528.db2.gz FCFKYYOXKGETGC-ZCFIWIBFSA-N -1 3 278.355 2.042 20 5 CEBDHM CC/C=C\C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601427637 346836402 /nfs/dbraw/zinc/83/64/02/346836402.db2.gz FGMQEVYPTGBQGB-PLNGDYQASA-N -1 3 290.366 2.209 20 5 CEBDHM Cc1cnc([N-]c2cnn(-c3ncccn3)c2)c([N+](=O)[O-])c1 ZINC000078665820 343960917 /nfs/dbraw/zinc/96/09/17/343960917.db2.gz PQCCDKMEERWLRM-UHFFFAOYSA-N -1 3 297.278 2.018 20 5 CEBDHM C[C@@H](O)C[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093482063 344225416 /nfs/dbraw/zinc/22/54/16/344225416.db2.gz ZQABMDDBNVOEGN-ZYHUDNBSSA-N -1 3 280.324 2.036 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]CCC2CC2)cc1[N+](=O)[O-] ZINC000124785655 344316762 /nfs/dbraw/zinc/31/67/62/344316762.db2.gz NPZUKYHUPRZHAY-UHFFFAOYSA-N -1 3 290.366 2.043 20 5 CEBDHM O=C([O-])C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000054300335 362524298 /nfs/dbraw/zinc/52/42/98/362524298.db2.gz XCTFTNFYJDDPRE-NSHDSACASA-N -1 3 278.308 2.282 20 5 CEBDHM Cc1cccc(C(=O)[N-]c2ncn(C(C)C)n2)c1[N+](=O)[O-] ZINC000593229794 345455961 /nfs/dbraw/zinc/45/59/61/345455961.db2.gz LFCKJJOYHNBWLX-UHFFFAOYSA-N -1 3 289.295 2.328 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000594806559 345688274 /nfs/dbraw/zinc/68/82/74/345688274.db2.gz ZDGQAVDWAMGKNJ-ZWNOBZJWSA-N -1 3 296.348 2.124 20 5 CEBDHM O=c1[n-]ccc(NCC2(CCO)CCCCC2)c1[N+](=O)[O-] ZINC000596154827 345953968 /nfs/dbraw/zinc/95/39/68/345953968.db2.gz NGNNDZJINOXTFH-UHFFFAOYSA-N -1 3 295.339 2.440 20 5 CEBDHM C[C@@H]1CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000596181027 345961868 /nfs/dbraw/zinc/96/18/68/345961868.db2.gz VWTOUNMRTIIFJU-HTQZYQBOSA-N -1 3 267.285 2.063 20 5 CEBDHM CC(C)[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596185412 345963479 /nfs/dbraw/zinc/96/34/79/345963479.db2.gz RITGBYZBCCYTNL-KOLCDFICSA-N -1 3 281.312 2.311 20 5 CEBDHM O=c1[n-]ccc(NCCCC(F)(F)F)c1[N+](=O)[O-] ZINC000596144598 345950956 /nfs/dbraw/zinc/95/09/56/345950956.db2.gz LCIUMDCKPMOYAX-UHFFFAOYSA-N -1 3 265.191 2.450 20 5 CEBDHM O=c1[n-]ccc(NCCC(F)(F)F)c1[N+](=O)[O-] ZINC000596144268 345951284 /nfs/dbraw/zinc/95/12/84/345951284.db2.gz FYAYMRNEXWMOSU-UHFFFAOYSA-N -1 3 251.164 2.060 20 5 CEBDHM CCc1cnc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596149118 345952757 /nfs/dbraw/zinc/95/27/57/345952757.db2.gz PPJVNFFMKLWJKS-UHFFFAOYSA-N -1 3 294.336 2.351 20 5 CEBDHM C[C@H]1SCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596291864 345992918 /nfs/dbraw/zinc/99/29/18/345992918.db2.gz KWNNDCWWNGDNJS-RNFRBKRXSA-N -1 3 255.299 2.001 20 5 CEBDHM O=C([O-])[C@H](CNCc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000596658511 346073968 /nfs/dbraw/zinc/07/39/68/346073968.db2.gz SISRBSLRKHLTCA-GFCCVEGCSA-N -1 3 296.298 2.324 20 5 CEBDHM CO[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000611984179 347831533 /nfs/dbraw/zinc/83/15/33/347831533.db2.gz PDLCLODNCKEJJI-ZDUSSCGKSA-N -1 3 280.324 2.301 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774726 179327972 /nfs/dbraw/zinc/32/79/72/179327972.db2.gz JANGLVJJJZFDCZ-SCVCMEIPSA-N -1 3 278.308 2.308 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ccncc1F ZINC000123109982 187071802 /nfs/dbraw/zinc/07/18/02/187071802.db2.gz CGHDMBKPPRZWSC-UHFFFAOYSA-N -1 3 291.238 2.390 20 5 CEBDHM CO[C@@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339091996 366649383 /nfs/dbraw/zinc/64/93/83/366649383.db2.gz RAVVFUNZUGHZPD-TZMCWYRMSA-N -1 3 280.324 2.348 20 5 CEBDHM CCCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000582008375 366849141 /nfs/dbraw/zinc/84/91/41/366849141.db2.gz KVKVQILFLKNVTC-UHFFFAOYSA-N -1 3 296.323 2.290 20 5 CEBDHM Cn1c(C(=O)Nc2cc(F)ccc2[O-])ccc1[N+](=O)[O-] ZINC000340329859 366852414 /nfs/dbraw/zinc/85/24/14/366852414.db2.gz MGODRLNCJYNSMQ-UHFFFAOYSA-N -1 3 279.227 2.030 20 5 CEBDHM CCc1[nH]nc(C(=O)[N-]c2nc(C)c(C)s2)c1[N+](=O)[O-] ZINC000171371739 367529990 /nfs/dbraw/zinc/52/99/90/367529990.db2.gz HVRDFEWZKSHQHD-UHFFFAOYSA-N -1 3 295.324 2.206 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CCCC2)c1[N+](=O)[O-] ZINC000189788529 369568789 /nfs/dbraw/zinc/56/87/89/369568789.db2.gz FLJUAFBEFBWTEQ-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000331894384 204270220 /nfs/dbraw/zinc/27/02/20/204270220.db2.gz AZDJAUFHJXEVJB-GHMZBOCLSA-N -1 3 298.364 2.288 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(C(F)F)c1 ZINC000361667559 372016737 /nfs/dbraw/zinc/01/67/37/372016737.db2.gz QQBHQVDNIGEGSY-UHFFFAOYSA-N -1 3 255.184 2.325 20 5 CEBDHM CC1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000280518460 375229289 /nfs/dbraw/zinc/22/92/89/375229289.db2.gz QNYBITVAZCEUCN-UHFFFAOYSA-N -1 3 284.337 2.063 20 5 CEBDHM CC1(C)C[C@@H]([N-]c2c(F)cccc2[N+](=O)[O-])C(=O)O1 ZINC000286332800 375916715 /nfs/dbraw/zinc/91/67/15/375916715.db2.gz VKDMHYLDWPJJSS-MRVPVSSYSA-N -1 3 268.244 2.240 20 5 CEBDHM COCc1nc(Sc2cc(C)c([N+](=O)[O-])cc2F)n[n-]1 ZINC000292806062 377292091 /nfs/dbraw/zinc/29/20/91/377292091.db2.gz YUUCPGFCJBMDFY-UHFFFAOYSA-N -1 3 298.299 2.458 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC([O-])=NOCC(C)(C)O ZINC000278619723 194071617 /nfs/dbraw/zinc/07/16/17/194071617.db2.gz SKXDGBQYNTUVSQ-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[N-]OCC(C)(C)O ZINC000278619723 194071619 /nfs/dbraw/zinc/07/16/19/194071619.db2.gz SKXDGBQYNTUVSQ-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM O=C(Nc1ccc([O-])c2ccccc12)c1c[nH]nc1[N+](=O)[O-] ZINC000548928317 380580726 /nfs/dbraw/zinc/58/07/26/380580726.db2.gz OHJPUAAZPNEJAG-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM O=C([N-]c1cc2ccccn2n1)c1ccc([N+](=O)[O-])o1 ZINC000553330144 380734947 /nfs/dbraw/zinc/73/49/47/380734947.db2.gz YRSQDWQSDCOVQC-UHFFFAOYSA-N -1 3 272.220 2.088 20 5 CEBDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013939369 296356969 /nfs/dbraw/zinc/35/69/69/296356969.db2.gz WMTXCWOPMOLTJH-GHMZBOCLSA-N -1 3 298.364 2.452 20 5 CEBDHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000054148289 394560239 /nfs/dbraw/zinc/56/02/39/394560239.db2.gz GOWMAFKVBNBCLC-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccncc2F)c1 ZINC000132151882 394926043 /nfs/dbraw/zinc/92/60/43/394926043.db2.gz WPUZSMWTJIZYGU-UHFFFAOYSA-N -1 3 291.238 2.390 20 5 CEBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OC/C=C/Cl ZINC000493777665 395674155 /nfs/dbraw/zinc/67/41/55/395674155.db2.gz LVKWVQWBISVHRU-VMACMIPNSA-N -1 3 282.683 2.408 20 5 CEBDHM CC(C)O[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493814314 395675518 /nfs/dbraw/zinc/67/55/18/395675518.db2.gz OLTLCWPRXYROCI-GQCTYLIASA-N -1 3 268.244 2.203 20 5 CEBDHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000359934000 155174698 /nfs/dbraw/zinc/17/46/98/155174698.db2.gz DBZPOSXBPUGHMW-MNOVXSKESA-N -1 3 298.364 2.309 20 5 CEBDHM Cc1cc(NCc2cnc(C)[n-]c2=O)c(F)cc1[N+](=O)[O-] ZINC000360073765 155207197 /nfs/dbraw/zinc/20/71/97/155207197.db2.gz POPJEKJGSBYRLO-UHFFFAOYSA-N -1 3 292.270 2.458 20 5 CEBDHM C[C@@H](CN(C)c1ccc(Cl)cc1[N+](=O)[O-])c1nnn[n-]1 ZINC000302783751 154194339 /nfs/dbraw/zinc/19/43/39/154194339.db2.gz UFFRDMVKQLGFOX-ZETCQYMHSA-N -1 3 296.718 2.001 20 5 CEBDHM C[C@@H](CN(C)c1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000302783751 154194342 /nfs/dbraw/zinc/19/43/42/154194342.db2.gz UFFRDMVKQLGFOX-ZETCQYMHSA-N -1 3 296.718 2.001 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCC2)c1C ZINC000178294848 165230315 /nfs/dbraw/zinc/23/03/15/165230315.db2.gz ICEWWNWRSISFIP-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000043801094 175106695 /nfs/dbraw/zinc/10/66/95/175106695.db2.gz SOAJEDAJTYWBGX-GHMZBOCLSA-N -1 3 298.364 2.452 20 5 CEBDHM O=C([O-])[C@@H]1CC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000405361740 289292925 /nfs/dbraw/zinc/29/29/25/289292925.db2.gz FFRGNHYJXBRZRD-LBPRGKRZSA-N -1 3 290.319 2.282 20 5 CEBDHM C[C@H]1CSC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339193136 300394093 /nfs/dbraw/zinc/39/40/93/300394093.db2.gz SFHAGRPEKCUZHX-GZMMTYOYSA-N -1 3 268.338 2.142 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000189807779 301557243 /nfs/dbraw/zinc/55/72/43/301557243.db2.gz CEWJNCIESJVHQQ-SNVBAGLBSA-N -1 3 298.364 2.288 20 5 CEBDHM O=C([N-]c1nc2ccccc2s1)c1n[nH]cc1[N+](=O)[O-] ZINC000159344174 312631971 /nfs/dbraw/zinc/63/19/71/312631971.db2.gz AQVMZLRTHKLAJC-UHFFFAOYSA-N -1 3 289.276 2.180 20 5 CEBDHM Cc1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000192667252 321796548 /nfs/dbraw/zinc/79/65/48/321796548.db2.gz WBMGPDHLFXWJJT-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM CCC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736421331 574787347 /nfs/dbraw/zinc/78/73/47/574787347.db2.gz ASJXSAUYIGKPIE-SECBINFHSA-N -1 3 290.327 2.400 20 5 CEBDHM CCC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736421331 574787349 /nfs/dbraw/zinc/78/73/49/574787349.db2.gz ASJXSAUYIGKPIE-SECBINFHSA-N -1 3 290.327 2.400 20 5 CEBDHM CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739716890 574932253 /nfs/dbraw/zinc/93/22/53/574932253.db2.gz WFARYBDNIKMNOF-NSHDSACASA-N -1 3 293.323 2.027 20 5 CEBDHM O=C([O-])[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000821511645 598129524 /nfs/dbraw/zinc/12/95/24/598129524.db2.gz OCJJLZJHADWTLT-OGOUPESXSA-N -1 3 276.292 2.015 20 5 CEBDHM Cc1cc(Oc2ccccc2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC000822211870 606037437 /nfs/dbraw/zinc/03/74/37/606037437.db2.gz RPZHIURJXMNCFL-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1cc(Oc2ccccc2-c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC000822211870 606037442 /nfs/dbraw/zinc/03/74/42/606037442.db2.gz RPZHIURJXMNCFL-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC000820726953 606423494 /nfs/dbraw/zinc/42/34/94/606423494.db2.gz DORHUMZJCSEHME-RKDXNWHRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC000820726953 606423496 /nfs/dbraw/zinc/42/34/96/606423496.db2.gz DORHUMZJCSEHME-RKDXNWHRSA-N -1 3 288.311 2.010 20 5 CEBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC000820623024 606428775 /nfs/dbraw/zinc/42/87/75/606428775.db2.gz CBIBEWRJDBEPAR-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC000820623024 606428777 /nfs/dbraw/zinc/42/87/77/606428777.db2.gz CBIBEWRJDBEPAR-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM CC(C)[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820016721 606643896 /nfs/dbraw/zinc/64/38/96/606643896.db2.gz OWVDGALUCYJPIN-QMMMGPOBSA-N -1 3 276.300 2.231 20 5 CEBDHM O=c1[n-]ccc(N2C[C@H]3C[C@@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000895395163 630162884 /nfs/dbraw/zinc/16/28/84/630162884.db2.gz XSOMTVRXIFFKJM-WBMJQRKESA-N -1 3 297.314 2.473 20 5 CEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OC/C=C/Cl ZINC000812402267 632523779 /nfs/dbraw/zinc/52/37/79/632523779.db2.gz DFUQHCHQZMVTRW-FARCUNLSSA-N -1 3 284.699 2.328 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627103 635189184 /nfs/dbraw/zinc/18/91/84/635189184.db2.gz DJTPNKBDGZPWCL-PCDDKUFXSA-N -1 3 290.319 2.308 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2C[C@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000866180599 647652293 /nfs/dbraw/zinc/65/22/93/647652293.db2.gz SSOCSIKKFRUBRN-QWRGUYRKSA-N -1 3 293.323 2.170 20 5 CEBDHM Cc1ccnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC000791471820 648529540 /nfs/dbraw/zinc/52/95/40/648529540.db2.gz WESTVTDACQMEOM-UHFFFAOYSA-N -1 3 276.227 2.085 20 5 CEBDHM CCC[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(=O)OCC ZINC001226332788 805580341 /nfs/dbraw/zinc/58/03/41/805580341.db2.gz FCFZFQAIXLQLJG-LLVKDONJSA-N -1 3 283.280 2.411 20 5 CEBDHM COC(=O)c1onc(C)c1[N-]c1ccc([N+](=O)[O-])cc1 ZINC001174477784 816019196 /nfs/dbraw/zinc/01/91/96/816019196.db2.gz YYHBDTLHHLFUDI-UHFFFAOYSA-N -1 3 277.236 2.421 20 5 CEBDHM COc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1[N+](=O)[O-] ZINC001176360633 816400921 /nfs/dbraw/zinc/40/09/21/816400921.db2.gz UVMGIVGGSHYHIO-UHFFFAOYSA-N -1 3 294.292 2.131 20 5 CEBDHM CC(C)N(CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000037654546 343430456 /nfs/dbraw/zinc/43/04/56/343430456.db2.gz PXJQZLWETHHCKZ-UHFFFAOYSA-N -1 3 266.297 2.280 20 5 CEBDHM O=[N+]([O-])c1cnccc1NCc1ccc([O-])c(F)c1 ZINC000078020268 343939061 /nfs/dbraw/zinc/93/90/61/343939061.db2.gz HPOPDHCIIDZHPU-UHFFFAOYSA-N -1 3 263.228 2.447 20 5 CEBDHM O=c1[n-]ccc(NCC2(CO)CCCCC2)c1[N+](=O)[O-] ZINC000596156003 345954539 /nfs/dbraw/zinc/95/45/39/345954539.db2.gz YCKBUFKSIBOHDH-UHFFFAOYSA-N -1 3 281.312 2.050 20 5 CEBDHM CC(C)n1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596133227 345946729 /nfs/dbraw/zinc/94/67/29/345946729.db2.gz FQRHXJFPTGPIHI-UHFFFAOYSA-N -1 3 277.284 2.085 20 5 CEBDHM O=c1[n-]ccc(NC[C@H](CO)CC2CCCC2)c1[N+](=O)[O-] ZINC000596219718 345972818 /nfs/dbraw/zinc/97/28/18/345972818.db2.gz DJYVEMOHUNGILH-LLVKDONJSA-N -1 3 295.339 2.296 20 5 CEBDHM C[C@H]1CC(C)(C)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596270417 345986852 /nfs/dbraw/zinc/98/68/52/345986852.db2.gz GOTJTYOIIOHUHA-QMMMGPOBSA-N -1 3 251.286 2.320 20 5 CEBDHM Cc1cnc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000596298624 345993880 /nfs/dbraw/zinc/99/38/80/345993880.db2.gz JQIXBMJWYXBIJP-UHFFFAOYSA-N -1 3 288.307 2.362 20 5 CEBDHM CCC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OCC ZINC000599117984 346462198 /nfs/dbraw/zinc/46/21/98/346462198.db2.gz FINBYAUQZMKPGW-VIFPVBQESA-N -1 3 269.301 2.313 20 5 CEBDHM O=[N+]([O-])c1cc(F)cnc1[N-]c1cnn(CC2CC2)c1 ZINC000601124168 346760943 /nfs/dbraw/zinc/76/09/43/346760943.db2.gz APZSRYTVKOEEMP-UHFFFAOYSA-N -1 3 277.259 2.479 20 5 CEBDHM O=c1[n-]ccc(N[C@H](C2CCC2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000601250744 346802118 /nfs/dbraw/zinc/80/21/18/346802118.db2.gz QUUCBXKNCOYWMB-NWDGAFQWSA-N -1 3 293.323 2.455 20 5 CEBDHM CCc1ccc(C(=O)[N-]c2cnoc2)cc1[N+](=O)[O-] ZINC000610434294 347681102 /nfs/dbraw/zinc/68/11/02/347681102.db2.gz BFAGTEQHROTFJS-UHFFFAOYSA-N -1 3 261.237 2.398 20 5 CEBDHM Cc1cc([N-]S(=O)(=O)CCC2CC2)ccc1[N+](=O)[O-] ZINC000273964771 192381008 /nfs/dbraw/zinc/38/10/08/192381008.db2.gz PXAZQDHRFLWWTH-UHFFFAOYSA-N -1 3 284.337 2.445 20 5 CEBDHM COc1cc(CN2CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000569108318 299180600 /nfs/dbraw/zinc/18/06/00/299180600.db2.gz JVWKXWGQYZYIAX-LBPRGKRZSA-N -1 3 294.307 2.043 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000292118421 198169943 /nfs/dbraw/zinc/16/99/43/198169943.db2.gz HUCDHBPAVWBNGJ-MRVPVSSYSA-N -1 3 270.260 2.441 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000292356489 198257897 /nfs/dbraw/zinc/25/78/97/198257897.db2.gz XRPVIOFVLSUMLU-NSHDSACASA-N -1 3 296.323 2.458 20 5 CEBDHM C[C@H]1CSC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339193138 291026156 /nfs/dbraw/zinc/02/61/56/291026156.db2.gz SFHAGRPEKCUZHX-KWQFWETISA-N -1 3 268.338 2.142 20 5 CEBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1Cl)c1nnn[n-]1 ZINC000132892870 366179094 /nfs/dbraw/zinc/17/90/94/366179094.db2.gz DWKQUZGBBWHFAG-ZETCQYMHSA-N -1 3 296.718 2.001 20 5 CEBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000132892870 366179099 /nfs/dbraw/zinc/17/90/99/366179099.db2.gz DWKQUZGBBWHFAG-ZETCQYMHSA-N -1 3 296.718 2.001 20 5 CEBDHM CC(C)CO[N-]C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135412337 366436716 /nfs/dbraw/zinc/43/67/16/366436716.db2.gz RFVASABMUWLISA-UHFFFAOYSA-N -1 3 256.233 2.051 20 5 CEBDHM O=C([N-]c1cccc2[nH]cnc21)c1ccc([N+](=O)[O-])o1 ZINC000118725889 365174493 /nfs/dbraw/zinc/17/44/93/365174493.db2.gz WEXIZSISMXDHCX-UHFFFAOYSA-N -1 3 272.220 2.316 20 5 CEBDHM Cc1ncc(CNc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000343585388 367900352 /nfs/dbraw/zinc/90/03/52/367900352.db2.gz ALSMSAOUZQSHMI-UHFFFAOYSA-N -1 3 260.253 2.011 20 5 CEBDHM O=C([N-]OCC1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000293700130 377709480 /nfs/dbraw/zinc/70/94/80/377709480.db2.gz DHDMYUQSZIEOFR-UHFFFAOYSA-N -1 3 270.672 2.320 20 5 CEBDHM Cc1cc(NCCN(C)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567169852 377807743 /nfs/dbraw/zinc/80/77/43/377807743.db2.gz CFXFLFXRIYONLP-UHFFFAOYSA-N -1 3 293.323 2.108 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OC1CCC1 ZINC000493022728 380768259 /nfs/dbraw/zinc/76/82/59/380768259.db2.gz OGMQLVWGWSXEKF-BQYQJAHWSA-N -1 3 262.265 2.208 20 5 CEBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000016493742 394466690 /nfs/dbraw/zinc/46/66/90/394466690.db2.gz SSGDFKJLIULUDQ-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM CCc1csc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])n1 ZINC000427446642 395112532 /nfs/dbraw/zinc/11/25/32/395112532.db2.gz OQKQIJMRLRKBQK-UHFFFAOYSA-N -1 3 295.324 2.082 20 5 CEBDHM COc1cc(CNc2ccncc2F)c([N+](=O)[O-])cc1[O-] ZINC000192149884 153203144 /nfs/dbraw/zinc/20/31/44/153203144.db2.gz STULYOFEOJCAPH-UHFFFAOYSA-N -1 3 293.254 2.455 20 5 CEBDHM Cc1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)on1 ZINC000347985220 226398005 /nfs/dbraw/zinc/39/80/05/226398005.db2.gz QXSMUDZECLAYGT-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM O=C([N-]c1cccc2[nH]c(=O)oc21)c1ccc([N+](=O)[O-])o1 ZINC000426809883 260535473 /nfs/dbraw/zinc/53/54/73/260535473.db2.gz XFPVRGOSSMBJOJ-UHFFFAOYSA-N -1 3 289.203 2.287 20 5 CEBDHM Cc1cc(F)cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000135041394 280035658 /nfs/dbraw/zinc/03/56/58/280035658.db2.gz LLEKDDOWJJYZGV-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1ccncc1F ZINC000156483231 289196882 /nfs/dbraw/zinc/19/68/82/289196882.db2.gz JOBZDWWGJNHKPI-UHFFFAOYSA-N -1 3 276.227 2.085 20 5 CEBDHM O=C(c1cccc([O-])c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540959573 298272847 /nfs/dbraw/zinc/27/28/47/298272847.db2.gz FJPCQSWMCTYHRS-UHFFFAOYSA-N -1 3 298.298 2.499 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)C ZINC000193917244 302047496 /nfs/dbraw/zinc/04/74/96/302047496.db2.gz XPNZZZKZQFZYOV-UHFFFAOYSA-N -1 3 286.353 2.228 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CNC1(C(=O)[O-])CCCC1 ZINC000532881278 313360600 /nfs/dbraw/zinc/36/06/00/313360600.db2.gz MFLNTPNPIYTJFR-UHFFFAOYSA-N -1 3 294.307 2.090 20 5 CEBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000534705270 313383851 /nfs/dbraw/zinc/38/38/51/313383851.db2.gz MDZUPECCNGQEIG-UHFFFAOYSA-N -1 3 279.227 2.030 20 5 CEBDHM CCOC(C)(C)CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000186542515 528430151 /nfs/dbraw/zinc/43/01/51/528430151.db2.gz ZSWVGJXFNGMYLK-UHFFFAOYSA-N -1 3 298.339 2.214 20 5 CEBDHM Cc1nonc1C(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000733911342 574690613 /nfs/dbraw/zinc/69/06/13/574690613.db2.gz CWVBHXJWMGWHRU-UHFFFAOYSA-N -1 3 276.252 2.155 20 5 CEBDHM C[C@@H](CC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000738891613 574884298 /nfs/dbraw/zinc/88/42/98/574884298.db2.gz PYXQCWZULVIPQI-ZETCQYMHSA-N -1 3 272.688 2.201 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739060779 574891805 /nfs/dbraw/zinc/89/18/05/574891805.db2.gz VRNCCFSVYLDPCK-GHMZBOCLSA-N -1 3 293.323 2.245 20 5 CEBDHM CC1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC000824837904 607850139 /nfs/dbraw/zinc/85/01/39/607850139.db2.gz JYIJYPJTZFSZTQ-UHFFFAOYSA-N -1 3 274.284 2.129 20 5 CEBDHM CC1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC000824837904 607850140 /nfs/dbraw/zinc/85/01/40/607850140.db2.gz JYIJYPJTZFSZTQ-UHFFFAOYSA-N -1 3 274.284 2.129 20 5 CEBDHM COc1c([O-])ccc(CN[C@@H](C)C(F)F)c1[N+](=O)[O-] ZINC000896038058 630447595 /nfs/dbraw/zinc/44/75/95/630447595.db2.gz ILWCRSYPGCZSHK-LURJTMIESA-N -1 3 276.239 2.052 20 5 CEBDHM COC(C)(C)[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000922582069 643141583 /nfs/dbraw/zinc/14/15/83/643141583.db2.gz SLGIZNARGOFBMY-VIFPVBQESA-N -1 3 268.313 2.204 20 5 CEBDHM Cc1ccc(N2Cc3nc(C)[n-]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000882666146 652175305 /nfs/dbraw/zinc/17/53/05/652175305.db2.gz BYCCXKFQFGWNED-UHFFFAOYSA-N -1 3 286.291 2.227 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1C=Cc1nccc(=O)[n-]1 ZINC000131770467 652463059 /nfs/dbraw/zinc/46/30/59/652463059.db2.gz COPNQIKCMZKCMD-ZZXKWVIFSA-N -1 3 287.275 2.247 20 5 CEBDHM COc1nc(C)c(NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC001169731586 811649694 /nfs/dbraw/zinc/64/96/94/811649694.db2.gz BPRGRVAZAYHCDO-UHFFFAOYSA-N -1 3 290.279 2.020 20 5 CEBDHM O=C([N-]OC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000714049221 814884316 /nfs/dbraw/zinc/88/43/16/814884316.db2.gz ZDGQYXBPKNYZNB-UHFFFAOYSA-N -1 3 268.244 2.338 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@]12C[C@H]1CCCC2 ZINC000601502833 346843006 /nfs/dbraw/zinc/84/30/06/346843006.db2.gz YNSZBTIUHBWHMM-ZWNOBZJWSA-N -1 3 296.348 2.206 20 5 CEBDHM CCc1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000355081516 529691070 /nfs/dbraw/zinc/69/10/70/529691070.db2.gz OMRUYIUBLSDPCI-UHFFFAOYSA-N -1 3 267.266 2.459 20 5 CEBDHM CCc1ncsc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000157511073 529764393 /nfs/dbraw/zinc/76/43/93/529764393.db2.gz AXCXDGRHHWSJSW-UHFFFAOYSA-N -1 3 267.266 2.459 20 5 CEBDHM CC[C@H](C)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000449635437 282312273 /nfs/dbraw/zinc/31/22/73/282312273.db2.gz YCDZLQMFTGVNRA-LBPRGKRZSA-N -1 3 293.367 2.217 20 5 CEBDHM CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000049239971 362348181 /nfs/dbraw/zinc/34/81/81/362348181.db2.gz ITBCJNFWOYJBNM-UHFFFAOYSA-N -1 3 284.337 2.206 20 5 CEBDHM C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000229297856 344564967 /nfs/dbraw/zinc/56/49/67/344564967.db2.gz XNJQXCUMLTZCNA-ZWNOBZJWSA-N -1 3 278.308 2.280 20 5 CEBDHM O=C([O-])C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054299734 362524439 /nfs/dbraw/zinc/52/44/39/362524439.db2.gz KYDHUPDTRSAHOJ-LBPRGKRZSA-N -1 3 278.308 2.282 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc([N+](=O)[O-])cc1F ZINC000593291050 345463071 /nfs/dbraw/zinc/46/30/71/345463071.db2.gz WKLRWAALILBCHB-PRHODGIISA-N -1 3 282.271 2.171 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CCCS2)c1[N+](=O)[O-] ZINC000596157467 345955277 /nfs/dbraw/zinc/95/52/77/345955277.db2.gz VTOKLKDQSOBOTO-ZETCQYMHSA-N -1 3 255.299 2.003 20 5 CEBDHM CO[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC000596204642 345968939 /nfs/dbraw/zinc/96/89/39/345968939.db2.gz BXNZOVMDJWZQGX-SSDOTTSWSA-N -1 3 295.217 2.075 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@H](OC3CCC3)C2)c1[N+](=O)[O-] ZINC000596301106 345994749 /nfs/dbraw/zinc/99/47/49/345994749.db2.gz YSKRIIFUPVKINV-LLVKDONJSA-N -1 3 293.323 2.233 20 5 CEBDHM Cc1sc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])nc1C(C)C ZINC000597894307 346246888 /nfs/dbraw/zinc/24/68/88/346246888.db2.gz MMCBYKXHQVUVGS-UHFFFAOYSA-N -1 3 295.324 2.459 20 5 CEBDHM C[C@]1(C(=O)[O-])CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000062876888 362727767 /nfs/dbraw/zinc/72/77/67/362727767.db2.gz VXLLIUBEYGOPCG-AWEZNQCLSA-N -1 3 278.308 2.282 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000104762572 186020675 /nfs/dbraw/zinc/02/06/75/186020675.db2.gz PFPHOBSVXSEIQG-GXSJLCMTSA-N -1 3 298.364 2.370 20 5 CEBDHM CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070250643 363061571 /nfs/dbraw/zinc/06/15/71/363061571.db2.gz ZVYTXWBUIVMYJZ-UHFFFAOYSA-N -1 3 292.744 2.325 20 5 CEBDHM C[C@]1(C(=O)[O-])CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000079487986 363607948 /nfs/dbraw/zinc/60/79/48/363607948.db2.gz LWBMHCQAJGHYKI-CYBMUJFWSA-N -1 3 264.281 2.034 20 5 CEBDHM C[C@@]1(C(=O)[O-])CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000079490657 363608658 /nfs/dbraw/zinc/60/86/58/363608658.db2.gz UGVDVMQPGKBGSP-ZDUSSCGKSA-N -1 3 264.281 2.034 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)[N-]OCC1CC1 ZINC000296869415 200019893 /nfs/dbraw/zinc/01/98/93/200019893.db2.gz MLDBGWSTBBTODM-UHFFFAOYSA-N -1 3 265.269 2.366 20 5 CEBDHM C[C@@H](CO)N(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC000339145097 366675570 /nfs/dbraw/zinc/67/55/70/366675570.db2.gz JRKJFHXLRHBEBH-NSHDSACASA-N -1 3 294.351 2.283 20 5 CEBDHM C[C@@H](C(=O)Nc1ncccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000580028136 366737917 /nfs/dbraw/zinc/73/79/17/366737917.db2.gz DGMSZYWPQRRWHJ-SECBINFHSA-N -1 3 287.275 2.438 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC1CC1 ZINC000112707852 364831334 /nfs/dbraw/zinc/83/13/34/364831334.db2.gz SFVFMDDIFOZGGZ-JTQLQIEISA-N -1 3 298.364 2.370 20 5 CEBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1ccsc1Cl ZINC000189490434 369525474 /nfs/dbraw/zinc/52/54/74/369525474.db2.gz JTJVKIPPZZHDAX-UHFFFAOYSA-N -1 3 286.700 2.296 20 5 CEBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]O[C@@H]1CCCCO1 ZINC000255033174 371549863 /nfs/dbraw/zinc/54/98/63/371549863.db2.gz RLHAGJQVWUBQAA-WBTMPAOCSA-N -1 3 292.291 2.182 20 5 CEBDHM C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000262755879 371906577 /nfs/dbraw/zinc/90/65/77/371906577.db2.gz HRJXECOQKADNFG-SECBINFHSA-N -1 3 264.281 2.032 20 5 CEBDHM O=C(Nc1ncccc1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000344192040 217092997 /nfs/dbraw/zinc/09/29/97/217092997.db2.gz WAJALTRSIJFSHT-UHFFFAOYSA-N -1 3 277.211 2.087 20 5 CEBDHM O=C(Nc1cccnc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000028027279 284375838 /nfs/dbraw/zinc/37/58/38/284375838.db2.gz BRCIKCLACJAPLA-UHFFFAOYSA-N -1 3 283.247 2.118 20 5 CEBDHM CC(C)(O)[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331200860 377324717 /nfs/dbraw/zinc/32/47/17/377324717.db2.gz NDUIAINSISATBX-CYBMUJFWSA-N -1 3 280.324 2.036 20 5 CEBDHM CC(C)O[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000293862574 377793854 /nfs/dbraw/zinc/79/38/54/377793854.db2.gz DKZXIVSFTOVBOL-BQYQJAHWSA-N -1 3 250.254 2.064 20 5 CEBDHM Cc1ncsc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000351680036 220262813 /nfs/dbraw/zinc/26/28/13/220262813.db2.gz PKMUQGXAQDVNSR-UHFFFAOYSA-N -1 3 253.239 2.205 20 5 CEBDHM COC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000549932901 380614887 /nfs/dbraw/zinc/61/48/87/380614887.db2.gz XQNFUMLRDSKKKG-GFCCVEGCSA-N -1 3 268.313 2.061 20 5 CEBDHM COc1cc(CNCC=C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000191632450 130266442 /nfs/dbraw/zinc/26/64/42/130266442.db2.gz ANJMPXKVOKBXQU-UHFFFAOYSA-N -1 3 266.297 2.365 20 5 CEBDHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048659608 394520228 /nfs/dbraw/zinc/52/02/28/394520228.db2.gz GAFSGRKQLWKGDO-SSDOTTSWSA-N -1 3 292.744 2.325 20 5 CEBDHM Cc1ocnc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000339188843 394949195 /nfs/dbraw/zinc/94/91/95/394949195.db2.gz MDNMLYOKXWRBKJ-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM C[C@@H](CN(C)c1cc(Cl)ccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000286872606 395030222 /nfs/dbraw/zinc/03/02/22/395030222.db2.gz NPBPLYJUIATPBN-ZETCQYMHSA-N -1 3 296.718 2.001 20 5 CEBDHM C[C@@H](CN(C)c1cc(Cl)ccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000286872606 395030224 /nfs/dbraw/zinc/03/02/24/395030224.db2.gz NPBPLYJUIATPBN-ZETCQYMHSA-N -1 3 296.718 2.001 20 5 CEBDHM Cc1c(CN2CCC[C@@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000042163509 174646337 /nfs/dbraw/zinc/64/63/37/174646337.db2.gz JYVSIWJKAJLCKK-GFCCVEGCSA-N -1 3 278.308 2.342 20 5 CEBDHM Cc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000045287758 281243228 /nfs/dbraw/zinc/24/32/28/281243228.db2.gz UGURYHCDRASOOT-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C)CCC1 ZINC000167433869 302047359 /nfs/dbraw/zinc/04/73/59/302047359.db2.gz ASKQPRNASDCQGF-UHFFFAOYSA-N -1 3 284.337 2.124 20 5 CEBDHM COc1cccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548520310 313566695 /nfs/dbraw/zinc/56/66/95/313566695.db2.gz OFNYVTIWBIIQSI-UHFFFAOYSA-N -1 3 291.238 2.390 20 5 CEBDHM Cc1cc(C(=O)N=c2cc3ccccn3[n-]2)cc([N+](=O)[O-])c1 ZINC000580477533 322320652 /nfs/dbraw/zinc/32/06/52/322320652.db2.gz QOFUHWHJGJUSHE-UHFFFAOYSA-N -1 3 296.286 2.225 20 5 CEBDHM C[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736261960 574780500 /nfs/dbraw/zinc/78/05/00/574780500.db2.gz LTNTVQINTZFDHD-SCZZXKLOSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736261960 574780501 /nfs/dbraw/zinc/78/05/01/574780501.db2.gz LTNTVQINTZFDHD-SCZZXKLOSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCCNC(=O)[O-] ZINC000739059785 574891520 /nfs/dbraw/zinc/89/15/20/574891520.db2.gz POHLRLFEJPOGKA-SNVBAGLBSA-N -1 3 281.312 2.245 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnns1 ZINC000798542592 630889010 /nfs/dbraw/zinc/88/90/10/630889010.db2.gz ZSIIHAYGBUCJAH-UHFFFAOYSA-N -1 3 294.292 2.097 20 5 CEBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cnsn1 ZINC000813247182 632654212 /nfs/dbraw/zinc/65/42/12/632654212.db2.gz ZCEXSCGBLHXOMG-UHFFFAOYSA-N -1 3 284.684 2.352 20 5 CEBDHM C[C@@H](CF)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848590280 642070840 /nfs/dbraw/zinc/07/08/40/642070840.db2.gz LBGCYCBWUFEVKK-ZETCQYMHSA-N -1 3 292.213 2.041 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000853091304 643649284 /nfs/dbraw/zinc/64/92/84/643649284.db2.gz OJSJAAWMGGYPJF-YFKPBYRVSA-N -1 3 278.095 2.301 20 5 CEBDHM O=C([O-])[C@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000874047111 649741456 /nfs/dbraw/zinc/74/14/56/649741456.db2.gz PWYJQOHFPFCBGN-WKFQBHICSA-N -1 3 284.699 2.201 20 5 CEBDHM O=C([O-])[C@]12CCC[C@H]1N(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000711628853 810087703 /nfs/dbraw/zinc/08/77/03/810087703.db2.gz YOYBKNOZBMPUHE-MFKMUULPSA-N -1 3 296.348 2.486 20 5 CEBDHM Cc1ncc(Nc2ccc(C=C[N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001175901950 816303236 /nfs/dbraw/zinc/30/32/36/816303236.db2.gz ARHSBIPFSOKJQR-VOTSOKGWSA-N -1 3 272.264 2.482 20 5 CEBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)[N-]OC1CCC1 ZINC001141020216 816446955 /nfs/dbraw/zinc/44/69/55/816446955.db2.gz CBCXFPBZNSZOKB-UHFFFAOYSA-N -1 3 284.699 2.391 20 5 CEBDHM C[C@@H]1C[C@@H](C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596051990 345928335 /nfs/dbraw/zinc/92/83/35/345928335.db2.gz WLOTYYSAQKHPPJ-RKDXNWHRSA-N -1 3 251.286 2.178 20 5 CEBDHM CC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596103737 345940897 /nfs/dbraw/zinc/94/08/97/345940897.db2.gz FTUJJZZKKCHMQZ-UHFFFAOYSA-N -1 3 251.286 2.322 20 5 CEBDHM CO[C@@]1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596144132 345950875 /nfs/dbraw/zinc/95/08/75/345950875.db2.gz AMGPIVWVQJJINM-ZANVPECISA-N -1 3 281.312 2.311 20 5 CEBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC[C@H]1O ZINC000596149586 345952654 /nfs/dbraw/zinc/95/26/54/345952654.db2.gz NYVPUUYUVQLRRO-ZWNOBZJWSA-N -1 3 281.312 2.049 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000596233788 345975678 /nfs/dbraw/zinc/97/56/78/345975678.db2.gz FNIIUCCGYCCGTO-JTQLQIEISA-N -1 3 263.297 2.322 20 5 CEBDHM O=c1[n-]ccc(N[C@@H](C2CC2)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596291075 345992091 /nfs/dbraw/zinc/99/20/91/345992091.db2.gz FVAXQPDPGQNRFA-NEPJUHHUSA-N -1 3 293.323 2.455 20 5 CEBDHM O=c1[n-]ccc(N2CCC3(CC3(F)F)CC2)c1[N+](=O)[O-] ZINC000596291326 345992829 /nfs/dbraw/zinc/99/28/29/345992829.db2.gz CWKDDJQVCUIYSA-UHFFFAOYSA-N -1 3 285.250 2.321 20 5 CEBDHM COCC[C@@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596193173 345966076 /nfs/dbraw/zinc/96/60/76/345966076.db2.gz CXBMMSVQPDMXTJ-NSHDSACASA-N -1 3 295.339 2.338 20 5 CEBDHM O=c1[n-]ccc(N2CCC(c3ccon3)CC2)c1[N+](=O)[O-] ZINC000596525711 346045562 /nfs/dbraw/zinc/04/55/62/346045562.db2.gz FUFNAFBIQLFTOI-UHFFFAOYSA-N -1 3 290.279 2.067 20 5 CEBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000351757218 219197987 /nfs/dbraw/zinc/19/79/87/219197987.db2.gz SOEJKTCDTOWNBB-UHFFFAOYSA-N -1 3 299.246 2.225 20 5 CEBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccccc1[N+](=O)[O-] ZINC000351757218 219197989 /nfs/dbraw/zinc/19/79/89/219197989.db2.gz SOEJKTCDTOWNBB-UHFFFAOYSA-N -1 3 299.246 2.225 20 5 CEBDHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000600800978 346693044 /nfs/dbraw/zinc/69/30/44/346693044.db2.gz OYJZIWWFFWCESF-WCQYABFASA-N -1 3 292.335 2.446 20 5 CEBDHM C[C@@H]1CSC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339193139 366693030 /nfs/dbraw/zinc/69/30/30/366693030.db2.gz SFHAGRPEKCUZHX-LDYMZIIASA-N -1 3 268.338 2.142 20 5 CEBDHM Cc1c(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000092924742 364118111 /nfs/dbraw/zinc/11/81/11/364118111.db2.gz AAJOFNXWAKZYNV-CMPLNLGQSA-N -1 3 278.308 2.198 20 5 CEBDHM CC(C)c1ccc(CNC2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000340679857 366983238 /nfs/dbraw/zinc/98/32/38/366983238.db2.gz WCUKOYSQJAQWKC-UHFFFAOYSA-N -1 3 278.308 2.425 20 5 CEBDHM O=C([O-])CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340682583 366984687 /nfs/dbraw/zinc/98/46/87/366984687.db2.gz SGBSSXLEXLXXLD-UHFFFAOYSA-N -1 3 290.275 2.419 20 5 CEBDHM Cc1cccc2c1N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000185796531 368862781 /nfs/dbraw/zinc/86/27/81/368862781.db2.gz IZRJEFVFIZBQCK-UHFFFAOYSA-N -1 3 299.286 2.207 20 5 CEBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000352638039 369815601 /nfs/dbraw/zinc/81/56/01/369815601.db2.gz QXHDOMCJXLWAHP-UHFFFAOYSA-N -1 3 275.264 2.200 20 5 CEBDHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416543970 376088417 /nfs/dbraw/zinc/08/84/17/376088417.db2.gz FOWNLSQVHXFQCN-QWHCGFSZSA-N -1 3 298.364 2.308 20 5 CEBDHM C[C@]1(CCCO)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330460447 377143905 /nfs/dbraw/zinc/14/39/05/377143905.db2.gz VPKVEFVSCSRKQL-OAHLLOKOSA-N -1 3 294.351 2.427 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000564336626 377379043 /nfs/dbraw/zinc/37/90/43/377379043.db2.gz CGMFXHPFYUBBIU-GHMZBOCLSA-N -1 3 278.308 2.371 20 5 CEBDHM CC(C)([N-]C(=O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000293575046 377639356 /nfs/dbraw/zinc/63/93/56/377639356.db2.gz AFTWZJZWDNXXDK-UHFFFAOYSA-N -1 3 258.224 2.211 20 5 CEBDHM CCC1([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000295310421 378098145 /nfs/dbraw/zinc/09/81/45/378098145.db2.gz OUQMIDVZGKWRPR-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM Cc1nn(C)c(C)c1[N-]c1ncc(C)cc1[N+](=O)[O-] ZINC000266179644 190237520 /nfs/dbraw/zinc/23/75/20/190237520.db2.gz BWWYZWLXUKBKMP-UHFFFAOYSA-N -1 3 261.285 2.392 20 5 CEBDHM Cc1ncc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000346801280 218019635 /nfs/dbraw/zinc/01/96/35/218019635.db2.gz SBAGUYPIAKECRR-VIFPVBQESA-N -1 3 288.307 2.250 20 5 CEBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000492022911 380423632 /nfs/dbraw/zinc/42/36/32/380423632.db2.gz XHYMLWTYVTUOIH-YVMONPNESA-N -1 3 299.286 2.025 20 5 CEBDHM CSCCO[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000281010337 195068498 /nfs/dbraw/zinc/06/84/98/195068498.db2.gz YMZNWCKKUZJBAG-UHFFFAOYSA-N -1 3 290.728 2.273 20 5 CEBDHM C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000300295793 296391736 /nfs/dbraw/zinc/39/17/36/296391736.db2.gz RGXSNJSRUCTUJD-ZWNOBZJWSA-N -1 3 278.308 2.280 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2[O-])n1 ZINC000191877056 395365508 /nfs/dbraw/zinc/36/55/08/395365508.db2.gz XHNIYWOAAMLCEF-UHFFFAOYSA-N -1 3 290.279 2.078 20 5 CEBDHM CCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189785505 153110013 /nfs/dbraw/zinc/11/00/13/153110013.db2.gz RRRICUYXYVTPQN-UHFFFAOYSA-N -1 3 286.353 2.290 20 5 CEBDHM Cc1ccc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263102890 154018806 /nfs/dbraw/zinc/01/88/06/154018806.db2.gz XDVVAJGQCFIXNW-GWCFXTLKSA-N -1 3 292.335 2.446 20 5 CEBDHM CC(C)O[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000393510506 270343399 /nfs/dbraw/zinc/34/33/99/270343399.db2.gz OCCHGPREKMHXDF-VOTSOKGWSA-N -1 3 250.254 2.064 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)c(C)s2)n1 ZINC000138510417 280071714 /nfs/dbraw/zinc/07/17/14/280071714.db2.gz JRBWVKPOGCCTLE-UHFFFAOYSA-N -1 3 295.324 2.137 20 5 CEBDHM CO[C@@H]1C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000459729015 290219327 /nfs/dbraw/zinc/21/93/27/290219327.db2.gz DBEAQWDCNQFYDB-UONOGXRCSA-N -1 3 292.335 2.348 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN(CC(=O)[O-])C1CCC1 ZINC000570342818 314035243 /nfs/dbraw/zinc/03/52/43/314035243.db2.gz CVWLLFZMRUCRNX-UHFFFAOYSA-N -1 3 294.307 2.043 20 5 CEBDHM CN[C@@H](CC(C)(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000580645143 322332139 /nfs/dbraw/zinc/33/21/39/322332139.db2.gz XLDYPBYKVJJIDX-JTQLQIEISA-N -1 3 295.339 2.263 20 5 CEBDHM O=C1[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])cc2F)S1 ZINC000874929216 649871365 /nfs/dbraw/zinc/87/13/65/649871365.db2.gz WNGPCAHOVRBUFY-FPYGCLRLSA-N -1 3 268.225 2.058 20 5 CEBDHM O=[N+]([O-])c1ncccc1[N-]c1ccn(Cc2ccccn2)n1 ZINC000727828897 574456697 /nfs/dbraw/zinc/45/66/97/574456697.db2.gz BOMAWKMTKXJOAZ-UHFFFAOYSA-N -1 3 296.290 2.373 20 5 CEBDHM CC(C)[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735699965 574764416 /nfs/dbraw/zinc/76/44/16/574764416.db2.gz DPBNXTNYKCVKIC-VIFPVBQESA-N -1 3 290.327 2.256 20 5 CEBDHM CC(C)[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735699965 574764417 /nfs/dbraw/zinc/76/44/17/574764417.db2.gz DPBNXTNYKCVKIC-VIFPVBQESA-N -1 3 290.327 2.256 20 5 CEBDHM CC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736402878 574786293 /nfs/dbraw/zinc/78/62/93/574786293.db2.gz PJIPZJTUHMGKOX-VIFPVBQESA-N -1 3 288.311 2.154 20 5 CEBDHM CC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736402878 574786294 /nfs/dbraw/zinc/78/62/94/574786294.db2.gz PJIPZJTUHMGKOX-VIFPVBQESA-N -1 3 288.311 2.154 20 5 CEBDHM Cc1ccc([C@@H](C)N[C@H]2CCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830257450 604316623 /nfs/dbraw/zinc/31/66/23/604316623.db2.gz UOZOHIPYVMAHML-PWSUYJOCSA-N -1 3 293.323 2.306 20 5 CEBDHM CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820989334 606725723 /nfs/dbraw/zinc/72/57/23/606725723.db2.gz QPYWVNCRSDSNIC-SECBINFHSA-N -1 3 288.311 2.011 20 5 CEBDHM CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820989334 606725724 /nfs/dbraw/zinc/72/57/24/606725724.db2.gz QPYWVNCRSDSNIC-SECBINFHSA-N -1 3 288.311 2.011 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2ccccc2-c2nnn[n-]2)nc1 ZINC000826498256 607885250 /nfs/dbraw/zinc/88/52/50/607885250.db2.gz NGZXUJZABMJYDV-WAYWQWQTSA-N -1 3 294.274 2.340 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2ccccc2-c2nn[n-]n2)nc1 ZINC000826498256 607885251 /nfs/dbraw/zinc/88/52/51/607885251.db2.gz NGZXUJZABMJYDV-WAYWQWQTSA-N -1 3 294.274 2.340 20 5 CEBDHM O=c1[n-]ccc(NC[C@]23C[C@H]2COC32CCC2)c1[N+](=O)[O-] ZINC000897261162 631025932 /nfs/dbraw/zinc/02/59/32/631025932.db2.gz XRQCQTHAVYLCTR-TVQRCGJNSA-N -1 3 291.307 2.067 20 5 CEBDHM Cn1ncc([N-]c2ncc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000840285329 632655340 /nfs/dbraw/zinc/65/53/40/632655340.db2.gz BZGTULMGYDBYGM-UHFFFAOYSA-N -1 3 277.259 2.483 20 5 CEBDHM Cc1c(CC(=O)[N-]OCCC2CC2)cccc1[N+](=O)[O-] ZINC000817442178 633665466 /nfs/dbraw/zinc/66/54/66/633665466.db2.gz WVOINKBIAWDYQT-UHFFFAOYSA-N -1 3 278.308 2.294 20 5 CEBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OCC1CCC1 ZINC000856347919 644645061 /nfs/dbraw/zinc/64/50/61/644645061.db2.gz IGXWIUBLSVCCSE-UHFFFAOYSA-N -1 3 278.308 2.375 20 5 CEBDHM O=C([N-]c1cnsn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001271749624 806077955 /nfs/dbraw/zinc/07/79/55/806077955.db2.gz RDXCHRFEHMJWCR-UHFFFAOYSA-N -1 3 284.684 2.352 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1Nc1cc(=O)[n-]c(C)n1 ZINC001211286750 802808206 /nfs/dbraw/zinc/80/82/06/802808206.db2.gz ZQVRNPFNGDKLLU-UHFFFAOYSA-N -1 3 260.253 2.451 20 5 CEBDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000716631153 815137120 /nfs/dbraw/zinc/13/71/20/815137120.db2.gz LRVICRIKGZCICZ-DOLQZWNJSA-N -1 3 263.297 2.399 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CCC3(CCC3)O2)c1[N+](=O)[O-] ZINC000711483377 810077561 /nfs/dbraw/zinc/07/75/61/810077561.db2.gz XMXJYDFXHCQFPG-VIFPVBQESA-N -1 3 279.296 2.209 20 5 CEBDHM COc1cc(C)nc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC001158774604 812989404 /nfs/dbraw/zinc/98/94/04/812989404.db2.gz QKCYWJFJFHUGKD-UHFFFAOYSA-N -1 3 290.279 2.020 20 5 CEBDHM Cc1cncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000079946601 343994841 /nfs/dbraw/zinc/99/48/41/343994841.db2.gz ZUQCSPMUQAHDNX-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCC12CC2 ZINC000601481489 346841859 /nfs/dbraw/zinc/84/18/59/346841859.db2.gz WNRPKJNGQQKCRK-LBPRGKRZSA-N -1 3 296.348 2.206 20 5 CEBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000037599282 361909257 /nfs/dbraw/zinc/90/92/57/361909257.db2.gz BMROCUXCRAGDGV-SNVBAGLBSA-N -1 3 296.323 2.289 20 5 CEBDHM CC/C=C/CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000449452704 282243525 /nfs/dbraw/zinc/24/35/25/282243525.db2.gz GPDXTMXUNFLDIE-SNAWJCMRSA-N -1 3 266.297 2.365 20 5 CEBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OC1CCC1 ZINC000492964295 290690333 /nfs/dbraw/zinc/69/03/33/290690333.db2.gz RTTWGWMNGOSMFS-TWGQIWQCSA-N -1 3 262.265 2.208 20 5 CEBDHM O=C([O-])C12CCC(CC1)N2Cc1ccccc1[N+](=O)[O-] ZINC000601965132 346945222 /nfs/dbraw/zinc/94/52/22/346945222.db2.gz VIRKTMQLFPJDKU-UHFFFAOYSA-N -1 3 276.292 2.176 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000593228550 345455826 /nfs/dbraw/zinc/45/58/26/345455826.db2.gz FNJTZIUSXJFHEA-UHFFFAOYSA-N -1 3 289.295 2.328 20 5 CEBDHM C[C@H](CO)[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595674589 345845631 /nfs/dbraw/zinc/84/56/31/345845631.db2.gz LUKAVKWFWKPAAY-RISCZKNCSA-N -1 3 294.351 2.283 20 5 CEBDHM COCCC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596192865 345965904 /nfs/dbraw/zinc/96/59/04/345965904.db2.gz WKJGILXAHXEDJN-UHFFFAOYSA-N -1 3 269.301 2.170 20 5 CEBDHM Cc1ncc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596081801 345935337 /nfs/dbraw/zinc/93/53/37/345935337.db2.gz LPWLRRBGMLGXQV-UHFFFAOYSA-N -1 3 280.309 2.097 20 5 CEBDHM CC(C)COC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596085045 345936231 /nfs/dbraw/zinc/93/62/31/345936231.db2.gz RHQSPCWGPOGZCC-UHFFFAOYSA-N -1 3 295.339 2.337 20 5 CEBDHM Cc1ncsc1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596118759 345943957 /nfs/dbraw/zinc/94/39/57/345943957.db2.gz DZOQBSCLWNCZSG-UHFFFAOYSA-N -1 3 280.309 2.097 20 5 CEBDHM O=c1[n-]ccc(N2CCOC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596136829 345948129 /nfs/dbraw/zinc/94/81/29/345948129.db2.gz DTZISSTXEMCFNA-UHFFFAOYSA-N -1 3 293.323 2.235 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@H](OC3CCC3)C2)c1[N+](=O)[O-] ZINC000596301107 345994382 /nfs/dbraw/zinc/99/43/82/345994382.db2.gz YSKRIIFUPVKINV-NSHDSACASA-N -1 3 293.323 2.233 20 5 CEBDHM CO[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000596271672 345987594 /nfs/dbraw/zinc/98/75/94/345987594.db2.gz SDWUCWNZIUHCKE-UWVGGRQHSA-N -1 3 279.296 2.065 20 5 CEBDHM CC(C)(C)OCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596466094 346029819 /nfs/dbraw/zinc/02/98/19/346029819.db2.gz PDWRAIOOIGOQRF-UHFFFAOYSA-N -1 3 269.301 2.313 20 5 CEBDHM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062876883 362728377 /nfs/dbraw/zinc/72/83/77/362728377.db2.gz JHLNKGVZOJBJBZ-CQSZACIVSA-N -1 3 278.308 2.282 20 5 CEBDHM O=c1[nH][n-]cc1CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601195921 346784634 /nfs/dbraw/zinc/78/46/34/346784634.db2.gz VZYQDLZAJFJLQS-MRVPVSSYSA-N -1 3 296.714 2.172 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779968 179330139 /nfs/dbraw/zinc/33/01/39/179330139.db2.gz RPOPQXKQYVEBPN-IINYFYTJSA-N -1 3 278.308 2.452 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155402469 188203649 /nfs/dbraw/zinc/20/36/49/188203649.db2.gz PYIFYUICCOYDJK-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155402469 188203650 /nfs/dbraw/zinc/20/36/50/188203650.db2.gz PYIFYUICCOYDJK-GFCCVEGCSA-N -1 3 295.295 2.483 20 5 CEBDHM CC(C)(CCC(=O)[N-]OCc1ccc(F)cc1)[N+](=O)[O-] ZINC000294938463 199260261 /nfs/dbraw/zinc/26/02/61/199260261.db2.gz KYGVCLGMOJEUEB-UHFFFAOYSA-N -1 3 284.287 2.209 20 5 CEBDHM CC(C)[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000339137605 366672423 /nfs/dbraw/zinc/67/24/23/366672423.db2.gz RNEBRHRQFJYNNO-OAHLLOKOSA-N -1 3 293.367 2.072 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@]2(C1)CCCOC2 ZINC000339170975 366688912 /nfs/dbraw/zinc/68/89/12/366688912.db2.gz JTOZUIYKGKZFGX-HNNXBMFYSA-N -1 3 292.335 2.303 20 5 CEBDHM COCc1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000115244493 364993329 /nfs/dbraw/zinc/99/33/29/364993329.db2.gz HMVSXUJBEBCNEU-UHFFFAOYSA-N -1 3 283.265 2.043 20 5 CEBDHM Cc1ccc(NCc2cnc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC000343596179 367906595 /nfs/dbraw/zinc/90/65/95/367906595.db2.gz GPZQUVGNQYUBKN-UHFFFAOYSA-N -1 3 274.280 2.319 20 5 CEBDHM Cc1ccnc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)n1 ZINC000348185412 368941038 /nfs/dbraw/zinc/94/10/38/368941038.db2.gz YHXLOOOCSUZQTE-UHFFFAOYSA-N -1 3 276.227 2.085 20 5 CEBDHM O=C(Nc1ccc2c(c1)CCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186816355 369051782 /nfs/dbraw/zinc/05/17/82/369051782.db2.gz DSGPJSVQVCWALZ-UHFFFAOYSA-N -1 3 299.286 2.436 20 5 CEBDHM Cc1ccc(F)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187541714 369175269 /nfs/dbraw/zinc/17/52/69/369175269.db2.gz RPLDKOBNGZDENE-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000236856323 370640130 /nfs/dbraw/zinc/64/01/30/370640130.db2.gz PBUSIAYYMUULTG-SECBINFHSA-N -1 3 284.287 2.419 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C)CC2)cc1C ZINC000358874111 371253515 /nfs/dbraw/zinc/25/35/15/371253515.db2.gz IMUPIWSRJHDJPG-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM CCCS(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000282662067 375542643 /nfs/dbraw/zinc/54/26/43/375542643.db2.gz MXQPTMQABUUXLU-UHFFFAOYSA-N -1 3 276.289 2.194 20 5 CEBDHM C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000565303026 377635645 /nfs/dbraw/zinc/63/56/45/377635645.db2.gz KRCPUSVWKBKIBT-GWCFXTLKSA-N -1 3 278.308 2.137 20 5 CEBDHM COc1ccc([N-]C(=O)c2cncs2)c([N+](=O)[O-])c1 ZINC000347600174 218286384 /nfs/dbraw/zinc/28/63/84/218286384.db2.gz LGPZQINMQLEILR-UHFFFAOYSA-N -1 3 279.277 2.312 20 5 CEBDHM COCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2C)co1 ZINC000548489668 380526172 /nfs/dbraw/zinc/52/61/72/380526172.db2.gz IRJWLXBENPIMNC-UHFFFAOYSA-N -1 3 291.263 2.290 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cscc2C)n1 ZINC000427368799 395107702 /nfs/dbraw/zinc/10/77/02/395107702.db2.gz BAZPDTHLKVYVDK-UHFFFAOYSA-N -1 3 280.309 2.433 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(NCc2ncccc2[O-])n1 ZINC000359895221 155162264 /nfs/dbraw/zinc/16/22/64/155162264.db2.gz FAWKRZPOJWQXRX-UHFFFAOYSA-N -1 3 260.253 2.011 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)[O-])C1 ZINC000226446015 287152604 /nfs/dbraw/zinc/15/26/04/287152604.db2.gz WUFCKYWDSUJLGA-VHSXEESVSA-N -1 3 264.281 2.062 20 5 CEBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]O[C@H]1CCCCO1 ZINC000162296203 297450682 /nfs/dbraw/zinc/45/06/82/297450682.db2.gz RLHAGJQVWUBQAA-NPQIQWPPSA-N -1 3 292.291 2.182 20 5 CEBDHM COc1ccc(CN(CC(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000514872033 313061130 /nfs/dbraw/zinc/06/11/30/313061130.db2.gz FLJIXNLCXDDDNI-UHFFFAOYSA-N -1 3 294.307 2.043 20 5 CEBDHM O=C([N-]c1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000734874383 574733125 /nfs/dbraw/zinc/73/31/25/574733125.db2.gz DMNYZXRINIZSIW-UHFFFAOYSA-N -1 3 274.236 2.108 20 5 CEBDHM CCCN(CC)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821094588 606240339 /nfs/dbraw/zinc/24/03/39/606240339.db2.gz MTZIULLAQPAVIJ-UHFFFAOYSA-N -1 3 276.300 2.011 20 5 CEBDHM CCCN(CC)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821094588 606240338 /nfs/dbraw/zinc/24/03/38/606240338.db2.gz MTZIULLAQPAVIJ-UHFFFAOYSA-N -1 3 276.300 2.011 20 5 CEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000824650584 608016779 /nfs/dbraw/zinc/01/67/79/608016779.db2.gz SBPUZQBTWNWJCB-QMMMGPOBSA-N -1 3 299.294 2.276 20 5 CEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000824650584 608016780 /nfs/dbraw/zinc/01/67/80/608016780.db2.gz SBPUZQBTWNWJCB-QMMMGPOBSA-N -1 3 299.294 2.276 20 5 CEBDHM CC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820875812 634558618 /nfs/dbraw/zinc/55/86/18/634558618.db2.gz GIQJJGSQJJGQRW-QMMMGPOBSA-N -1 3 276.300 2.010 20 5 CEBDHM CC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820875812 634558624 /nfs/dbraw/zinc/55/86/24/634558624.db2.gz GIQJJGSQJJGQRW-QMMMGPOBSA-N -1 3 276.300 2.010 20 5 CEBDHM COCCN(CCC(=O)[O-])[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903711518 635243519 /nfs/dbraw/zinc/24/35/19/635243519.db2.gz BAWKGKFFIMBFMR-NSHDSACASA-N -1 3 296.323 2.079 20 5 CEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OC1CCC1 ZINC000836798675 638708175 /nfs/dbraw/zinc/70/81/75/638708175.db2.gz AGXCDTCLYQKWHG-UHFFFAOYSA-N -1 3 284.699 2.391 20 5 CEBDHM CCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000844085607 640601219 /nfs/dbraw/zinc/60/12/19/640601219.db2.gz FHCRXPKVIYHJEO-UHFFFAOYSA-N -1 3 272.688 2.249 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846215469 641225502 /nfs/dbraw/zinc/22/55/02/641225502.db2.gz QITSGNLEZOVJSX-VIFPVBQESA-N -1 3 284.287 2.370 20 5 CEBDHM O=C([N-]OCCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000868554166 648168082 /nfs/dbraw/zinc/16/80/82/648168082.db2.gz PIJJQOFZMRMRIJ-UHFFFAOYSA-N -1 3 268.244 2.195 20 5 CEBDHM COc1cc(CN[C@H]2CC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000337714130 214229733 /nfs/dbraw/zinc/22/97/33/214229733.db2.gz PUCIBAXFCRRAQS-LBPRGKRZSA-N -1 3 266.297 2.197 20 5 CEBDHM O=C([O-])C[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000042163787 362064482 /nfs/dbraw/zinc/06/44/82/362064482.db2.gz SQFWWHMRBJYIMC-NSHDSACASA-N -1 3 264.281 2.034 20 5 CEBDHM CC[C@@H](C)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000449635436 282312353 /nfs/dbraw/zinc/31/23/53/282312353.db2.gz YCDZLQMFTGVNRA-GFCCVEGCSA-N -1 3 293.367 2.217 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C)CCC2)cc1C ZINC000167408552 344478327 /nfs/dbraw/zinc/47/83/27/344478327.db2.gz AQUGPYDFSLCWBF-UHFFFAOYSA-N -1 3 298.364 2.433 20 5 CEBDHM CCOc1cc(CN(C)[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000595280646 345753869 /nfs/dbraw/zinc/75/38/69/345753869.db2.gz SFTMMVDLTSBQDF-JTQLQIEISA-N -1 3 296.323 2.289 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCCSC2)c1[N+](=O)[O-] ZINC000596152464 345953322 /nfs/dbraw/zinc/95/33/22/345953322.db2.gz YLMGPPXUHKWNTB-SSDOTTSWSA-N -1 3 255.299 2.003 20 5 CEBDHM CC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596076728 345934237 /nfs/dbraw/zinc/93/42/37/345934237.db2.gz OCNZGVMTCJIMET-VIFPVBQESA-N -1 3 251.286 2.322 20 5 CEBDHM CC1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C(C)(C)O1 ZINC000596188595 345964764 /nfs/dbraw/zinc/96/47/64/345964764.db2.gz YSFPNTJILGOBAJ-SECBINFHSA-N -1 3 281.312 2.453 20 5 CEBDHM CC[C@H](C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596251188 345980980 /nfs/dbraw/zinc/98/09/80/345980980.db2.gz ZZJTUUWHOXHVOE-WPRPVWTQSA-N -1 3 269.301 2.168 20 5 CEBDHM C[C@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])c1nccs1 ZINC000596195651 345966412 /nfs/dbraw/zinc/96/64/12/345966412.db2.gz SUJJRIFSAPZZBJ-MRVPVSSYSA-N -1 3 294.336 2.392 20 5 CEBDHM COCCn1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000129774849 365892780 /nfs/dbraw/zinc/89/27/80/365892780.db2.gz PBMWLQACFWFCTI-UHFFFAOYSA-N -1 3 297.702 2.230 20 5 CEBDHM CCOc1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000610434927 347681245 /nfs/dbraw/zinc/68/12/45/347681245.db2.gz QUKLEYWRKIRPET-UHFFFAOYSA-N -1 3 277.236 2.234 20 5 CEBDHM Cn1ncc([N-]c2cccnc2[N+](=O)[O-])c1C(F)F ZINC000611143806 347744154 /nfs/dbraw/zinc/74/41/54/347744154.db2.gz NEQKYRXUSYCJJL-UHFFFAOYSA-N -1 3 269.211 2.405 20 5 CEBDHM C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C(=O)[O-] ZINC000336849457 365925914 /nfs/dbraw/zinc/92/59/14/365925914.db2.gz ROAPGAZSDROJFK-NOZJJQNGSA-N -1 3 296.298 2.419 20 5 CEBDHM C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000340685089 366985863 /nfs/dbraw/zinc/98/58/63/366985863.db2.gz ZPSUQYBYUMXWFE-SECBINFHSA-N -1 3 290.275 2.418 20 5 CEBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(F)c1 ZINC000187542331 369175559 /nfs/dbraw/zinc/17/55/59/369175559.db2.gz VLTCICHMDXTDQH-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM Cc1cn2cc([N-]c3ncc([N+](=O)[O-])cn3)ccc2n1 ZINC000354610029 370433030 /nfs/dbraw/zinc/43/30/30/370433030.db2.gz VMTYFSULQAYABU-UHFFFAOYSA-N -1 3 270.252 2.085 20 5 CEBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OCc1cccnc1 ZINC000255072725 371554766 /nfs/dbraw/zinc/55/47/66/371554766.db2.gz MGNJUUSNWXOYSS-YVMONPNESA-N -1 3 299.286 2.251 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]O[C@@H]1CCCCO1 ZINC000255322978 371576285 /nfs/dbraw/zinc/57/62/85/371576285.db2.gz AIEDOJPTZNKGSL-QIAWRQBBSA-N -1 3 292.291 2.182 20 5 CEBDHM CCC[C@]1(CO)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330465429 377147199 /nfs/dbraw/zinc/14/71/99/377147199.db2.gz VWPGCEVEWVNYKT-OAHLLOKOSA-N -1 3 294.351 2.427 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000332128733 377522963 /nfs/dbraw/zinc/52/29/63/377522963.db2.gz DIGUHELTCLZKAP-WDEREUQCSA-N -1 3 298.364 2.146 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000492939060 380736213 /nfs/dbraw/zinc/73/62/13/380736213.db2.gz BYTBRNMKQWUNMA-BQYQJAHWSA-N -1 3 276.292 2.456 20 5 CEBDHM C[C@H](NC1CC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423748724 394974917 /nfs/dbraw/zinc/97/49/17/394974917.db2.gz UUOOSLIANMRRFZ-LURJTMIESA-N -1 3 299.714 2.033 20 5 CEBDHM CSc1ccc(C(=O)[N-]c2nc(C)no2)cc1[N+](=O)[O-] ZINC000193791682 395415545 /nfs/dbraw/zinc/41/55/45/395415545.db2.gz CGOATNJEBGPHTA-UHFFFAOYSA-N -1 3 294.292 2.260 20 5 CEBDHM CC(C)O[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493814315 395675541 /nfs/dbraw/zinc/67/55/41/395675541.db2.gz OLTLCWPRXYROCI-XQRVVYSFSA-N -1 3 268.244 2.203 20 5 CEBDHM Cc1c(CN(C)C[C@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000042707475 174849965 /nfs/dbraw/zinc/84/99/65/174849965.db2.gz KWACKDURGARLCY-VIFPVBQESA-N -1 3 266.297 2.056 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccccc1[N+](=O)[O-] ZINC000397479669 270354291 /nfs/dbraw/zinc/35/42/91/270354291.db2.gz CXMTYOLXWHTSTM-PWSUYJOCSA-N -1 3 278.308 2.280 20 5 CEBDHM NC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCCCC1 ZINC000424340800 271049835 /nfs/dbraw/zinc/04/98/35/271049835.db2.gz HUWVFCLLKRYOBF-UHFFFAOYSA-N -1 3 277.284 2.091 20 5 CEBDHM CO[C@H]1C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000459729010 290218884 /nfs/dbraw/zinc/21/88/84/290218884.db2.gz DBEAQWDCNQFYDB-KBPBESRZSA-N -1 3 292.335 2.348 20 5 CEBDHM CC(C)CO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492223839 290594470 /nfs/dbraw/zinc/59/44/70/290594470.db2.gz VXJALKQXTDONSX-XQRVVYSFSA-N -1 3 282.271 2.451 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C1 ZINC000131917396 302048500 /nfs/dbraw/zinc/04/85/00/302048500.db2.gz UAVFEZPEMDKMIC-MWLCHTKSSA-N -1 3 298.364 2.370 20 5 CEBDHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000825479675 603621697 /nfs/dbraw/zinc/62/16/97/603621697.db2.gz PFGIXICRTALHLB-PWSUYJOCSA-N -1 3 293.323 2.388 20 5 CEBDHM CCC[C@@H](NCCNC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000826763279 604911783 /nfs/dbraw/zinc/91/17/83/604911783.db2.gz AOUNDVVUNHIFKQ-GFCCVEGCSA-N -1 3 281.312 2.293 20 5 CEBDHM CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC000820623499 606428970 /nfs/dbraw/zinc/42/89/70/606428970.db2.gz SIQLDCYOUDXYFV-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC000820623499 606428972 /nfs/dbraw/zinc/42/89/72/606428972.db2.gz SIQLDCYOUDXYFV-UHFFFAOYSA-N -1 3 288.311 2.377 20 5 CEBDHM O=[N+]([O-])c1cc(NCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000823634934 606644675 /nfs/dbraw/zinc/64/46/75/606644675.db2.gz OOVDAPVVQRRPRE-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM C[C@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820683685 606876570 /nfs/dbraw/zinc/87/65/70/606876570.db2.gz FTCVRVSZYBROCM-IUCAKERBSA-N -1 3 288.311 2.152 20 5 CEBDHM C[C@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820683685 606876571 /nfs/dbraw/zinc/87/65/71/606876571.db2.gz FTCVRVSZYBROCM-IUCAKERBSA-N -1 3 288.311 2.152 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000896086594 630460320 /nfs/dbraw/zinc/46/03/20/630460320.db2.gz CTEPXWYJEHJPCS-NTSWFWBYSA-N -1 3 277.202 2.306 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000884660035 652965255 /nfs/dbraw/zinc/96/52/55/652965255.db2.gz JNHSKCSRZKDYMX-SECBINFHSA-N -1 3 279.296 2.067 20 5 CEBDHM C[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692155 805964113 /nfs/dbraw/zinc/96/41/13/805964113.db2.gz UQXKFDNUFMUSSZ-YUMQZZPRSA-N -1 3 262.269 2.434 20 5 CEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2ccon2)c1F ZINC000235887968 814625215 /nfs/dbraw/zinc/62/52/15/814625215.db2.gz BTEKZIKPCAZBKW-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC001138165544 815741392 /nfs/dbraw/zinc/74/13/92/815741392.db2.gz RCISFTFBWHTJCN-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM CCOc1cc(CN(C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567595896 299064745 /nfs/dbraw/zinc/06/47/45/299064745.db2.gz RTYJTQOCYDWJER-JTQLQIEISA-N -1 3 296.323 2.146 20 5 CEBDHM CC[C@H](C)N(CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000037598753 343429032 /nfs/dbraw/zinc/42/90/32/343429032.db2.gz IBDLJUJVDQTAFT-JTQLQIEISA-N -1 3 266.297 2.280 20 5 CEBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1[O-] ZINC000054168249 343586122 /nfs/dbraw/zinc/58/61/22/343586122.db2.gz KYGVYAUACCXUGV-UHFFFAOYSA-N -1 3 286.287 2.273 20 5 CEBDHM COc1ccnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000129055765 344339827 /nfs/dbraw/zinc/33/98/27/344339827.db2.gz RFCRJILCULSMMQ-UHFFFAOYSA-N -1 3 279.277 2.312 20 5 CEBDHM CC(C)C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339037681 214914126 /nfs/dbraw/zinc/91/41/26/214914126.db2.gz QHHXVSRSXWCTQG-UHFFFAOYSA-N -1 3 284.337 2.062 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000587510694 345030321 /nfs/dbraw/zinc/03/03/21/345030321.db2.gz YHLQGXDULUFQPT-UHFFFAOYSA-N -1 3 296.286 2.225 20 5 CEBDHM CC(C)CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595370082 345769784 /nfs/dbraw/zinc/76/97/84/345769784.db2.gz UFDJAFNFFUMRRO-UHFFFAOYSA-N -1 3 298.364 2.452 20 5 CEBDHM CCC1(O)CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596186133 345964245 /nfs/dbraw/zinc/96/42/45/345964245.db2.gz UPZDNGKCDYPVPN-UHFFFAOYSA-N -1 3 281.312 2.191 20 5 CEBDHM Cc1occc1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596085480 345936458 /nfs/dbraw/zinc/93/64/58/345936458.db2.gz HULSEKOENLKITL-UHFFFAOYSA-N -1 3 263.253 2.233 20 5 CEBDHM CO[C@]1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596144129 345950837 /nfs/dbraw/zinc/95/08/37/345950837.db2.gz AMGPIVWVQJJINM-NOZJJQNGSA-N -1 3 281.312 2.311 20 5 CEBDHM C[C@H]1CC2(CCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596208796 345969902 /nfs/dbraw/zinc/96/99/02/345969902.db2.gz MSKSXETWABEBMJ-VIFPVBQESA-N -1 3 263.297 2.464 20 5 CEBDHM C[C@H]1CC2(CN1c1cc[n-]c(=O)c1[N+](=O)[O-])CCOCC2 ZINC000596293734 345992996 /nfs/dbraw/zinc/99/29/96/345992996.db2.gz WTGZPFIWMLSSCH-JTQLQIEISA-N -1 3 293.323 2.091 20 5 CEBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000596296949 345993330 /nfs/dbraw/zinc/99/33/30/345993330.db2.gz OCGMEJBNMHKWPL-QMMMGPOBSA-N -1 3 297.311 2.085 20 5 CEBDHM C[C@]1(C(=O)[O-])CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062876584 362727780 /nfs/dbraw/zinc/72/77/80/362727780.db2.gz XSXZJSSNOARNRI-AWEZNQCLSA-N -1 3 278.308 2.282 20 5 CEBDHM Cc1c(CN2CC[C@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000062935347 362735030 /nfs/dbraw/zinc/73/50/30/362735030.db2.gz VIXYRGJTESPLAK-AWEZNQCLSA-N -1 3 278.308 2.200 20 5 CEBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599119615 346462761 /nfs/dbraw/zinc/46/27/61/346462761.db2.gz VACKMWQIURQLDD-OCAPTIKFSA-N -1 3 287.266 2.423 20 5 CEBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000601195437 346783347 /nfs/dbraw/zinc/78/33/47/346783347.db2.gz NXBXVRDWFOVCRL-MRVPVSSYSA-N -1 3 296.714 2.172 20 5 CEBDHM Cc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000604505316 347418521 /nfs/dbraw/zinc/41/85/21/347418521.db2.gz DAYHPVAYDLJGOK-UHFFFAOYSA-N -1 3 299.286 2.207 20 5 CEBDHM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCC2CC2)ccc1F ZINC000129939144 365908792 /nfs/dbraw/zinc/90/87/92/365908792.db2.gz WRWSZIQQGJBWAB-UHFFFAOYSA-N -1 3 288.300 2.276 20 5 CEBDHM Cc1c(CC(=O)[N-]OC2CCCC2)cccc1[N+](=O)[O-] ZINC000271824061 191351046 /nfs/dbraw/zinc/35/10/46/191351046.db2.gz VYQAXJYYHLEMAL-UHFFFAOYSA-N -1 3 278.308 2.436 20 5 CEBDHM CC/C=C/C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000451779798 283102936 /nfs/dbraw/zinc/10/29/36/283102936.db2.gz VHRVKRVPRKFJKX-AATRIKPKSA-N -1 3 298.364 2.456 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000416561761 236830397 /nfs/dbraw/zinc/83/03/97/236830397.db2.gz OZZBIUKZCRTVKT-OUAUKWLOSA-N -1 3 296.348 2.062 20 5 CEBDHM CO[C@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339091993 366649663 /nfs/dbraw/zinc/64/96/63/366649663.db2.gz RAVVFUNZUGHZPD-JSGCOSHPSA-N -1 3 280.324 2.348 20 5 CEBDHM Cc1c(CN2CC[C@H](C(=O)[O-])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000092924740 364118411 /nfs/dbraw/zinc/11/84/11/364118411.db2.gz AAJOFNXWAKZYNV-JQWIXIFHSA-N -1 3 278.308 2.198 20 5 CEBDHM O=C(Nc1cccc(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121072178 365520556 /nfs/dbraw/zinc/52/05/56/365520556.db2.gz HMRZQCBQFZKNLS-UHFFFAOYSA-N -1 3 277.211 2.087 20 5 CEBDHM O=[N+]([O-])c1cccc(F)c1NCc1ncccc1[O-] ZINC000343052016 216641733 /nfs/dbraw/zinc/64/17/33/216641733.db2.gz INNLQMYJILXJBG-UHFFFAOYSA-N -1 3 263.228 2.447 20 5 CEBDHM CCc1[nH]nc(C(=O)Nc2cccc(C)c2[O-])c1[N+](=O)[O-] ZINC000174944352 368082011 /nfs/dbraw/zinc/08/20/11/368082011.db2.gz QDPMCHXGSHSGGI-UHFFFAOYSA-N -1 3 290.279 2.147 20 5 CEBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186748705 369033470 /nfs/dbraw/zinc/03/34/70/369033470.db2.gz PGVGCMWOWDOOKQ-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM CC[C@H](C)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000262726947 371902510 /nfs/dbraw/zinc/90/25/10/371902510.db2.gz ZQTPWWMOXMKEAA-UFBFGSQYSA-N -1 3 284.287 2.323 20 5 CEBDHM CSCCO[N-]C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000280097615 375089460 /nfs/dbraw/zinc/08/94/60/375089460.db2.gz UJKKYKHOEPIMSO-MDZDMXLPSA-N -1 3 296.348 2.409 20 5 CEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)[N-]OCC1CC1 ZINC000293791513 377759998 /nfs/dbraw/zinc/75/99/98/377759998.db2.gz ORZMHJURBXFHSR-UHFFFAOYSA-N -1 3 293.323 2.245 20 5 CEBDHM Cc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000514602645 379129987 /nfs/dbraw/zinc/12/99/87/379129987.db2.gz IILPIPLZIGDPJR-GWCFXTLKSA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1ccnc([N-]c2cnn(-c3ncccn3)c2)c1[N+](=O)[O-] ZINC000301369561 379267909 /nfs/dbraw/zinc/26/79/09/379267909.db2.gz PMRUVFRBTLQLRF-UHFFFAOYSA-N -1 3 297.278 2.018 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OC/C=C/Cl ZINC000493123097 380808447 /nfs/dbraw/zinc/80/84/47/380808447.db2.gz UNODAZBCZJHAJH-OHRKGSQHSA-N -1 3 282.683 2.408 20 5 CEBDHM CCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000048840259 394533053 /nfs/dbraw/zinc/53/30/53/394533053.db2.gz HAEQWEQZTYFNEU-UHFFFAOYSA-N -1 3 286.353 2.290 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000330410293 394606219 /nfs/dbraw/zinc/60/62/19/394606219.db2.gz KTRMYXSVHGWZAH-SNVBAGLBSA-N -1 3 286.353 2.226 20 5 CEBDHM COC(=O)c1cnc(SCc2csc([N+](=O)[O-])c2)[n-]1 ZINC000432672191 395175938 /nfs/dbraw/zinc/17/59/38/395175938.db2.gz SQLNNINEPSHZDU-UHFFFAOYSA-N -1 3 299.333 2.458 20 5 CEBDHM CCO[N-]C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296745209 395327704 /nfs/dbraw/zinc/32/77/04/395327704.db2.gz NMOQIVRHQDRNQB-UHFFFAOYSA-N -1 3 257.221 2.115 20 5 CEBDHM O=[N+]([O-])c1ccc(NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000359711506 155120387 /nfs/dbraw/zinc/12/03/87/155120387.db2.gz JKWNSDLYCRCAGQ-UHFFFAOYSA-N -1 3 287.201 2.344 20 5 CEBDHM O=[N+]([O-])c1ccc(NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000359711506 155120389 /nfs/dbraw/zinc/12/03/89/155120389.db2.gz JKWNSDLYCRCAGQ-UHFFFAOYSA-N -1 3 287.201 2.344 20 5 CEBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000359711506 155120392 /nfs/dbraw/zinc/12/03/92/155120392.db2.gz JKWNSDLYCRCAGQ-UHFFFAOYSA-N -1 3 287.201 2.344 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2[O-])n1 ZINC000191875605 227201754 /nfs/dbraw/zinc/20/17/54/227201754.db2.gz BQFNAADXWZKFOW-UHFFFAOYSA-N -1 3 290.279 2.078 20 5 CEBDHM CC(C)O[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000393510503 270343485 /nfs/dbraw/zinc/34/34/85/270343485.db2.gz OCCHGPREKMHXDF-SREVYHEPSA-N -1 3 250.254 2.064 20 5 CEBDHM O=[N+]([O-])c1cccc2c1CCN(Cc1ncccc1[O-])C2 ZINC000567280208 299048901 /nfs/dbraw/zinc/04/89/01/299048901.db2.gz APFSTYWJQXEYSP-UHFFFAOYSA-N -1 3 285.303 2.254 20 5 CEBDHM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc([O-])c1F ZINC000181273039 312785151 /nfs/dbraw/zinc/78/51/51/312785151.db2.gz HSQSIPOOXHLEPM-UHFFFAOYSA-N -1 3 291.238 2.274 20 5 CEBDHM O=[N+]([O-])c1cnc([N-]c2cnn(-c3ccccn3)c2)s1 ZINC000516387006 313087752 /nfs/dbraw/zinc/08/77/52/313087752.db2.gz YZVIQSCYIPKZEA-UHFFFAOYSA-N -1 3 288.292 2.376 20 5 CEBDHM O=[N+]([O-])c1ccc(CNc2ccccc2-c2nnn[n-]2)cc1 ZINC000738359025 574437263 /nfs/dbraw/zinc/43/72/63/574437263.db2.gz ILIVOWHTURAHTK-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM O=[N+]([O-])c1ccc(CNc2ccccc2-c2nn[n-]n2)cc1 ZINC000738359025 574437264 /nfs/dbraw/zinc/43/72/64/574437264.db2.gz ILIVOWHTURAHTK-UHFFFAOYSA-N -1 3 296.290 2.387 20 5 CEBDHM C[C@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736261961 574780430 /nfs/dbraw/zinc/78/04/30/574780430.db2.gz LTNTVQINTZFDHD-WCBMZHEXSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736261961 574780431 /nfs/dbraw/zinc/78/04/31/574780431.db2.gz LTNTVQINTZFDHD-WCBMZHEXSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736264326 574780622 /nfs/dbraw/zinc/78/06/22/574780622.db2.gz VTMCNYPALVXELX-GZMMTYOYSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736264326 574780623 /nfs/dbraw/zinc/78/06/23/574780623.db2.gz VTMCNYPALVXELX-GZMMTYOYSA-N -1 3 288.311 2.375 20 5 CEBDHM CCCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736447970 574788998 /nfs/dbraw/zinc/78/89/98/574788998.db2.gz WGIWVVJYEYMOJX-UHFFFAOYSA-N -1 3 291.315 2.162 20 5 CEBDHM CCCCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736447970 574788999 /nfs/dbraw/zinc/78/89/99/574788999.db2.gz WGIWVVJYEYMOJX-UHFFFAOYSA-N -1 3 291.315 2.162 20 5 CEBDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc([N+](=O)[O-])nc1 ZINC000737221798 574816633 /nfs/dbraw/zinc/81/66/33/574816633.db2.gz RPZZZZYUXGFAPC-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc([N+](=O)[O-])nc1 ZINC000737221798 574816634 /nfs/dbraw/zinc/81/66/34/574816634.db2.gz RPZZZZYUXGFAPC-UHFFFAOYSA-N -1 3 298.262 2.271 20 5 CEBDHM CC(C)N(CC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000037994718 598077924 /nfs/dbraw/zinc/07/79/24/598077924.db2.gz HXWKRUGCHIPBQU-UHFFFAOYSA-N -1 3 270.260 2.029 20 5 CEBDHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000825480271 603621394 /nfs/dbraw/zinc/62/13/94/603621394.db2.gz VIEQXZHSMRGXCA-WDEREUQCSA-N -1 3 293.323 2.388 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000794864057 629341452 /nfs/dbraw/zinc/34/14/52/629341452.db2.gz KDLUKSFAEXDURX-JTQLQIEISA-N -1 3 296.323 2.240 20 5 CEBDHM O=c1[n-]ccc(NCCOC2CCSCC2)c1[N+](=O)[O-] ZINC000897509847 631600700 /nfs/dbraw/zinc/60/07/00/631600700.db2.gz DDHRXBLRMCVNEJ-UHFFFAOYSA-N -1 3 299.352 2.020 20 5 CEBDHM Cc1ncc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000853453117 643775464 /nfs/dbraw/zinc/77/54/64/643775464.db2.gz UETVJUNUYJEASZ-UHFFFAOYSA-N -1 3 280.309 2.115 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000853717312 643875629 /nfs/dbraw/zinc/87/56/29/643875629.db2.gz ZBDRAIDUQZJRSP-NSHDSACASA-N -1 3 285.250 2.321 20 5 CEBDHM O=[N+]([O-])c1sccc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000775541547 646964266 /nfs/dbraw/zinc/96/42/66/646964266.db2.gz CJOPWGQTLUEKAE-UHFFFAOYSA-N -1 3 293.230 2.405 20 5 CEBDHM C[C@@]1(C(F)(F)F)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000872729386 649471351 /nfs/dbraw/zinc/47/13/51/649471351.db2.gz RZGXVQKRKCUXIA-SNVBAGLBSA-N -1 3 291.229 2.474 20 5 CEBDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000716631160 815137350 /nfs/dbraw/zinc/13/73/50/815137350.db2.gz LRVICRIKGZCICZ-XFWSIPNHSA-N -1 3 263.297 2.399 20 5 CEBDHM CO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001136152984 813636008 /nfs/dbraw/zinc/63/60/08/813636008.db2.gz POQKWQMMEKKMCF-UHFFFAOYSA-N -1 3 283.042 2.332 20 5 CEBDHM CCc1nnsc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000347987630 529769706 /nfs/dbraw/zinc/76/97/06/529769706.db2.gz SNDAVRUEIHZAPV-UHFFFAOYSA-N -1 3 296.283 2.400 20 5 CEBDHM O=C([O-])CCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000602069299 346969050 /nfs/dbraw/zinc/96/90/50/346969050.db2.gz XJTWDSQMQFASEB-UHFFFAOYSA-N -1 3 270.260 2.078 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1CN(CCC(=O)[O-])C(C)C ZINC000593747101 345531930 /nfs/dbraw/zinc/53/19/30/345531930.db2.gz RYFSVFRMVDSSSE-UHFFFAOYSA-N -1 3 296.323 2.289 20 5 CEBDHM CC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596076727 345934151 /nfs/dbraw/zinc/93/41/51/345934151.db2.gz OCNZGVMTCJIMET-SECBINFHSA-N -1 3 251.286 2.322 20 5 CEBDHM O=c1[n-]ccc(N2CCC(OCC3CC3)CC2)c1[N+](=O)[O-] ZINC000596144539 345951100 /nfs/dbraw/zinc/95/11/00/345951100.db2.gz IBPOHNZZESDYMA-UHFFFAOYSA-N -1 3 293.323 2.091 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000596149051 345952351 /nfs/dbraw/zinc/95/23/51/345952351.db2.gz OYFQAANEOYPBIR-AWEZNQCLSA-N -1 3 293.323 2.092 20 5 CEBDHM CSC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596214855 345970997 /nfs/dbraw/zinc/97/09/97/345970997.db2.gz ICTRORFCKNYNBU-UHFFFAOYSA-N -1 3 255.299 2.003 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CCCSC2)c1[N+](=O)[O-] ZINC000596234763 345976358 /nfs/dbraw/zinc/97/63/58/345976358.db2.gz CFRLSUALXSXEHO-MRVPVSSYSA-N -1 3 269.326 2.251 20 5 CEBDHM O=c1[n-]ccc(N2CCC(OC3CCC3)CC2)c1[N+](=O)[O-] ZINC000596271458 345987481 /nfs/dbraw/zinc/98/74/81/345987481.db2.gz CXHUTWCNLQAXCL-UHFFFAOYSA-N -1 3 293.323 2.233 20 5 CEBDHM C[C@H]1SCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596291865 345992748 /nfs/dbraw/zinc/99/27/48/345992748.db2.gz KWNNDCWWNGDNJS-RQJHMYQMSA-N -1 3 255.299 2.001 20 5 CEBDHM O=C([N-]c1cc([C@@H]2CCCO2)[nH]n1)c1ccc([N+](=O)[O-])o1 ZINC000597840937 346237649 /nfs/dbraw/zinc/23/76/49/346237649.db2.gz BPXNXVXKTFJURC-QMMMGPOBSA-N -1 3 292.251 2.015 20 5 CEBDHM Cc1cc(N2Cc3nc(C)[n-]c(=O)c3C2)c([N+](=O)[O-])s1 ZINC000603414879 347364161 /nfs/dbraw/zinc/36/41/61/347364161.db2.gz AHVISKZXPNBZNB-UHFFFAOYSA-N -1 3 292.320 2.289 20 5 CEBDHM Cc1nn(C)c([N-]c2cnn(C)c2C(F)F)c1[N+](=O)[O-] ZINC000611143839 347744297 /nfs/dbraw/zinc/74/42/97/347744297.db2.gz UEJJOYUOKUYWCW-UHFFFAOYSA-N -1 3 286.242 2.051 20 5 CEBDHM C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C(=O)[O-] ZINC000336849458 365925283 /nfs/dbraw/zinc/92/52/83/365925283.db2.gz ROAPGAZSDROJFK-RNCFNFMXSA-N -1 3 296.298 2.419 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1coc(C)n1 ZINC000619866095 349240332 /nfs/dbraw/zinc/24/03/32/349240332.db2.gz PXJWMECIOYGRJR-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000104762329 186021244 /nfs/dbraw/zinc/02/12/44/186021244.db2.gz FXUMFCVXISVGII-QWRGUYRKSA-N -1 3 298.364 2.370 20 5 CEBDHM CCCS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000070237831 363059619 /nfs/dbraw/zinc/05/96/19/363059619.db2.gz NZABICNQTDHQBI-UHFFFAOYSA-N -1 3 258.299 2.055 20 5 CEBDHM CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122647354 187043707 /nfs/dbraw/zinc/04/37/07/187043707.db2.gz KVDYARIEJCLYAV-LURJTMIESA-N -1 3 278.355 2.042 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000292385078 198268250 /nfs/dbraw/zinc/26/82/50/198268250.db2.gz ZKVZGJQUTLWXQK-ZETCQYMHSA-N -1 3 258.299 2.364 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC1CC1 ZINC000292733432 198392951 /nfs/dbraw/zinc/39/29/51/198392951.db2.gz IPKXLNZDLJWGFC-UHFFFAOYSA-N -1 3 265.269 2.366 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC([O-])=NOC(C)(C)CO ZINC000297726226 200269021 /nfs/dbraw/zinc/26/90/21/200269021.db2.gz IZEJRYMYQRTOBN-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)[N-]OC(C)(C)CO ZINC000297726226 200269022 /nfs/dbraw/zinc/26/90/22/200269022.db2.gz IZEJRYMYQRTOBN-UHFFFAOYSA-N -1 3 297.311 2.036 20 5 CEBDHM C[C@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000339082845 366645627 /nfs/dbraw/zinc/64/56/27/366645627.db2.gz KPUYFJLCZNRCLV-CABCVRRESA-N -1 3 292.335 2.348 20 5 CEBDHM Cc1noc(C)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000340264253 366822636 /nfs/dbraw/zinc/82/26/36/366822636.db2.gz MFLGVXJCLXYHKU-UHFFFAOYSA-N -1 3 261.237 2.452 20 5 CEBDHM O=[N+]([O-])c1cc([N-]S(=O)(=O)C2CC2)ccc1Cl ZINC000171330189 367524528 /nfs/dbraw/zinc/52/45/28/367524528.db2.gz KROPDTAAYMYNJJ-UHFFFAOYSA-N -1 3 276.701 2.152 20 5 CEBDHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000172666027 367795510 /nfs/dbraw/zinc/79/55/10/367795510.db2.gz JAZWOJZHYGZIMD-JTQLQIEISA-N -1 3 286.353 2.165 20 5 CEBDHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000172666033 367795808 /nfs/dbraw/zinc/79/58/08/367795808.db2.gz JAZWOJZHYGZIMD-SNVBAGLBSA-N -1 3 286.353 2.165 20 5 CEBDHM Cc1cc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sn1 ZINC000269594444 372499977 /nfs/dbraw/zinc/49/99/77/372499977.db2.gz NMDKZNIXVGAGHA-UHFFFAOYSA-N -1 3 295.324 2.459 20 5 CEBDHM COCc1nc(Sc2ccc(C)cc2[N+](=O)[O-])n[n-]1 ZINC000269914179 372599212 /nfs/dbraw/zinc/59/92/12/372599212.db2.gz IZKZNNRCFKMXMZ-UHFFFAOYSA-N -1 3 280.309 2.319 20 5 CEBDHM C[C@H]1CC([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])=NO1 ZINC000272159700 373335432 /nfs/dbraw/zinc/33/54/32/373335432.db2.gz SWJIPRNHPIWELF-LURJTMIESA-N -1 3 283.671 2.100 20 5 CEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(F)c2Cl)n1 ZINC000345429783 217553146 /nfs/dbraw/zinc/55/31/46/217553146.db2.gz RURDSCOMBFKWHW-UHFFFAOYSA-N -1 3 298.661 2.373 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000416561762 376095004 /nfs/dbraw/zinc/09/50/04/376095004.db2.gz OZZBIUKZCRTVKT-VWYCJHECSA-N -1 3 296.348 2.062 20 5 CEBDHM O=C([N-]OCC1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000293896482 377811955 /nfs/dbraw/zinc/81/19/55/377811955.db2.gz ZESWDUBLAVGXIW-UHFFFAOYSA-N -1 3 270.672 2.320 20 5 CEBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OCC1CC1 ZINC000295634366 378244906 /nfs/dbraw/zinc/24/49/06/378244906.db2.gz QECFOTZTBYOZAQ-UHFFFAOYSA-N -1 3 292.291 2.016 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OC(C)C)c1 ZINC000296783077 378647890 /nfs/dbraw/zinc/64/78/90/378647890.db2.gz DCJACLPANXGJMW-UHFFFAOYSA-N -1 3 282.296 2.128 20 5 CEBDHM Cc1ncc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000346801274 218019535 /nfs/dbraw/zinc/01/95/35/218019535.db2.gz SBAGUYPIAKECRR-SECBINFHSA-N -1 3 288.307 2.250 20 5 CEBDHM CCc1coc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000549847887 380612396 /nfs/dbraw/zinc/61/23/96/380612396.db2.gz ZOLDCFFHKZBYGB-UHFFFAOYSA-N -1 3 267.266 2.459 20 5 CEBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OC/C=C\Cl ZINC000493451105 380994823 /nfs/dbraw/zinc/99/48/23/380994823.db2.gz MHZJLNBAPGVPSN-CHDHBYOMSA-N -1 3 282.683 2.408 20 5 CEBDHM CCN1CCC[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211430796 394448313 /nfs/dbraw/zinc/44/83/13/394448313.db2.gz LEQDDUBYGNUPHS-LLVKDONJSA-N -1 3 293.323 2.189 20 5 CEBDHM Cc1ccc(CNCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000355327899 395413558 /nfs/dbraw/zinc/41/35/58/395413558.db2.gz HDRITNSPERQKKG-UHFFFAOYSA-N -1 3 273.292 2.294 20 5 CEBDHM CC(C)(CCNCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263100344 154018909 /nfs/dbraw/zinc/01/89/09/154018909.db2.gz WLSXOSADCOLILL-UHFFFAOYSA-N -1 3 272.326 2.247 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1CN([C@H](C)C(=O)[O-])C1CC1 ZINC000263364279 154068221 /nfs/dbraw/zinc/06/82/21/154068221.db2.gz VNOFNOXOHDKYJN-SECBINFHSA-N -1 3 294.307 2.041 20 5 CEBDHM Cc1noc([N-]C(=O)COc2ccccc2[N+](=O)[O-])c1C ZINC000359733483 155124274 /nfs/dbraw/zinc/12/42/74/155124274.db2.gz XSMIHKBLHCQZEL-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c([O-])c1 ZINC000040420662 174257439 /nfs/dbraw/zinc/25/74/39/174257439.db2.gz HHKOYPCECRUIGX-UHFFFAOYSA-N -1 3 261.237 2.189 20 5 CEBDHM O=C([N-]c1nc(-c2ccccc2)co1)c1n[nH]cc1[N+](=O)[O-] ZINC000339402636 527501247 /nfs/dbraw/zinc/50/12/47/527501247.db2.gz WORBWXRJARLIHK-UHFFFAOYSA-N -1 3 299.246 2.225 20 5 CEBDHM CC[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736321340 574782942 /nfs/dbraw/zinc/78/29/42/574782942.db2.gz BSUKGZHIPCSHSP-VIFPVBQESA-N -1 3 290.327 2.257 20 5 CEBDHM CC[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736321340 574782943 /nfs/dbraw/zinc/78/29/43/574782943.db2.gz BSUKGZHIPCSHSP-VIFPVBQESA-N -1 3 290.327 2.257 20 5 CEBDHM CN(CC1CCC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736794967 574797214 /nfs/dbraw/zinc/79/72/14/574797214.db2.gz ULBFJJXTXDEEIP-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM CN(CC1CCC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736794967 574797215 /nfs/dbraw/zinc/79/72/15/574797215.db2.gz ULBFJJXTXDEEIP-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM CN(CCC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077253472 597260197 /nfs/dbraw/zinc/26/01/97/597260197.db2.gz CRXUWNCOCPQZKZ-UHFFFAOYSA-N -1 3 272.688 2.155 20 5 CEBDHM C[C@@H](NCCN(C(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000825496000 603622060 /nfs/dbraw/zinc/62/20/60/603622060.db2.gz LRFSFWYPKKKENF-SNVBAGLBSA-N -1 3 293.323 2.388 20 5 CEBDHM COc1c([O-])ccc(CNC(C)(C)C(F)F)c1[N+](=O)[O-] ZINC000894148103 629171893 /nfs/dbraw/zinc/17/18/93/629171893.db2.gz OBZIPKIBQVZVMV-UHFFFAOYSA-N -1 3 290.266 2.442 20 5 CEBDHM O=c1[n-]ccc(N2C[C@@H]3C[C@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000895395160 630162636 /nfs/dbraw/zinc/16/26/36/630162636.db2.gz XSOMTVRXIFFKJM-BLLLJJGKSA-N -1 3 297.314 2.473 20 5 CEBDHM C[C@@]1(F)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853650720 643847203 /nfs/dbraw/zinc/84/72/03/643847203.db2.gz KAWIKCXIIDIXTQ-LLVKDONJSA-N -1 3 255.249 2.024 20 5 CEBDHM Cc1ncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1C ZINC001176677849 816454258 /nfs/dbraw/zinc/45/42/58/816454258.db2.gz DOBLTHIIJAUJRI-UHFFFAOYSA-N -1 3 276.252 2.079 20 5 CEBDHM COc1cc(Cl)ccc1OC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC001142464244 816671190 /nfs/dbraw/zinc/67/11/90/816671190.db2.gz JVLBCFHNEQHTSR-UHFFFAOYSA-N -1 3 297.654 2.199 20 5 CEBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1 ZINC000096971978 185144537 /nfs/dbraw/zinc/14/45/37/185144537.db2.gz BKEBPGLGZCPJBB-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM COc1ccc(F)c([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000088304438 344108297 /nfs/dbraw/zinc/10/82/97/344108297.db2.gz FMMBQORWFRNFPK-UHFFFAOYSA-N -1 3 294.242 2.026 20 5 CEBDHM CC(C)n1cnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000593234596 345456876 /nfs/dbraw/zinc/45/68/76/345456876.db2.gz WJSZKTHAAOBKHO-UHFFFAOYSA-N -1 3 293.258 2.159 20 5 CEBDHM CCOc1cc(CN2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593730714 345528575 /nfs/dbraw/zinc/52/85/75/345528575.db2.gz PLNPOXSCXAGYNI-LBPRGKRZSA-N -1 3 294.307 2.043 20 5 CEBDHM CC1(C)[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593736922 345530436 /nfs/dbraw/zinc/53/04/36/345530436.db2.gz DHPKCEKNAIENDH-TXEJJXNPSA-N -1 3 290.319 2.381 20 5 CEBDHM CC(C)[C@@H](O)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172857 345959321 /nfs/dbraw/zinc/95/93/21/345959321.db2.gz NJEBSVFPMIRJMS-LLVKDONJSA-N -1 3 283.328 2.150 20 5 CEBDHM O=c1[n-]ccc(N2CC(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596188078 345964664 /nfs/dbraw/zinc/96/46/64/345964664.db2.gz ADHTYAMDTNSLIO-UHFFFAOYSA-N -1 3 285.303 2.374 20 5 CEBDHM CC(C)CCOCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596091691 345938014 /nfs/dbraw/zinc/93/80/14/345938014.db2.gz CITPSSCXPUUVIM-UHFFFAOYSA-N -1 3 269.301 2.170 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000596119084 345943950 /nfs/dbraw/zinc/94/39/50/345943950.db2.gz KZLPHQISGHCCHX-VIFPVBQESA-N -1 3 275.264 2.282 20 5 CEBDHM CCCO[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596120555 345944465 /nfs/dbraw/zinc/94/44/65/345944465.db2.gz UKPGFWQSGAZHPX-LLVKDONJSA-N -1 3 295.339 2.481 20 5 CEBDHM C[C@@H](CCc1cccn1C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596136464 345947970 /nfs/dbraw/zinc/94/79/70/345947970.db2.gz AMSFQEYSQPJKCI-JTQLQIEISA-N -1 3 290.323 2.467 20 5 CEBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000596198388 345967203 /nfs/dbraw/zinc/96/72/03/345967203.db2.gz ZYZSICVZJLWNAA-GXTWGEPZSA-N -1 3 293.323 2.313 20 5 CEBDHM O=c1[n-]ccc(N2CC(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000596218106 345972321 /nfs/dbraw/zinc/97/23/21/345972321.db2.gz UMNFWRJZJSKKJQ-UHFFFAOYSA-N -1 3 263.297 2.322 20 5 CEBDHM O=c1[n-]ccc(N[C@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000596220030 345972805 /nfs/dbraw/zinc/97/28/05/345972805.db2.gz JYWFCDWFRGSKBI-ZETCQYMHSA-N -1 3 259.212 2.295 20 5 CEBDHM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596224646 345974496 /nfs/dbraw/zinc/97/44/96/345974496.db2.gz XWTXLEHDCQYMSV-RNFRBKRXSA-N -1 3 291.229 2.473 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596255543 345982443 /nfs/dbraw/zinc/98/24/43/345982443.db2.gz SWGVISATXGMZSD-SNVBAGLBSA-N -1 3 293.323 2.457 20 5 CEBDHM Nc1c(C(=O)Nc2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000176531567 232331056 /nfs/dbraw/zinc/33/10/56/232331056.db2.gz AWTCEHVWGISRIX-UHFFFAOYSA-N -1 3 273.248 2.135 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CCc3cccnc32)c1[N+](=O)[O-] ZINC000598946437 346435711 /nfs/dbraw/zinc/43/57/11/346435711.db2.gz RURDPXHJIVUIOA-JTQLQIEISA-N -1 3 286.291 2.232 20 5 CEBDHM Cc1c(CN2CC[C@@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000062935346 362735074 /nfs/dbraw/zinc/73/50/74/362735074.db2.gz VIXYRGJTESPLAK-CQSZACIVSA-N -1 3 278.308 2.200 20 5 CEBDHM C/C=C/C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000599474649 346525745 /nfs/dbraw/zinc/52/57/45/346525745.db2.gz AFEKUFOGPQSGID-SNAWJCMRSA-N -1 3 284.337 2.066 20 5 CEBDHM COCc1nc(Sc2ccsc2[N+](=O)[O-])n[n-]1 ZINC000601129129 346762528 /nfs/dbraw/zinc/76/25/28/346762528.db2.gz AUMDNDKYLVSBDO-UHFFFAOYSA-N -1 3 272.311 2.072 20 5 CEBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000601195438 346783330 /nfs/dbraw/zinc/78/33/30/346783330.db2.gz NXBXVRDWFOVCRL-QMMMGPOBSA-N -1 3 296.714 2.172 20 5 CEBDHM O=[N+]([O-])c1cnc([N-]c2cnn3c2CCCC3)c(F)c1 ZINC000601233750 346798024 /nfs/dbraw/zinc/79/80/24/346798024.db2.gz NXCPFMULKGWALR-UHFFFAOYSA-N -1 3 277.259 2.405 20 5 CEBDHM C[C@@H](SCCc1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000603338084 347342570 /nfs/dbraw/zinc/34/25/70/347342570.db2.gz KLJUQMXIRNWSOS-MRVPVSSYSA-N -1 3 279.325 2.145 20 5 CEBDHM C[C@@H](SCCc1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000603338084 347342572 /nfs/dbraw/zinc/34/25/72/347342572.db2.gz KLJUQMXIRNWSOS-MRVPVSSYSA-N -1 3 279.325 2.145 20 5 CEBDHM C[C@H](SCCc1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000603337899 347342744 /nfs/dbraw/zinc/34/27/44/347342744.db2.gz FOXJHRHNMZOGOT-QMMMGPOBSA-N -1 3 279.325 2.145 20 5 CEBDHM C[C@H](SCCc1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000603337899 347342746 /nfs/dbraw/zinc/34/27/46/347342746.db2.gz FOXJHRHNMZOGOT-QMMMGPOBSA-N -1 3 279.325 2.145 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CC=CC2)c1[N+](=O)[O-] ZINC000616424309 348499467 /nfs/dbraw/zinc/49/94/67/348499467.db2.gz LTODQBMZTMNGPI-UHFFFAOYSA-N -1 3 296.348 2.209 20 5 CEBDHM O=C([N-]OC1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000135129915 366399374 /nfs/dbraw/zinc/39/93/74/366399374.db2.gz CKZBOAGNYVURHM-UHFFFAOYSA-N -1 3 256.283 2.260 20 5 CEBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1ncccc1[O-])CC2 ZINC000577900920 366415344 /nfs/dbraw/zinc/41/53/44/366415344.db2.gz UUWUSOJHYQHRHU-UHFFFAOYSA-N -1 3 285.303 2.254 20 5 CEBDHM C[C@@]1(O)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339140385 366673628 /nfs/dbraw/zinc/67/36/28/366673628.db2.gz DGIDUEDFWWXKSB-CQSZACIVSA-N -1 3 280.324 2.037 20 5 CEBDHM CCC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000177536871 189055623 /nfs/dbraw/zinc/05/56/23/189055623.db2.gz JYYCKMSVKQJWOX-UHFFFAOYSA-N -1 3 284.337 2.206 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCCC[C@H]1CCO ZINC000339166168 366685083 /nfs/dbraw/zinc/68/50/83/366685083.db2.gz CVELXQVGPQKIJA-ZDUSSCGKSA-N -1 3 294.351 2.427 20 5 CEBDHM CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N(CC)CC ZINC000340543326 366930407 /nfs/dbraw/zinc/93/04/07/366930407.db2.gz AISHOESTFABKMZ-LBPRGKRZSA-N -1 3 295.339 2.359 20 5 CEBDHM CO[C@@H]1[C@H](C)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000345706170 368381191 /nfs/dbraw/zinc/38/11/91/368381191.db2.gz LLAXXYOHMLGODO-BIGNPOOSSA-N -1 3 294.351 2.450 20 5 CEBDHM COCc1nc(Sc2ccc(F)cc2[N+](=O)[O-])n[n-]1 ZINC000354425927 370358086 /nfs/dbraw/zinc/35/80/86/370358086.db2.gz SHGLHKOMZYSWFH-UHFFFAOYSA-N -1 3 284.272 2.150 20 5 CEBDHM CCCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OCC ZINC000262363754 371855611 /nfs/dbraw/zinc/85/56/11/371855611.db2.gz JQLNPOSNJYEDIR-UHFFFAOYSA-N -1 3 296.323 2.290 20 5 CEBDHM COc1cc(CN[C@H]2CSC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000282587980 375525153 /nfs/dbraw/zinc/52/51/53/375525153.db2.gz BYQJCRYOMJWCNV-LBPRGKRZSA-N -1 3 298.364 2.293 20 5 CEBDHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000286832063 376079572 /nfs/dbraw/zinc/07/95/72/376079572.db2.gz WBBXPIQDJRVMOO-NSHDSACASA-N -1 3 284.337 2.062 20 5 CEBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]OCC1CC1 ZINC000293753493 377740487 /nfs/dbraw/zinc/74/04/87/377740487.db2.gz KPHZPMYSRXHAQI-UHFFFAOYSA-N -1 3 289.291 2.076 20 5 CEBDHM Cc1[nH]nc(C(=O)[N-]c2ncc(C(C)C)s2)c1[N+](=O)[O-] ZINC000266177073 190237618 /nfs/dbraw/zinc/23/76/18/190237618.db2.gz RQAJZLGAJKMGCO-UHFFFAOYSA-N -1 3 295.324 2.459 20 5 CEBDHM Cc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)no1 ZINC000550100014 380616381 /nfs/dbraw/zinc/61/63/81/380616381.db2.gz WMBNKCOYCQQIGU-UHFFFAOYSA-N -1 3 265.200 2.283 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C2CC2)cc1C ZINC000048840422 394532893 /nfs/dbraw/zinc/53/28/93/394532893.db2.gz KKVFAAPNBKTPMF-JTQLQIEISA-N -1 3 298.364 2.288 20 5 CEBDHM N[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000423747579 394974989 /nfs/dbraw/zinc/97/49/89/394974989.db2.gz SPSXYWQHIAOFJU-JTQLQIEISA-N -1 3 299.714 2.020 20 5 CEBDHM CO[C@@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339091991 285632812 /nfs/dbraw/zinc/63/28/12/285632812.db2.gz RAVVFUNZUGHZPD-GXTWGEPZSA-N -1 3 280.324 2.348 20 5 CEBDHM CO[C@@H]1[C@@H](C)[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000345706172 285874219 /nfs/dbraw/zinc/87/42/19/285874219.db2.gz LLAXXYOHMLGODO-CUOATXAZSA-N -1 3 294.351 2.450 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC000368244195 156308115 /nfs/dbraw/zinc/30/81/15/156308115.db2.gz MZDUMSHDRSHYOB-UHFFFAOYSA-N -1 3 296.348 2.206 20 5 CEBDHM CCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000176795836 165172468 /nfs/dbraw/zinc/17/24/68/165172468.db2.gz KJJMGQHJKQTCFJ-UHFFFAOYSA-N -1 3 298.364 2.453 20 5 CEBDHM CCOc1cc(CN(CC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000566567726 299004229 /nfs/dbraw/zinc/00/42/29/299004229.db2.gz VMJRICIVHVONAC-UHFFFAOYSA-N -1 3 296.323 2.289 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1C(=O)N=c1cc2ccccn2[n-]1 ZINC000561153646 327370026 /nfs/dbraw/zinc/37/00/26/327370026.db2.gz KRHHBYSBVDSFDQ-UHFFFAOYSA-N -1 3 296.286 2.225 20 5 CEBDHM CC1(C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736210727 574778404 /nfs/dbraw/zinc/77/84/04/574778404.db2.gz HFFPWYSTOVFTHN-QMMMGPOBSA-N -1 3 288.311 2.233 20 5 CEBDHM CC1(C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736210727 574778405 /nfs/dbraw/zinc/77/84/05/574778405.db2.gz HFFPWYSTOVFTHN-QMMMGPOBSA-N -1 3 288.311 2.233 20 5 CEBDHM O=[N+]([O-])c1ccc(N[C@H]2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC000738370922 574859586 /nfs/dbraw/zinc/85/95/86/574859586.db2.gz SNROWECOEZJVQG-VIFPVBQESA-N -1 3 286.295 2.296 20 5 CEBDHM O=[N+]([O-])c1ccc(N[C@H]2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC000738370922 574859589 /nfs/dbraw/zinc/85/95/89/574859589.db2.gz SNROWECOEZJVQG-VIFPVBQESA-N -1 3 286.295 2.296 20 5 CEBDHM CC(C)c1ccc(CNCCN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000738878343 574883113 /nfs/dbraw/zinc/88/31/13/574883113.db2.gz ZFAFGIJMZCCJNC-UHFFFAOYSA-N -1 3 295.339 2.418 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739060780 574891909 /nfs/dbraw/zinc/89/19/09/574891909.db2.gz VRNCCFSVYLDPCK-MNOVXSKESA-N -1 3 293.323 2.245 20 5 CEBDHM O=[N+]([O-])c1cc(NC2CCCC2)ccc1-c1nnn[n-]1 ZINC000823634749 606644477 /nfs/dbraw/zinc/64/44/77/606644477.db2.gz LIWZMCKDBOPYPF-UHFFFAOYSA-N -1 3 274.284 2.129 20 5 CEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824655166 608016813 /nfs/dbraw/zinc/01/68/13/608016813.db2.gz BQTHRWPKBNLKCY-QMMMGPOBSA-N -1 3 299.294 2.276 20 5 CEBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824655166 608016814 /nfs/dbraw/zinc/01/68/14/608016814.db2.gz BQTHRWPKBNLKCY-QMMMGPOBSA-N -1 3 299.294 2.276 20 5 CEBDHM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000820709817 634510449 /nfs/dbraw/zinc/51/04/49/634510449.db2.gz MFRHXIDLQZUNLU-SECBINFHSA-N -1 3 288.311 2.011 20 5 CEBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCO1 ZINC000896179876 630492271 /nfs/dbraw/zinc/49/22/71/630492271.db2.gz ADHVPQUBZSCHJK-GFCCVEGCSA-N -1 3 267.285 2.067 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627104 635189299 /nfs/dbraw/zinc/18/92/99/635189299.db2.gz DJTPNKBDGZPWCL-WTDIUWLJSA-N -1 3 290.319 2.308 20 5 CEBDHM CCCO[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000844090421 640604144 /nfs/dbraw/zinc/60/41/44/640604144.db2.gz QNJKISYUHLEXQV-UHFFFAOYSA-N -1 3 280.280 2.016 20 5 CEBDHM C/C(=C/CN(C)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000851707616 643118234 /nfs/dbraw/zinc/11/82/34/643118234.db2.gz HEDBGZVHGARALC-XFFZJAGNSA-N -1 3 278.308 2.100 20 5 CEBDHM O=[N+]([O-])c1ccsc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000775542251 646964075 /nfs/dbraw/zinc/96/40/75/646964075.db2.gz LXRNFDAQAOFJDN-UHFFFAOYSA-N -1 3 293.230 2.405 20 5 CEBDHM CC(C)OC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000872706825 649463256 /nfs/dbraw/zinc/46/32/56/649463256.db2.gz JWUIFQRKGDNTJM-UHFFFAOYSA-N -1 3 281.312 2.455 20 5 CEBDHM Cc1ccnc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)n1 ZINC000800150573 652664492 /nfs/dbraw/zinc/66/44/92/652664492.db2.gz UTZPTHAUXCMWPY-UHFFFAOYSA-N -1 3 290.254 2.393 20 5 CEBDHM CS[C@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000695457502 803686882 /nfs/dbraw/zinc/68/68/82/803686882.db2.gz GEVPKMSBFKJQSH-SFYZADRCSA-N -1 3 269.326 2.391 20 5 CEBDHM Cc1ncc(Nc2cc([N+](=O)[O-])ccc2F)c(=O)[n-]1 ZINC001175734723 816271723 /nfs/dbraw/zinc/27/17/23/816271723.db2.gz AXOPNWMZFVNYAI-UHFFFAOYSA-N -1 3 264.216 2.282 20 5 CEBDHM NC(=O)c1ccc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)cc1[O-] ZINC001175905392 816304010 /nfs/dbraw/zinc/30/40/10/816304010.db2.gz NKFWJHUAGQXVHI-BQYQJAHWSA-N -1 3 299.286 2.482 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC12CC2 ZINC000601481487 346842001 /nfs/dbraw/zinc/84/20/01/346842001.db2.gz WNRPKJNGQQKCRK-GFCCVEGCSA-N -1 3 296.348 2.206 20 5 CEBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000492943500 290684159 /nfs/dbraw/zinc/68/41/59/290684159.db2.gz XFMYQNURFQIOKD-XQRVVYSFSA-N -1 3 280.255 2.205 20 5 CEBDHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057102538 362571585 /nfs/dbraw/zinc/57/15/85/362571585.db2.gz XQVLCOBYBPVZFE-ZJUUUORDSA-N -1 3 286.353 2.308 20 5 CEBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000594857612 345691827 /nfs/dbraw/zinc/69/18/27/345691827.db2.gz KDKHOMLDVDCTBU-LLVKDONJSA-N -1 3 298.364 2.370 20 5 CEBDHM CCCC(O)(CCC)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596134687 345947480 /nfs/dbraw/zinc/94/74/80/345947480.db2.gz OJKLQPUTVMCCPA-UHFFFAOYSA-N -1 3 283.328 2.439 20 5 CEBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000596149583 345952673 /nfs/dbraw/zinc/95/26/73/345952673.db2.gz NYVPUUYUVQLRRO-GWCFXTLKSA-N -1 3 281.312 2.049 20 5 CEBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596210800 345970449 /nfs/dbraw/zinc/97/04/49/345970449.db2.gz QGTWIESSGNBEAL-QMMMGPOBSA-N -1 3 269.326 2.027 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000596223584 345974207 /nfs/dbraw/zinc/97/42/07/345974207.db2.gz RXCLMTSFKREDNR-INEUFUBQSA-N -1 3 263.175 2.058 20 5 CEBDHM Cc1cccc(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596232419 345975704 /nfs/dbraw/zinc/97/57/04/345975704.db2.gz DFTLSKPCSPNMBG-UHFFFAOYSA-N -1 3 288.307 2.444 20 5 CEBDHM CCOC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596244276 345978874 /nfs/dbraw/zinc/97/88/74/345978874.db2.gz PDNGTSSVMPWVJY-UHFFFAOYSA-N -1 3 281.312 2.457 20 5 CEBDHM CO[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(C)C ZINC000596271431 345986812 /nfs/dbraw/zinc/98/68/12/345986812.db2.gz BFHLRUZVMTWADR-SECBINFHSA-N -1 3 269.301 2.168 20 5 CEBDHM CO[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000596271674 345987557 /nfs/dbraw/zinc/98/75/57/345987557.db2.gz SDWUCWNZIUHCKE-ZJUUUORDSA-N -1 3 279.296 2.065 20 5 CEBDHM CC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596276919 345989529 /nfs/dbraw/zinc/98/95/29/345989529.db2.gz GZCULJRDKUXDMW-BDAKNGLRSA-N -1 3 267.285 2.065 20 5 CEBDHM C[C@@H]1CC2(CN1c1cc[n-]c(=O)c1[N+](=O)[O-])CCOCC2 ZINC000596293738 345992739 /nfs/dbraw/zinc/99/27/39/345992739.db2.gz WTGZPFIWMLSSCH-SNVBAGLBSA-N -1 3 293.323 2.091 20 5 CEBDHM O=c1[n-]ccc(N2CCCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000599135504 346465049 /nfs/dbraw/zinc/46/50/49/346465049.db2.gz NCWQGVNTKAWDEO-UHFFFAOYSA-N -1 3 273.239 2.321 20 5 CEBDHM O=c1[n-]ccc(N2CC(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000599196344 346478161 /nfs/dbraw/zinc/47/81/61/346478161.db2.gz MOIGAOVNFVJOMU-UHFFFAOYSA-N -1 3 291.332 2.436 20 5 CEBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C12CC(C1)C2 ZINC000600817713 346695645 /nfs/dbraw/zinc/69/56/45/346695645.db2.gz UBYMIUWTSATZRK-UHFFFAOYSA-N -1 3 298.302 2.145 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000292385075 198267962 /nfs/dbraw/zinc/26/79/62/198267962.db2.gz ZKVZGJQUTLWXQK-SSDOTTSWSA-N -1 3 258.299 2.364 20 5 CEBDHM CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000074078541 363291189 /nfs/dbraw/zinc/29/11/89/363291189.db2.gz OICVKHMGHAYIBE-UHFFFAOYSA-N -1 3 297.274 2.143 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000570094054 299237559 /nfs/dbraw/zinc/23/75/59/299237559.db2.gz YTVSUZMYDIAAPY-QMTHXVAHSA-N -1 3 292.335 2.446 20 5 CEBDHM C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000570514526 299261401 /nfs/dbraw/zinc/26/14/01/299261401.db2.gz OZSYFKOPEYKYCG-CMPLNLGQSA-N -1 3 278.308 2.137 20 5 CEBDHM Cc1cc(NC([O-])=NOC(C)C)ccc1[N+](=O)[O-] ZINC000296927406 200037294 /nfs/dbraw/zinc/03/72/94/200037294.db2.gz UMVUZYTWOLCBRY-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM Cc1cc(NC(=O)[N-]OC(C)C)ccc1[N+](=O)[O-] ZINC000296927406 200037296 /nfs/dbraw/zinc/03/72/96/200037296.db2.gz UMVUZYTWOLCBRY-UHFFFAOYSA-N -1 3 253.258 2.365 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cncs1 ZINC000341848204 216125746 /nfs/dbraw/zinc/12/57/46/216125746.db2.gz OEAMIBVWLRSWLD-UHFFFAOYSA-N -1 3 279.277 2.312 20 5 CEBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc([O-])c1 ZINC000182242600 368540799 /nfs/dbraw/zinc/54/07/99/368540799.db2.gz OUGGSADVCPPZGC-UHFFFAOYSA-N -1 3 272.260 2.230 20 5 CEBDHM CCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)co1 ZINC000346537400 368708889 /nfs/dbraw/zinc/70/88/89/368708889.db2.gz UBDJJOLGSXXCOA-UHFFFAOYSA-N -1 3 291.263 2.406 20 5 CEBDHM Cc1ccc(F)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186854663 369058072 /nfs/dbraw/zinc/05/80/72/369058072.db2.gz UFRVTWKKWYJYGU-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM O=[N+]([O-])c1cc(F)c([N-]OC[C@H]2CCOC2)c(F)c1 ZINC000276190139 193237109 /nfs/dbraw/zinc/23/71/09/193237109.db2.gz GYMYJEYSEJOVCN-ZETCQYMHSA-N -1 3 274.223 2.253 20 5 CEBDHM C[C@H](O)C[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330458861 377144141 /nfs/dbraw/zinc/14/41/41/377144141.db2.gz PPONLJADWWJCJV-AAEUAGOBSA-N -1 3 294.351 2.426 20 5 CEBDHM CCN1C[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331352763 377396090 /nfs/dbraw/zinc/39/60/90/377396090.db2.gz ORYVHICERDYVPO-TXEJJXNPSA-N -1 3 293.367 2.215 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC2CC2)c1 ZINC000293739148 377732127 /nfs/dbraw/zinc/73/21/27/377732127.db2.gz IQOIFXLLWXZAMY-UHFFFAOYSA-N -1 3 280.280 2.065 20 5 CEBDHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000295389824 378134919 /nfs/dbraw/zinc/13/49/19/378134919.db2.gz QIPKRHREMMNGRP-ZETCQYMHSA-N -1 3 258.224 2.427 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)C)cc1C ZINC000048840250 394533020 /nfs/dbraw/zinc/53/30/20/394533020.db2.gz XEJVSUWUPOYQTF-UHFFFAOYSA-N -1 3 286.353 2.288 20 5 CEBDHM O=C(/C=C/c1cncc([O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000181772273 395223760 /nfs/dbraw/zinc/22/37/60/395223760.db2.gz IYIZJANZYUOSJE-SNAWJCMRSA-N -1 3 285.259 2.347 20 5 CEBDHM Cc1cc([N-]C(=O)COc2cc([N+](=O)[O-])ccc2C)on1 ZINC000194601825 395443396 /nfs/dbraw/zinc/44/33/96/395443396.db2.gz BKBNJLMTHJSJRC-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM Cc1cc([N-]C(=O)COc2cccc(C)c2[N+](=O)[O-])on1 ZINC000194613145 395443405 /nfs/dbraw/zinc/44/34/05/395443405.db2.gz GHHZYYBDMITKJI-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM Cc1noc([N-]C(=O)COc2ccc([N+](=O)[O-])cc2)c1C ZINC000359726518 155121957 /nfs/dbraw/zinc/12/19/57/155121957.db2.gz OEOXYUNJOSOBPB-UHFFFAOYSA-N -1 3 291.263 2.217 20 5 CEBDHM CCCSC[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000426768479 260244293 /nfs/dbraw/zinc/24/42/93/260244293.db2.gz ZIZJZBTXFQHQHZ-LBPRGKRZSA-N -1 3 298.364 2.281 20 5 CEBDHM COc1ccc([N-]C(=O)c2snnc2C)c([N+](=O)[O-])c1 ZINC000194741851 270303445 /nfs/dbraw/zinc/30/34/45/270303445.db2.gz OEZLCLSNQFEAFZ-UHFFFAOYSA-N -1 3 294.292 2.016 20 5 CEBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc[nH]n1 ZINC000135558936 280049371 /nfs/dbraw/zinc/04/93/71/280049371.db2.gz UXOMHTMORULOES-UHFFFAOYSA-N -1 3 293.308 2.077 20 5 CEBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCOCC1 ZINC000339070132 289981032 /nfs/dbraw/zinc/98/10/32/289981032.db2.gz HSTIGGOPGKLTNI-JTQLQIEISA-N -1 3 280.324 2.205 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCCC1 ZINC000048664380 302047379 /nfs/dbraw/zinc/04/73/79/302047379.db2.gz DJDBAYCENANABY-UHFFFAOYSA-N -1 3 284.337 2.124 20 5 CEBDHM CN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000577184243 314350046 /nfs/dbraw/zinc/35/00/46/314350046.db2.gz MMJRUKDWZUVDEO-UHFFFAOYSA-N -1 3 292.213 2.130 20 5 CEBDHM O=C([N-]c1nc(C2CCC2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000577299969 314362866 /nfs/dbraw/zinc/36/28/66/314362866.db2.gz CFVKXEQZRLLJFI-UHFFFAOYSA-N -1 3 293.308 2.294 20 5 CEBDHM O=C([N-]C1=NCCS1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000731955611 574607926 /nfs/dbraw/zinc/60/79/26/574607926.db2.gz PHNZEQFCNIDKDC-UHFFFAOYSA-N -1 3 285.712 2.081 20 5 CEBDHM C[C@@H]1C[C@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736225377 574778742 /nfs/dbraw/zinc/77/87/42/574778742.db2.gz CCTYUHKTQHZGJJ-DTWKUNHWSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1C[C@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736225377 574778743 /nfs/dbraw/zinc/77/87/43/574778743.db2.gz CCTYUHKTQHZGJJ-DTWKUNHWSA-N -1 3 288.311 2.010 20 5 CEBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)C(=O)[O-] ZINC000736493893 574790264 /nfs/dbraw/zinc/79/02/64/574790264.db2.gz GGCGCBQDHZVIPV-UHFFFAOYSA-N -1 3 296.323 2.335 20 5 CEBDHM CN(CCC1CC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825918242 607562792 /nfs/dbraw/zinc/56/27/92/607562792.db2.gz BWTFBEXAPVPOLA-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM CN(CCC1CC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825918242 607562793 /nfs/dbraw/zinc/56/27/93/607562793.db2.gz BWTFBEXAPVPOLA-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM C[C@H](NCCN(C(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000825495998 603622420 /nfs/dbraw/zinc/62/24/20/603622420.db2.gz LRFSFWYPKKKENF-JTQLQIEISA-N -1 3 293.323 2.388 20 5 CEBDHM C[C@H]1CC[C@H](C)N1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820685343 606879081 /nfs/dbraw/zinc/87/90/81/606879081.db2.gz UCNFDGBEZYSSLY-IUCAKERBSA-N -1 3 288.311 2.152 20 5 CEBDHM C[C@H]1CC[C@H](C)N1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820685343 606879082 /nfs/dbraw/zinc/87/90/82/606879082.db2.gz UCNFDGBEZYSSLY-IUCAKERBSA-N -1 3 288.311 2.152 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000794864062 629341138 /nfs/dbraw/zinc/34/11/38/629341138.db2.gz KDLUKSFAEXDURX-SNVBAGLBSA-N -1 3 296.323 2.240 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnsn1 ZINC000798542574 630888429 /nfs/dbraw/zinc/88/84/29/630888429.db2.gz ZGMRKIBQGCODJD-UHFFFAOYSA-N -1 3 294.292 2.097 20 5 CEBDHM CC(C)n1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1 ZINC000839226063 644188598 /nfs/dbraw/zinc/18/85/98/644188598.db2.gz VALYSGIFLHYPLD-UHFFFAOYSA-N -1 3 293.258 2.159 20 5 CEBDHM Cc1nonc1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119752729 646858585 /nfs/dbraw/zinc/85/85/85/646858585.db2.gz QNGXDXRIXPFTKG-UHFFFAOYSA-N -1 3 282.643 2.192 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)c1[N+](=O)[O-] ZINC000872695645 649458182 /nfs/dbraw/zinc/45/81/82/649458182.db2.gz ILRQAMGTBQKVTA-WCABBAIRSA-N -1 3 279.296 2.065 20 5 CEBDHM O=c1[n-]ccc(N2CC[C@H](c3nccs3)C2)c1[N+](=O)[O-] ZINC000882855480 652236578 /nfs/dbraw/zinc/23/65/78/652236578.db2.gz LLPHLHZUDMLWJN-QMMMGPOBSA-N -1 3 292.320 2.146 20 5 CEBDHM CCC[C@H](Oc1c([O-])cccc1[N+](=O)[O-])C(=O)OCC ZINC001226332790 805581210 /nfs/dbraw/zinc/58/12/10/805581210.db2.gz FCFZFQAIXLQLJG-NSHDSACASA-N -1 3 283.280 2.411 20 5 CEBDHM Cc1ccc(CN2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000714012344 814882299 /nfs/dbraw/zinc/88/22/99/814882299.db2.gz CZHZSXAPJYBSQG-GFCCVEGCSA-N -1 3 278.308 2.200 20 5 CEBDHM CC/C=C/C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601427638 346836596 /nfs/dbraw/zinc/83/65/96/346836596.db2.gz FGMQEVYPTGBQGB-SNAWJCMRSA-N -1 3 290.366 2.209 20 5 CEBDHM CC/C=C\CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000449452700 282243664 /nfs/dbraw/zinc/24/36/64/282243664.db2.gz GPDXTMXUNFLDIE-PLNGDYQASA-N -1 3 266.297 2.365 20 5 CEBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(C)cs2)c1[N+](=O)[O-] ZINC000069222285 343783146 /nfs/dbraw/zinc/78/31/46/343783146.db2.gz KDFNWDLPWWUAIX-UHFFFAOYSA-N -1 3 295.324 2.288 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]C2(C)CCC2)c([N+](=O)[O-])c1 ZINC000167428796 344478682 /nfs/dbraw/zinc/47/86/82/344478682.db2.gz KNZGVUZLORBIQV-UHFFFAOYSA-N -1 3 284.337 2.124 20 5 CEBDHM C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000229297863 344565124 /nfs/dbraw/zinc/56/51/24/344565124.db2.gz XNJQXCUMLTZCNA-GXFFZTMASA-N -1 3 278.308 2.280 20 5 CEBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593291073 345463215 /nfs/dbraw/zinc/46/32/15/345463215.db2.gz XLSOWSQRPKQWTJ-PRHODGIISA-N -1 3 282.271 2.171 20 5 CEBDHM O=C([O-])[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593756249 345533077 /nfs/dbraw/zinc/53/30/77/345533077.db2.gz NRQWOFUFEKUFLF-WDEREUQCSA-N -1 3 296.348 2.199 20 5 CEBDHM O=c1[n-]ccc(NCCC[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000596167516 345958320 /nfs/dbraw/zinc/95/83/20/345958320.db2.gz IQOQVVBTCJAZNO-ZYHUDNBSSA-N -1 3 295.339 2.439 20 5 CEBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H]1C ZINC000596177654 345960503 /nfs/dbraw/zinc/96/05/03/345960503.db2.gz NQPVNBMCVQCGFW-IUCAKERBSA-N -1 3 251.286 2.178 20 5 CEBDHM CC(C)[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596185411 345963335 /nfs/dbraw/zinc/96/33/35/345963335.db2.gz RITGBYZBCCYTNL-GXSJLCMTSA-N -1 3 281.312 2.311 20 5 CEBDHM CCc1nc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC000596105813 345940577 /nfs/dbraw/zinc/94/05/77/345940577.db2.gz ZAEQEZYVELGREH-UHFFFAOYSA-N -1 3 294.336 2.369 20 5 CEBDHM CCc1cnc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596138899 345949438 /nfs/dbraw/zinc/94/94/38/345949438.db2.gz GUTDWWUENNRZTB-UHFFFAOYSA-N -1 3 294.336 2.369 20 5 CEBDHM CCc1cnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596140958 345949909 /nfs/dbraw/zinc/94/99/09/345949909.db2.gz VDSBRDCDRGDXHL-UHFFFAOYSA-N -1 3 280.309 2.326 20 5 CEBDHM CCC(CC)(CCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596146331 345951664 /nfs/dbraw/zinc/95/16/64/345951664.db2.gz YVCTVEAZNZRALH-UHFFFAOYSA-N -1 3 283.328 2.296 20 5 CEBDHM CC1(C)CCC[C@](O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596203135 345968118 /nfs/dbraw/zinc/96/81/18/345968118.db2.gz MJHADIURYUQWOG-CQSZACIVSA-N -1 3 295.339 2.439 20 5 CEBDHM CO[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC000596204643 345968774 /nfs/dbraw/zinc/96/87/74/345968774.db2.gz BXNZOVMDJWZQGX-ZETCQYMHSA-N -1 3 295.217 2.075 20 5 CEBDHM CC(C)[C@@H]1C[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596256441 345982434 /nfs/dbraw/zinc/98/24/34/345982434.db2.gz AQZUVBCTAONWAY-IUCAKERBSA-N -1 3 251.286 2.399 20 5 CEBDHM C[C@@H]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596478195 346033661 /nfs/dbraw/zinc/03/36/61/346033661.db2.gz PSMTWCZIGWCZFZ-RKDXNWHRSA-N -1 3 267.285 2.065 20 5 CEBDHM CC(C)CON=C([O-])Nc1ccc([N+](=O)[O-])cc1F ZINC000273451202 192155898 /nfs/dbraw/zinc/15/58/98/192155898.db2.gz LHVIBSPFQHHUAO-UHFFFAOYSA-N -1 3 271.248 2.443 20 5 CEBDHM CC(C)CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273451202 192155900 /nfs/dbraw/zinc/15/59/00/192155900.db2.gz LHVIBSPFQHHUAO-UHFFFAOYSA-N -1 3 271.248 2.443 20 5 CEBDHM CCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000070237846 363058904 /nfs/dbraw/zinc/05/89/04/363058904.db2.gz XUEMROIBHZSDAV-UHFFFAOYSA-N -1 3 258.299 2.055 20 5 CEBDHM CCc1nc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000123164923 187074824 /nfs/dbraw/zinc/07/48/24/187074824.db2.gz DONVZOMCIKMMQZ-UHFFFAOYSA-N -1 3 295.686 2.181 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(CC(F)F)c1 ZINC000301309066 200972228 /nfs/dbraw/zinc/97/22/28/200972228.db2.gz DMNKPSFIECICRP-UHFFFAOYSA-N -1 3 269.211 2.195 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC2CC2)c([N+](=O)[O-])c1 ZINC000112708091 364833370 /nfs/dbraw/zinc/83/33/70/364833370.db2.gz RVGIHPIHQUAMHH-SNVBAGLBSA-N -1 3 298.364 2.370 20 5 CEBDHM Cc1ccc([O-])c(CNCc2ccccc2[N+](=O)[O-])n1 ZINC000112716663 364834879 /nfs/dbraw/zinc/83/48/79/364834879.db2.gz OMUUMVRASBEZCP-UHFFFAOYSA-N -1 3 273.292 2.294 20 5 CEBDHM Cc1ncc(CNc2ccc(F)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000343609335 216844691 /nfs/dbraw/zinc/84/46/91/216844691.db2.gz RTXGKMMXKKYLQC-UHFFFAOYSA-N -1 3 278.243 2.150 20 5 CEBDHM CCn1nc(C)c([N+](=O)[O-])c1[N-]c1cc2n(n1)CCCC2 ZINC000286393072 375939167 /nfs/dbraw/zinc/93/91/67/375939167.db2.gz MRPGROBNNHMDLU-UHFFFAOYSA-N -1 3 290.327 2.396 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC2)c1C ZINC000416507894 376080374 /nfs/dbraw/zinc/08/03/74/376080374.db2.gz PJFQSHDSNWLOST-UHFFFAOYSA-N -1 3 284.337 2.042 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC2)cc1C ZINC000416506792 376080567 /nfs/dbraw/zinc/08/05/67/376080567.db2.gz KIMMPGPQCKADMB-UHFFFAOYSA-N -1 3 284.337 2.042 20 5 CEBDHM C[C@@H](O)C[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330458864 377143390 /nfs/dbraw/zinc/14/33/90/377143390.db2.gz PPONLJADWWJCJV-YPMHNXCESA-N -1 3 294.351 2.426 20 5 CEBDHM CC[C@@H](C)CO[N-]C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000292224958 377232876 /nfs/dbraw/zinc/23/28/76/377232876.db2.gz ZRXGSWUAARIPMG-MRVPVSSYSA-N -1 3 270.260 2.441 20 5 CEBDHM Cc1[nH]nc(C(=O)[N-]c2nc(C3CC3)cs2)c1[N+](=O)[O-] ZINC000299429354 378995148 /nfs/dbraw/zinc/99/51/48/378995148.db2.gz BTQIGQUJNCNUCJ-UHFFFAOYSA-N -1 3 293.308 2.213 20 5 CEBDHM O=C(Nc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186816685 183646761 /nfs/dbraw/zinc/64/67/61/183646761.db2.gz DWJQOFXPVGCONY-UHFFFAOYSA-N -1 3 277.211 2.087 20 5 CEBDHM CC(C)C[C@@H](C(=O)[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000520823556 379506664 /nfs/dbraw/zinc/50/66/64/379506664.db2.gz IXIUGUUMPOOYPE-AWEZNQCLSA-N -1 3 292.335 2.452 20 5 CEBDHM Cc1c(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000521042801 379513161 /nfs/dbraw/zinc/51/31/61/379513161.db2.gz QYPRWNIVMJPETF-ZWNOBZJWSA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1cccc(C(=O)[N-]c2nncs2)c1[N+](=O)[O-] ZINC000021212942 394473653 /nfs/dbraw/zinc/47/36/53/394473653.db2.gz LOJUQMQOTXSTRV-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c([O-])c1 ZINC000040413277 394499396 /nfs/dbraw/zinc/49/93/96/394499396.db2.gz JDQBFHIEBVCMLY-UHFFFAOYSA-N -1 3 262.221 2.454 20 5 CEBDHM CC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC000131231213 394906038 /nfs/dbraw/zinc/90/60/38/394906038.db2.gz LKZDAPWTXSXLGX-UHFFFAOYSA-N -1 3 275.220 2.038 20 5 CEBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000360351790 155277899 /nfs/dbraw/zinc/27/78/99/155277899.db2.gz JKIXCGQQGYMSCU-GHMZBOCLSA-N -1 3 298.364 2.309 20 5 CEBDHM CCCSC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000426768478 260244717 /nfs/dbraw/zinc/24/47/17/260244717.db2.gz ZIZJZBTXFQHQHZ-GFCCVEGCSA-N -1 3 298.364 2.281 20 5 CEBDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000162702980 281135708 /nfs/dbraw/zinc/13/57/08/281135708.db2.gz ZBIWUNUJXZHOOD-JTQLQIEISA-N -1 3 298.364 2.452 20 5 CEBDHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000471792769 290283165 /nfs/dbraw/zinc/28/31/65/290283165.db2.gz ZEWKIZGVJZRVAZ-ZETCQYMHSA-N -1 3 293.304 2.248 20 5 CEBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000522252555 297657537 /nfs/dbraw/zinc/65/75/37/297657537.db2.gz QKHSOEQNMKAYBX-SECBINFHSA-N -1 3 296.714 2.172 20 5 CEBDHM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000054522247 526312720 /nfs/dbraw/zinc/31/27/20/526312720.db2.gz PSUZZAHTFULYSK-LLVKDONJSA-N -1 3 284.699 2.201 20 5 CEBDHM CC[C@@](C)(NCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736862686 574798764 /nfs/dbraw/zinc/79/87/64/574798764.db2.gz DNIIUMNJFHDNHI-GFCCVEGCSA-N -1 3 270.260 2.077 20 5 CEBDHM Cc1ccc(CN2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000714013504 598119787 /nfs/dbraw/zinc/11/97/87/598119787.db2.gz NYMDYLZTVZKOBC-UHFFFAOYSA-N -1 3 278.308 2.200 20 5 CEBDHM Cc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1[N+](=O)[O-] ZINC000902554904 634721662 /nfs/dbraw/zinc/72/16/62/634721662.db2.gz WCLWHKAMXRWYIH-SCRDCRAPSA-N -1 3 290.319 2.056 20 5 CEBDHM CC(C)CO[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000827212385 636257323 /nfs/dbraw/zinc/25/73/23/636257323.db2.gz DCWTURWJUAUPEJ-UHFFFAOYSA-N -1 3 294.307 2.262 20 5 CEBDHM CC[C@H](C(=O)[O-])N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000044623466 639347529 /nfs/dbraw/zinc/34/75/29/639347529.db2.gz WMWTXASFPGEVCB-SNVBAGLBSA-N -1 3 270.260 2.029 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000877742028 650885461 /nfs/dbraw/zinc/88/54/61/650885461.db2.gz XGSAPHVHHLREIX-PWSUYJOCSA-N -1 3 294.376 2.485 20 5 CEBDHM COc1cc(C=Cc2nccc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000770572756 646408855 /nfs/dbraw/zinc/40/88/55/646408855.db2.gz RWGRCJPZSQFKPG-HYXAFXHYSA-N -1 3 273.248 2.269 20 5 CEBDHM O=C([O-])[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000874053972 649743786 /nfs/dbraw/zinc/74/37/86/649743786.db2.gz SKXGFYCBGVSABM-XWEPSHTISA-N -1 3 284.699 2.201 20 5 CEBDHM CC(=O)c1ccc([O-])c(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001225995273 805419794 /nfs/dbraw/zinc/41/97/94/805419794.db2.gz POIOVLHEFYXXIT-ZDUSSCGKSA-N -1 3 265.265 2.029 20 5 CEBDHM Cc1c(F)cnc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC001169732190 811651189 /nfs/dbraw/zinc/65/11/89/811651189.db2.gz KERJRRWBPHMYJA-UHFFFAOYSA-N -1 3 278.243 2.150 20 5 CEBDHM O=[N+]([O-])c1c(Cl)ccnc1NCc1ncccc1[O-] ZINC001158770569 812985293 /nfs/dbraw/zinc/98/52/93/812985293.db2.gz GTDFBNIVTDSKDC-UHFFFAOYSA-N -1 3 280.671 2.356 20 5 CEBDHM COc1ccc(Nc2ncccc2[O-])cc1[N+](=O)[O-] ZINC001176360587 816400876 /nfs/dbraw/zinc/40/08/76/816400876.db2.gz SIDIJNCRWZYWJG-UHFFFAOYSA-N -1 3 261.237 2.448 20 5 CEBDHM CC[C@H](C)N(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000037599283 361909927 /nfs/dbraw/zinc/90/99/27/361909927.db2.gz BMROCUXCRAGDGV-JTQLQIEISA-N -1 3 296.323 2.289 20 5 CEBDHM CCC[C@@H](C(=O)[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593736310 345529476 /nfs/dbraw/zinc/52/94/76/345529476.db2.gz BIMMDJIQPBBMSW-ZDUSSCGKSA-N -1 3 278.308 2.206 20 5 CEBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000593740975 345530800 /nfs/dbraw/zinc/53/08/00/345530800.db2.gz YEJKMDXKOAUIMV-UHFFFAOYSA-N -1 3 264.281 2.135 20 5 CEBDHM C[C@@H](CO)[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595674588 345845361 /nfs/dbraw/zinc/84/53/61/345845361.db2.gz LUKAVKWFWKPAAY-FZMZJTMJSA-N -1 3 294.351 2.283 20 5 CEBDHM O=c1[n-]ccc(N2CCC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000596061015 345930378 /nfs/dbraw/zinc/93/03/78/345930378.db2.gz MNFIRMOTTJTAHG-LLVKDONJSA-N -1 3 286.291 2.432 20 5 CEBDHM O=c1[n-]ccc(N2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000596067289 345931785 /nfs/dbraw/zinc/93/17/85/345931785.db2.gz WOVJYCXRUQKUMZ-UHFFFAOYSA-N -1 3 277.305 2.320 20 5 CEBDHM CC1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C(C)(C)O1 ZINC000596188597 345964626 /nfs/dbraw/zinc/96/46/26/345964626.db2.gz YSFPNTJILGOBAJ-VIFPVBQESA-N -1 3 281.312 2.453 20 5 CEBDHM CCC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC ZINC000596214521 345971312 /nfs/dbraw/zinc/97/13/12/345971312.db2.gz JBNCZRWIRMNNMJ-VIFPVBQESA-N -1 3 297.311 2.087 20 5 CEBDHM O=c1[n-]ccc(N[C@H](C2CC2)[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596291076 345992362 /nfs/dbraw/zinc/99/23/62/345992362.db2.gz FVAXQPDPGQNRFA-NWDGAFQWSA-N -1 3 293.323 2.455 20 5 CEBDHM O=c1[n-]ccc(N2CCC(CCF)CC2)c1[N+](=O)[O-] ZINC000601217511 346792487 /nfs/dbraw/zinc/79/24/87/346792487.db2.gz JEHQIXRNRDUSOK-UHFFFAOYSA-N -1 3 269.276 2.271 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn2c1CCCC2 ZINC000601232106 346797056 /nfs/dbraw/zinc/79/70/56/346797056.db2.gz NNNADIOPYVFBCO-UHFFFAOYSA-N -1 3 259.269 2.266 20 5 CEBDHM O=C([N-]c1cnoc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000604543019 347420840 /nfs/dbraw/zinc/42/08/40/347420840.db2.gz WAOLRATYFUZOKG-UHFFFAOYSA-N -1 3 299.246 2.021 20 5 CEBDHM CC1(C)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000610787941 347714864 /nfs/dbraw/zinc/71/48/64/347714864.db2.gz RJNRHXSITFIJCG-IACUBPJLSA-N -1 3 292.335 2.204 20 5 CEBDHM CC(C)OCCO[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493459454 290825133 /nfs/dbraw/zinc/82/51/33/290825133.db2.gz HHMVZCJBJPWRAG-YVMONPNESA-N -1 3 294.307 2.081 20 5 CEBDHM CCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122714828 187047341 /nfs/dbraw/zinc/04/73/41/187047341.db2.gz XTZZNXPCRQGYRS-UHFFFAOYSA-N -1 3 292.382 2.432 20 5 CEBDHM Cc1c(NC([O-])=NO[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000155533214 188212693 /nfs/dbraw/zinc/21/26/93/188212693.db2.gz BQDWOFUKTIPYFI-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1c(NC(=O)[N-]O[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000155533214 188212695 /nfs/dbraw/zinc/21/26/95/188212695.db2.gz BQDWOFUKTIPYFI-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM CC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000132481859 366147934 /nfs/dbraw/zinc/14/79/34/366147934.db2.gz XGLNBOANNMMTAI-ZETCQYMHSA-N -1 3 290.316 2.119 20 5 CEBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000339043437 366627404 /nfs/dbraw/zinc/62/74/04/366627404.db2.gz OBWBNXFAGOOXTE-UHFFFAOYSA-N -1 3 294.351 2.283 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCCC(=O)[O-] ZINC000083662513 363783125 /nfs/dbraw/zinc/78/31/25/363783125.db2.gz MQHCDTQTBGTUDG-SNVBAGLBSA-N -1 3 266.297 2.452 20 5 CEBDHM CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N(CC)CC ZINC000340543325 366930044 /nfs/dbraw/zinc/93/00/44/366930044.db2.gz AISHOESTFABKMZ-GFCCVEGCSA-N -1 3 295.339 2.359 20 5 CEBDHM COCc1nc(Sc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000340754139 367015177 /nfs/dbraw/zinc/01/51/77/367015177.db2.gz NXFDZFKLYZWDON-UHFFFAOYSA-N -1 3 266.282 2.011 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398613 370341291 /nfs/dbraw/zinc/34/12/91/370341291.db2.gz AMXAEIWHDQEUKW-WDEREUQCSA-N -1 3 278.308 2.452 20 5 CEBDHM C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000262038391 371809076 /nfs/dbraw/zinc/80/90/76/371809076.db2.gz YEANMAJHXUMARV-SECBINFHSA-N -1 3 264.281 2.032 20 5 CEBDHM Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1C1CC1 ZINC000284712035 196116719 /nfs/dbraw/zinc/11/67/19/196116719.db2.gz AGXYRGPLBHPOHZ-UHFFFAOYSA-N -1 3 293.308 2.143 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OCC(F)(F)F ZINC000135210610 280039427 /nfs/dbraw/zinc/03/94/27/280039427.db2.gz XWIZJMZCOALVBZ-AATRIKPKSA-N -1 3 290.197 2.218 20 5 CEBDHM COc1cc([N+](=O)[O-])ccc1CN(CC(=O)[O-])C1CCC1 ZINC000576123614 314245337 /nfs/dbraw/zinc/24/53/37/314245337.db2.gz SYNVXRNFQXBTRX-UHFFFAOYSA-N -1 3 294.307 2.043 20 5 CEBDHM CCO[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294363555 520239234 /nfs/dbraw/zinc/23/92/34/520239234.db2.gz IVIRCAWHBQEWCB-UHFFFAOYSA-N -1 3 278.186 2.295 20 5 CEBDHM Cc1c(CC(=O)Nc2ccncc2[O-])cccc1[N+](=O)[O-] ZINC000161504032 525695905 /nfs/dbraw/zinc/69/59/05/525695905.db2.gz QASDTMZJLGRCLJ-UHFFFAOYSA-N -1 3 287.275 2.185 20 5 CEBDHM C[C@@H]1C[C@H](C)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736227532 574778472 /nfs/dbraw/zinc/77/84/72/574778472.db2.gz LFRJDNBIYAGDLS-BDAKNGLRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736227532 574778473 /nfs/dbraw/zinc/77/84/73/574778473.db2.gz LFRJDNBIYAGDLS-BDAKNGLRSA-N -1 3 288.311 2.010 20 5 CEBDHM CC(C)(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000736339428 574783638 /nfs/dbraw/zinc/78/36/38/574783638.db2.gz JUQJFHFVISKTGL-UHFFFAOYSA-N -1 3 272.688 2.201 20 5 CEBDHM CC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736401665 574786381 /nfs/dbraw/zinc/78/63/81/574786381.db2.gz KQLFPPUDZZFAKD-SNVBAGLBSA-N -1 3 288.311 2.154 20 5 CEBDHM CC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736401665 574786382 /nfs/dbraw/zinc/78/63/82/574786382.db2.gz KQLFPPUDZZFAKD-SNVBAGLBSA-N -1 3 288.311 2.154 20 5 CEBDHM CC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736401661 574786443 /nfs/dbraw/zinc/78/64/43/574786443.db2.gz KQLFPPUDZZFAKD-JTQLQIEISA-N -1 3 288.311 2.154 20 5 CEBDHM CC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736401661 574786444 /nfs/dbraw/zinc/78/64/44/574786444.db2.gz KQLFPPUDZZFAKD-JTQLQIEISA-N -1 3 288.311 2.154 20 5 CEBDHM C[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633521 597470282 /nfs/dbraw/zinc/47/02/82/597470282.db2.gz QRXXPJPPABALIZ-ZETCQYMHSA-N -1 3 272.688 2.153 20 5 CEBDHM CC[C@H](NCCN(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000826619379 604954493 /nfs/dbraw/zinc/95/44/93/604954493.db2.gz JPYNRBDSTMRUOW-LBPRGKRZSA-N -1 3 281.312 2.245 20 5 CEBDHM C[C@@H]1[C@@H](C)CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820726951 606423375 /nfs/dbraw/zinc/42/33/75/606423375.db2.gz DORHUMZJCSEHME-DTWKUNHWSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1[C@@H](C)CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820726951 606423377 /nfs/dbraw/zinc/42/33/77/606423377.db2.gz DORHUMZJCSEHME-DTWKUNHWSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCC1 ZINC000824650644 607904477 /nfs/dbraw/zinc/90/44/77/607904477.db2.gz UFIVMVDPLDFQJK-QMMMGPOBSA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCC1 ZINC000824650644 607904478 /nfs/dbraw/zinc/90/44/78/607904478.db2.gz UFIVMVDPLDFQJK-QMMMGPOBSA-N -1 3 288.311 2.375 20 5 CEBDHM O=c1cc([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)[n-][nH]1 ZINC000894373691 629403884 /nfs/dbraw/zinc/40/38/84/629403884.db2.gz XGZZRGPYXVNILE-MRVPVSSYSA-N -1 3 292.270 2.157 20 5 CEBDHM O=c1cc([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894378431 629410067 /nfs/dbraw/zinc/41/00/67/629410067.db2.gz YLOIHYYNWWMQNH-MRVPVSSYSA-N -1 3 292.270 2.157 20 5 CEBDHM O=C([O-])[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000849231902 642291119 /nfs/dbraw/zinc/29/11/19/642291119.db2.gz KJIAOPSHHNCLLM-KYZUINATSA-N -1 3 284.699 2.201 20 5 CEBDHM O=[N+]([O-])c1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(F)c1 ZINC000775383880 646947867 /nfs/dbraw/zinc/94/78/67/646947867.db2.gz OOXRPVOBTLNOTL-LLVKDONJSA-N -1 3 299.258 2.314 20 5 CEBDHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc([N+](=O)[O-])cc1F ZINC000775383880 646947869 /nfs/dbraw/zinc/94/78/69/646947869.db2.gz OOXRPVOBTLNOTL-LLVKDONJSA-N -1 3 299.258 2.314 20 5 CEBDHM CCn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C ZINC000872777879 649485136 /nfs/dbraw/zinc/48/51/36/649485136.db2.gz SKXDQFXGVUIPBD-UHFFFAOYSA-N -1 3 253.287 2.320 20 5 CEBDHM O=[N+]([O-])c1ccc(Cl)c(CSCCc2nnn[n-]2)c1 ZINC000882188789 651994940 /nfs/dbraw/zinc/99/49/40/651994940.db2.gz TYZTUQQRRBIUJX-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM O=[N+]([O-])c1ccc(Cl)c(CSCCc2nn[n-]n2)c1 ZINC000882188789 651994943 /nfs/dbraw/zinc/99/49/43/651994943.db2.gz TYZTUQQRRBIUJX-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000707962762 809915910 /nfs/dbraw/zinc/91/59/10/809915910.db2.gz VJDLQWBVGVJHMX-QMMMGPOBSA-N -1 3 270.260 2.029 20 5 CEBDHM Cc1ccc([N-]S(=O)(=O)CCC2CC2)cc1[N+](=O)[O-] ZINC000092257259 344181879 /nfs/dbraw/zinc/18/18/79/344181879.db2.gz NKEAJPMHTFKTJX-UHFFFAOYSA-N -1 3 284.337 2.445 20 5 CEBDHM Cc1c(CN2CC[C@H](C(=O)[O-])[C@H]2C)cccc1[N+](=O)[O-] ZINC000227576559 344554936 /nfs/dbraw/zinc/55/49/36/344554936.db2.gz AAJOFNXWAKZYNV-PWSUYJOCSA-N -1 3 278.308 2.198 20 5 CEBDHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057102537 362572332 /nfs/dbraw/zinc/57/23/32/362572332.db2.gz XQVLCOBYBPVZFE-VHSXEESVSA-N -1 3 286.353 2.308 20 5 CEBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000593664337 345518699 /nfs/dbraw/zinc/51/86/99/345518699.db2.gz PGAWRCKYMDPWJH-UHFFFAOYSA-N -1 3 296.348 2.206 20 5 CEBDHM CCCCCOC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596160811 345956453 /nfs/dbraw/zinc/95/64/53/345956453.db2.gz ZGKSHPQCJSDHDC-UHFFFAOYSA-N -1 3 281.312 2.091 20 5 CEBDHM CC(C)(C)OC(=O)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596146701 345951551 /nfs/dbraw/zinc/95/15/51/345951551.db2.gz HOBXPVXDTHKLHM-UHFFFAOYSA-N -1 3 297.311 2.229 20 5 CEBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000596198390 345967209 /nfs/dbraw/zinc/96/72/09/345967209.db2.gz ZYZSICVZJLWNAA-OCCSQVGLSA-N -1 3 293.323 2.313 20 5 CEBDHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596207641 345969629 /nfs/dbraw/zinc/96/96/29/345969629.db2.gz MMLSTDFSZAFKPC-AWEZNQCLSA-N -1 3 295.339 2.439 20 5 CEBDHM O=c1[n-]ccc(N2CCCc3occc3C2)c1[N+](=O)[O-] ZINC000596238812 345977218 /nfs/dbraw/zinc/97/72/18/345977218.db2.gz LQFJZYXEYGEUIK-UHFFFAOYSA-N -1 3 275.264 2.241 20 5 CEBDHM COC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596256037 345982113 /nfs/dbraw/zinc/98/21/13/345982113.db2.gz WWRGFLGRKQJNTQ-UHFFFAOYSA-N -1 3 267.285 2.067 20 5 CEBDHM COc1ccc([N-]C(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC000062659802 362719573 /nfs/dbraw/zinc/71/95/73/362719573.db2.gz QDWVIJNDYCTAJO-UHFFFAOYSA-N -1 3 279.277 2.312 20 5 in-vitro CEBDHM CCC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OCC ZINC000599117983 346462282 /nfs/dbraw/zinc/46/22/82/346462282.db2.gz FINBYAUQZMKPGW-SECBINFHSA-N -1 3 269.301 2.313 20 5 CEBDHM C[C@@]1(C(=O)[O-])CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000600711848 346675805 /nfs/dbraw/zinc/67/58/05/346675805.db2.gz ZHPKCFFBEAUALE-ZDUSSCGKSA-N -1 3 282.271 2.173 20 5 CEBDHM CC(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000356299223 370648439 /nfs/dbraw/zinc/64/84/39/370648439.db2.gz SZQKEROANJUHES-YFKPBYRVSA-N -1 3 278.186 2.437 20 5 CEBDHM O=[N+]([O-])c1ccc(CSCCc2nnn[n-]2)c(Cl)c1 ZINC000603340125 347343749 /nfs/dbraw/zinc/34/37/49/347343749.db2.gz UHLGUZOPWYIBLM-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM O=[N+]([O-])c1ccc(CSCCc2nn[n-]n2)c(Cl)c1 ZINC000603340125 347343752 /nfs/dbraw/zinc/34/37/52/347343752.db2.gz UHLGUZOPWYIBLM-UHFFFAOYSA-N -1 3 299.743 2.237 20 5 CEBDHM CC(C)[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000617338804 348679427 /nfs/dbraw/zinc/67/94/27/348679427.db2.gz JWDDHJVEXLQATE-LLVKDONJSA-N -1 3 284.287 2.180 20 5 CEBDHM O=C([N-]c1ccn2ccnc2c1)c1ccc([N+](=O)[O-])o1 ZINC000619578150 349202189 /nfs/dbraw/zinc/20/21/89/349202189.db2.gz HZTHWUZWXJEJBN-UHFFFAOYSA-N -1 3 272.220 2.088 20 5 CEBDHM CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122649553 187043818 /nfs/dbraw/zinc/04/38/18/187043818.db2.gz QEVLJVVARANKLU-UHFFFAOYSA-N -1 3 292.382 2.433 20 5 CEBDHM CCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122674341 187045466 /nfs/dbraw/zinc/04/54/66/187045466.db2.gz IRJFQCYVWWDWNF-UHFFFAOYSA-N -1 3 278.355 2.043 20 5 CEBDHM COc1cc(CNc2cncc(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000341438450 215970225 /nfs/dbraw/zinc/97/02/25/215970225.db2.gz UIRSBHZCJAPKJA-UHFFFAOYSA-N -1 3 293.254 2.455 20 5 CEBDHM O=C([O-])[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000003756184 361290005 /nfs/dbraw/zinc/29/00/05/361290005.db2.gz OWNCQZHGAGEWBJ-LBPRGKRZSA-N -1 3 264.281 2.034 20 5 CEBDHM COC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000014788425 361460291 /nfs/dbraw/zinc/46/02/91/361460291.db2.gz YJEKLLSRLARYBC-UHFFFAOYSA-N -1 3 290.231 2.227 20 5 CEBDHM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OCCC(F)(F)F ZINC000162829867 367195524 /nfs/dbraw/zinc/19/55/24/367195524.db2.gz WTTVOXXHGHGSMS-UHFFFAOYSA-N -1 3 292.213 2.138 20 5 CEBDHM CC[C@@H](C)n1nc([N-]c2c([N+](=O)[O-])c(C)nn2C)cc1C ZINC000342781200 367532000 /nfs/dbraw/zinc/53/20/00/367532000.db2.gz GAJNSQFYICXXLA-MRVPVSSYSA-N -1 3 292.343 2.278 20 5 CEBDHM Cc1ncc(CNc2ccc([N+](=O)[O-])cc2F)c(=O)[n-]1 ZINC000343598658 367908692 /nfs/dbraw/zinc/90/86/92/367908692.db2.gz OCXXGDJFEVLWNY-UHFFFAOYSA-N -1 3 278.243 2.150 20 5 CEBDHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416543969 376088238 /nfs/dbraw/zinc/08/82/38/376088238.db2.gz FOWNLSQVHXFQCN-OLZOCXBDSA-N -1 3 298.364 2.308 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CCC2)c1[N+](=O)[O-] ZINC000416507623 376080415 /nfs/dbraw/zinc/08/04/15/376080415.db2.gz OJJLXIDPGCDHPU-UHFFFAOYSA-N -1 3 284.337 2.042 20 5 CEBDHM C[C@H](CF)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000288006136 376358482 /nfs/dbraw/zinc/35/84/82/376358482.db2.gz BCKRVNVMPHKEJQ-SSDOTTSWSA-N -1 3 276.214 2.161 20 5 CEBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCCCOC ZINC000289888504 376546136 /nfs/dbraw/zinc/54/61/36/376546136.db2.gz SVAFQDJJXHGASN-UHFFFAOYSA-N -1 3 297.311 2.247 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCC(=O)[O-] ZINC000565254577 377627936 /nfs/dbraw/zinc/62/79/36/377627936.db2.gz QBQZTOVDMDWGRP-JTQLQIEISA-N -1 3 266.297 2.371 20 5 CEBDHM Cc1ncc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000346801731 218018678 /nfs/dbraw/zinc/01/86/78/218018678.db2.gz CEWXKBWMJIMDKY-VIFPVBQESA-N -1 3 288.307 2.250 20 5 CEBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000272387509 394772575 /nfs/dbraw/zinc/77/25/75/394772575.db2.gz CFMKGSLWJILAST-UHFFFAOYSA-N -1 3 292.744 2.243 20 5 CEBDHM Cc1cccnc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000343203250 395034185 /nfs/dbraw/zinc/03/41/85/395034185.db2.gz BUGXGMRSIOGSLT-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152892523 287078600 /nfs/dbraw/zinc/07/86/00/287078600.db2.gz HJXUTIUATQRZLU-MNOVXSKESA-N -1 3 298.364 2.452 20 5 CEBDHM CCN(CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C ZINC000038024190 174006913 /nfs/dbraw/zinc/00/69/13/174006913.db2.gz BQYMVMDJSZVFNI-UHFFFAOYSA-N -1 3 266.297 2.200 20 5 CEBDHM COCc1nocc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000487559363 290352920 /nfs/dbraw/zinc/35/29/20/290352920.db2.gz MWCSSQRDKWRXHU-UHFFFAOYSA-N -1 3 295.226 2.121 20 5 CEBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2Cl)n1 ZINC000540942906 298272008 /nfs/dbraw/zinc/27/20/08/298272008.db2.gz KZCUZXIGWBACSA-UHFFFAOYSA-N -1 3 298.661 2.373 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)C)c1[N+](=O)[O-] ZINC000189785419 301555250 /nfs/dbraw/zinc/55/52/50/301555250.db2.gz FXKZATVJFHBVQZ-UHFFFAOYSA-N -1 3 286.353 2.288 20 5 CEBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000571782293 314106848 /nfs/dbraw/zinc/10/68/48/314106848.db2.gz RBKLNAVJDMFVLR-UHFFFAOYSA-N -1 3 273.248 2.256 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000577001414 314331440 /nfs/dbraw/zinc/33/14/40/314331440.db2.gz UHSFISHVPADLQN-NSHDSACASA-N -1 3 292.335 2.301 20 5 CEBDHM O=C([N-]c1nc2ccccc2s1)c1c[nH]nc1[N+](=O)[O-] ZINC000577697245 314403413 /nfs/dbraw/zinc/40/34/13/314403413.db2.gz IFKLOFUCEQVVDJ-UHFFFAOYSA-N -1 3 289.276 2.180 20 5 CEBDHM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCC1CC1 ZINC000579238694 314564469 /nfs/dbraw/zinc/56/44/69/314564469.db2.gz SGGZUJVKCVJWAI-UHFFFAOYSA-N -1 3 299.352 2.178 20 5 CEBDHM COc1cc(C(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000183378675 321716366 /nfs/dbraw/zinc/71/63/66/321716366.db2.gz XJYOJSGDKZJEHJ-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM CCOc1cc(CN(CC)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000581197159 322377298 /nfs/dbraw/zinc/37/72/98/322377298.db2.gz WWKQBVGNYPHJEF-UHFFFAOYSA-N -1 3 296.323 2.290 20 5 CEBDHM C[C@@H]1C[C@H](C)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736227533 574778605 /nfs/dbraw/zinc/77/86/05/574778605.db2.gz LFRJDNBIYAGDLS-DTWKUNHWSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1C[C@H](C)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736227533 574778606 /nfs/dbraw/zinc/77/86/06/574778606.db2.gz LFRJDNBIYAGDLS-DTWKUNHWSA-N -1 3 288.311 2.010 20 5 CEBDHM CC(C)CCSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820081707 599089911 /nfs/dbraw/zinc/08/99/11/599089911.db2.gz RUBPPNABHUDFKZ-UHFFFAOYSA-N -1 3 294.340 2.308 20 5 CEBDHM Cc1c([C@H](C)N[C@@H]2CCN(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829860008 604317734 /nfs/dbraw/zinc/31/77/34/604317734.db2.gz SZAKLLUFAJFMJK-WDEREUQCSA-N -1 3 293.323 2.306 20 5 CEBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)[N-]OC1CCC1 ZINC000812796166 632583224 /nfs/dbraw/zinc/58/32/24/632583224.db2.gz SYKIFTGEOUEGKQ-UHFFFAOYSA-N -1 3 293.323 2.387 20 5 CEBDHM CC(C)OCCO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000812805573 632586021 /nfs/dbraw/zinc/58/60/21/632586021.db2.gz QJETYJLWIDQPCX-UHFFFAOYSA-N -1 3 296.323 2.000 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000823635500 635240022 /nfs/dbraw/zinc/24/00/22/635240022.db2.gz YNPFXLOXJAYGRM-UTCJRWHESA-N -1 3 294.274 2.340 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823635500 635240029 /nfs/dbraw/zinc/24/00/29/635240029.db2.gz YNPFXLOXJAYGRM-UTCJRWHESA-N -1 3 294.274 2.340 20 5 CEBDHM CC(C)(CCN1CCc2c(cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000905820987 636486174 /nfs/dbraw/zinc/48/61/74/636486174.db2.gz UKKRCITUQHHUKY-UHFFFAOYSA-N -1 3 292.335 2.454 20 5 CEBDHM COc1ccccc1CO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831217252 637256998 /nfs/dbraw/zinc/25/69/98/637256998.db2.gz YXPARZXXXSWPPL-UHFFFAOYSA-N -1 3 296.323 2.079 20 5 CEBDHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1cccs1 ZINC000853365189 643755639 /nfs/dbraw/zinc/75/56/39/643755639.db2.gz PVELHJFAALGZCU-LBPRGKRZSA-N -1 3 295.320 2.077 20 5 CEBDHM C[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000854240183 644019973 /nfs/dbraw/zinc/01/99/73/644019973.db2.gz QDGMPVUILQNUEB-RXMQYKEDSA-N -1 3 293.106 2.464 20 5 CEBDHM NC(=O)c1ccc(Nc2cccc([N+](=O)[O-])c2)cc1[O-] ZINC001204477630 802608301 /nfs/dbraw/zinc/60/83/01/802608301.db2.gz WYDKSTNSFTWRJA-UHFFFAOYSA-N -1 3 273.248 2.143 20 5 CEBDHM Cc1ncc(Nc2cccc([N+](=O)[O-])c2F)c(=O)[n-]1 ZINC001210381941 802677147 /nfs/dbraw/zinc/67/71/47/802677147.db2.gz SLSIGRBHHUODQW-UHFFFAOYSA-N -1 3 264.216 2.282 20 5 CEBDHM O=C([N-]c1cnsn1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001128700756 809365795 /nfs/dbraw/zinc/36/57/95/809365795.db2.gz DWUXXUHWIAVFPX-UHFFFAOYSA-N -1 3 284.684 2.352 20 5 CEBDHM CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000707962760 809915619 /nfs/dbraw/zinc/91/56/19/809915619.db2.gz VJDLQWBVGVJHMX-MRVPVSSYSA-N -1 3 270.260 2.029 20 5 CEBDHM Cc1cnccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502488 816029757 /nfs/dbraw/zinc/02/97/57/816029757.db2.gz QPIQNBDXAKZEMJ-UHFFFAOYSA-N -1 3 273.248 2.162 20 5 CEBDHM CCC(CC)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601283111 346812355 /nfs/dbraw/zinc/81/23/55/346812355.db2.gz ODPMKKDDNGHOKS-UHFFFAOYSA-N -1 3 292.382 2.432 20 5 CEBDHM COc1ccc(CN2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000042163678 362064295 /nfs/dbraw/zinc/06/42/95/362064295.db2.gz NVEWQKQPJIBXIQ-LLVKDONJSA-N -1 3 294.307 2.043 20 5 CEBDHM Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc1 ZINC000045287515 343482490 /nfs/dbraw/zinc/48/24/90/343482490.db2.gz CWWRDRIDOHKREQ-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM CC[C@H]1CN(CC)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449566935 282286510 /nfs/dbraw/zinc/28/65/10/282286510.db2.gz SLYVJHABYHSMFM-ZDUSSCGKSA-N -1 3 293.367 2.217 20 5 CEBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000252606229 344640811 /nfs/dbraw/zinc/64/08/11/344640811.db2.gz QJPFOWHHRDPDHE-CKYFFXLPSA-N -1 3 278.308 2.451 20 5 CEBDHM COc1ccc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000593290349 345462882 /nfs/dbraw/zinc/46/28/82/345462882.db2.gz GADPADLCGPYMNE-ONGXEEELSA-N -1 3 294.307 2.041 20 5 CEBDHM CC(C)(F)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594845428 345691422 /nfs/dbraw/zinc/69/14/22/345691422.db2.gz VUOFMKXNIJDYPS-UHFFFAOYSA-N -1 3 290.316 2.011 20 5 CEBDHM CCc1noc(CC)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596166411 345957278 /nfs/dbraw/zinc/95/72/78/345957278.db2.gz YCALUZAANPUUIV-UHFFFAOYSA-N -1 3 292.295 2.420 20 5 CEBDHM CC1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596121624 345944463 /nfs/dbraw/zinc/94/44/63/345944463.db2.gz GJNQBWMWQOWVEH-UHFFFAOYSA-N -1 3 251.286 2.322 20 5 CEBDHM CCCO[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596120556 345944527 /nfs/dbraw/zinc/94/45/27/345944527.db2.gz UKPGFWQSGAZHPX-NSHDSACASA-N -1 3 295.339 2.481 20 5 CEBDHM C[C@H](CCc1cccn1C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596136466 345948007 /nfs/dbraw/zinc/94/80/07/345948007.db2.gz AMSFQEYSQPJKCI-SNVBAGLBSA-N -1 3 290.323 2.467 20 5 CEBDHM O=c1[n-]ccc(NCc2noc3c2CCCC3)c1[N+](=O)[O-] ZINC000596236145 345976337 /nfs/dbraw/zinc/97/63/37/345976337.db2.gz RVHJJIMPORPCHX-UHFFFAOYSA-N -1 3 290.279 2.174 20 5 CEBDHM CCC(CC)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596242413 345978378 /nfs/dbraw/zinc/97/83/78/345978378.db2.gz QCJZAVKAIBWILI-UHFFFAOYSA-N -1 3 269.301 2.313 20 5 CEBDHM CSC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596242491 345978404 /nfs/dbraw/zinc/97/84/04/345978404.db2.gz SDJBYJPDGIGDMF-SECBINFHSA-N -1 3 283.353 2.275 20 5 CEBDHM Cc1ncsc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596253421 345981248 /nfs/dbraw/zinc/98/12/48/345981248.db2.gz SRWGDIGBVHRCCF-UHFFFAOYSA-N -1 3 280.309 2.115 20 5 CEBDHM CC1(CC(F)(F)F)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596266552 345985858 /nfs/dbraw/zinc/98/58/58/345985858.db2.gz SLIRDXIAXIOITO-UHFFFAOYSA-N -1 3 291.229 2.474 20 5 CEBDHM O=c1[n-]ccc(N[C@@H](C2CC2)[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596291077 345992263 /nfs/dbraw/zinc/99/22/63/345992263.db2.gz FVAXQPDPGQNRFA-RYUDHWBXSA-N -1 3 293.323 2.455 20 5 CEBDHM C[C@@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])c1nccs1 ZINC000596195652 345966705 /nfs/dbraw/zinc/96/67/05/345966705.db2.gz SUJJRIFSAPZZBJ-QMMMGPOBSA-N -1 3 294.336 2.392 20 5 CEBDHM CCOc1ccc(C(=O)[N-]c2cnoc2)cc1[N+](=O)[O-] ZINC000604542571 347420660 /nfs/dbraw/zinc/42/06/60/347420660.db2.gz LUTCLIDODPRXNU-UHFFFAOYSA-N -1 3 277.236 2.234 20 5 CEBDHM COCc1nc(Sc2ccc([N+](=O)[O-])c(C)c2)n[n-]1 ZINC000271411291 191122521 /nfs/dbraw/zinc/12/25/21/191122521.db2.gz TUEVDTWYCJMYQR-UHFFFAOYSA-N -1 3 280.309 2.319 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000570094055 299237696 /nfs/dbraw/zinc/23/76/96/299237696.db2.gz YTVSUZMYDIAAPY-YGRLFVJLSA-N -1 3 292.335 2.446 20 5 CEBDHM Cc1onc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000452153865 283206005 /nfs/dbraw/zinc/20/60/05/283206005.db2.gz RAWQNTBXNQBGNM-UHFFFAOYSA-N -1 3 281.293 2.244 20 5 CEBDHM O=C([O-])[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000003756180 304105392 /nfs/dbraw/zinc/10/53/92/304105392.db2.gz YAHSRDAQQHEUPZ-LBPRGKRZSA-N -1 3 264.281 2.034 20 5 CEBDHM Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2[nH]1 ZINC000340577858 366942229 /nfs/dbraw/zinc/94/22/29/366942229.db2.gz SLCRNZCYLWAGEA-UHFFFAOYSA-N -1 3 285.263 2.360 20 5 CEBDHM Nc1c(C(=O)Nc2cc(F)ccc2[O-])cccc1[N+](=O)[O-] ZINC000163071333 367216306 /nfs/dbraw/zinc/21/63/06/367216306.db2.gz UQLSFLGXRBNMSS-UHFFFAOYSA-N -1 3 291.238 2.274 20 5 CEBDHM CC[C@H](C)n1nc([N-]c2c([N+](=O)[O-])c(C)nn2C)cc1C ZINC000342781213 367531429 /nfs/dbraw/zinc/53/14/29/367531429.db2.gz GAJNSQFYICXXLA-QMMMGPOBSA-N -1 3 292.343 2.278 20 5 CEBDHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000346015658 368517375 /nfs/dbraw/zinc/51/73/75/368517375.db2.gz OLMZSNQDDCCZQU-JTQLQIEISA-N -1 3 298.364 2.452 20 5 CEBDHM Cc1c(F)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185781801 368859980 /nfs/dbraw/zinc/85/99/80/368859980.db2.gz JBQXPKRFBJJRSV-UHFFFAOYSA-N -1 3 291.238 2.395 20 5 CEBDHM O=C([N-]OC1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000272068249 373290927 /nfs/dbraw/zinc/29/09/27/373290927.db2.gz DUQAJJKNQDEBKT-UHFFFAOYSA-N -1 3 295.251 2.107 20 5 CEBDHM CC1(C)C[C@H]([N-]c2c(F)cccc2[N+](=O)[O-])C(=O)O1 ZINC000286332804 375916535 /nfs/dbraw/zinc/91/65/35/375916535.db2.gz VKDMHYLDWPJJSS-QMMMGPOBSA-N -1 3 268.244 2.240 20 5 CEBDHM Cc1cc(C2CC2)nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000558673539 376630671 /nfs/dbraw/zinc/63/06/71/376630671.db2.gz COFLGZCDVYQSMK-UHFFFAOYSA-N -1 3 288.263 2.416 20 5 CEBDHM C[C@@H]1CC[C@@H](N(CCO)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330449558 377138014 /nfs/dbraw/zinc/13/80/14/377138014.db2.gz JDVOBLDYRHYAFV-DGCLKSJQSA-N -1 3 294.351 2.283 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000293839878 377783175 /nfs/dbraw/zinc/78/31/75/377783175.db2.gz WLBALZNPOYWWLI-QMMMGPOBSA-N -1 3 297.267 2.211 20 5 CEBDHM Cc1c(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000521042798 379513324 /nfs/dbraw/zinc/51/33/24/379513324.db2.gz QYPRWNIVMJPETF-GWCFXTLKSA-N -1 3 292.335 2.446 20 5 CEBDHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccccc1[N+](=O)[O-] ZINC000289330962 197299771 /nfs/dbraw/zinc/29/97/71/197299771.db2.gz YBBWCONSMDFKEE-ZETCQYMHSA-N -1 3 258.224 2.427 20 5 CEBDHM O=C([O-])[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000003756178 394454445 /nfs/dbraw/zinc/45/44/45/394454445.db2.gz JSMQXKIDAJNTOW-GFCCVEGCSA-N -1 3 264.281 2.034 20 5 CEBDHM O=c1[nH]c(-c2ccc([N+](=O)[O-])s2)nc2ccc([O-])cc12 ZINC000436927398 395164320 /nfs/dbraw/zinc/16/43/20/395164320.db2.gz PMTLXEYJLRMAHF-UHFFFAOYSA-N -1 3 289.272 2.265 20 5 CEBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OC/C=C\Cl ZINC000493777664 395674152 /nfs/dbraw/zinc/67/41/52/395674152.db2.gz LVKWVQWBISVHRU-PZWNUATCSA-N -1 3 282.683 2.408 20 5 CEBDHM CO[C@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339091994 286038524 /nfs/dbraw/zinc/03/85/24/286038524.db2.gz RAVVFUNZUGHZPD-OCCSQVGLSA-N -1 3 280.324 2.348 20 5 CEBDHM Cc1ccc(CN2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263426180 154082621 /nfs/dbraw/zinc/08/26/21/154082621.db2.gz QNMUGGCIVKXPHJ-LBPRGKRZSA-N -1 3 278.308 2.342 20 5 CEBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc([O-])c1 ZINC000182941365 165380766 /nfs/dbraw/zinc/38/07/66/165380766.db2.gz RRUJRHCNFUNGSW-UHFFFAOYSA-N -1 3 298.258 2.429 20 5 CEBDHM C[C@@H](NCCCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000037418164 173195534 /nfs/dbraw/zinc/19/55/34/173195534.db2.gz GGTHDDNUBFRGGL-SECBINFHSA-N -1 3 252.270 2.110 20 5 CEBDHM CO[C@H]1C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000459729012 290218985 /nfs/dbraw/zinc/21/89/85/290218985.db2.gz DBEAQWDCNQFYDB-KGLIPLIRSA-N -1 3 292.335 2.348 20 5 CEBDHM CO[C@@H]1C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000459729016 290219311 /nfs/dbraw/zinc/21/93/11/290219311.db2.gz DBEAQWDCNQFYDB-ZIAGYGMSSA-N -1 3 292.335 2.348 20 5 CEBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(CO)n2)c(Cl)c1 ZINC000526074522 297697038 /nfs/dbraw/zinc/69/70/38/297697038.db2.gz DVEDYBBCAVBRRY-UHFFFAOYSA-N -1 3 286.700 2.010 20 5 CEBDHM O=C([N-]c1cccc2ocnc21)c1ccc([N+](=O)[O-])cn1 ZINC000560099217 298633629 /nfs/dbraw/zinc/63/36/29/298633629.db2.gz BOIHGEKNHKMQEI-UHFFFAOYSA-N -1 3 284.231 2.383 20 5 CEBDHM CC(C)(C)c1ccc([N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000577270779 314358917 /nfs/dbraw/zinc/35/89/17/314358917.db2.gz KCEUNDVLJJTDDI-UHFFFAOYSA-N -1 3 272.326 2.264 20 5 CEBDHM CC[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736321339 574782988 /nfs/dbraw/zinc/78/29/88/574782988.db2.gz BSUKGZHIPCSHSP-SECBINFHSA-N -1 3 290.327 2.257 20 5 CEBDHM CC[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736321339 574782989 /nfs/dbraw/zinc/78/29/89/574782989.db2.gz BSUKGZHIPCSHSP-SECBINFHSA-N -1 3 290.327 2.257 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCCNC(=O)[O-] ZINC000739059784 574891462 /nfs/dbraw/zinc/89/14/62/574891462.db2.gz POHLRLFEJPOGKA-JTQLQIEISA-N -1 3 281.312 2.245 20 5 CEBDHM CC(C)(C(=O)[N-]C1=NCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000739504316 574921684 /nfs/dbraw/zinc/92/16/84/574921684.db2.gz URZLPGSANKCGJP-UHFFFAOYSA-N -1 3 293.348 2.091 20 5 CEBDHM CCN(CC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633504 601113216 /nfs/dbraw/zinc/11/32/16/601113216.db2.gz GIIULZAXOJBNTK-UHFFFAOYSA-N -1 3 272.688 2.155 20 5 CEBDHM CN(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CNC(=O)[O-] ZINC000828360579 603544398 /nfs/dbraw/zinc/54/43/98/603544398.db2.gz ZMQRVBLRNCDFER-UHFFFAOYSA-N -1 3 295.339 2.320 20 5 CEBDHM CCN(CCN[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000827150642 603622472 /nfs/dbraw/zinc/62/24/72/603622472.db2.gz LJGDNSUSEDILTJ-SNVBAGLBSA-N -1 3 281.312 2.245 20 5 CEBDHM CC[C@@H](C)CSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820870340 606799424 /nfs/dbraw/zinc/79/94/24/606799424.db2.gz QUMQNPZRDIHXIJ-SSDOTTSWSA-N -1 3 294.340 2.308 20 5 CEBDHM C[C@@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820683684 606876946 /nfs/dbraw/zinc/87/69/46/606876946.db2.gz FTCVRVSZYBROCM-DTORHVGOSA-N -1 3 288.311 2.152 20 5 CEBDHM C[C@@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820683684 606876950 /nfs/dbraw/zinc/87/69/50/606876950.db2.gz FTCVRVSZYBROCM-DTORHVGOSA-N -1 3 288.311 2.152 20 5 CEBDHM CCCO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000844085926 622991420 /nfs/dbraw/zinc/99/14/20/622991420.db2.gz SWMAEJAHUFRGOX-UHFFFAOYSA-N -1 3 258.661 2.320 20 5 CEBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cncc(Cl)n1 ZINC000236139141 625899869 /nfs/dbraw/zinc/89/98/69/625899869.db2.gz KQEJPHJGZPVENT-UHFFFAOYSA-N -1 3 296.645 2.430 20 5 CEBDHM Cc1nc(N(C)CCc2ccccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC000893816271 629005151 /nfs/dbraw/zinc/00/51/51/629005151.db2.gz JRSKENPTZGNCAK-UHFFFAOYSA-N -1 3 288.307 2.078 20 5 CEBDHM COC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000896503318 630584007 /nfs/dbraw/zinc/58/40/07/630584007.db2.gz MYNJOQNNYQJLGL-SECBINFHSA-N -1 3 269.301 2.026 20 5 CEBDHM C[C@H]1CC2(CC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CO1 ZINC000897043476 630905185 /nfs/dbraw/zinc/90/51/85/630905185.db2.gz ARXLYIVHTSCTJV-BVDKZHGWSA-N -1 3 279.296 2.065 20 5 CEBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627933 635190055 /nfs/dbraw/zinc/19/00/55/635190055.db2.gz UZBOYVGYKZOUKP-ZKCLLBTKSA-N -1 3 290.319 2.308 20 5 CEBDHM O=C([O-])[C@]12C[C@H]1CCCN2Cc1ccccc1[N+](=O)[O-] ZINC000903936681 635361863 /nfs/dbraw/zinc/36/18/63/635361863.db2.gz RHPWBZHDFQMKHB-RISCZKNCSA-N -1 3 276.292 2.034 20 5 CEBDHM O=C([N-]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)F ZINC000787431600 648108992 /nfs/dbraw/zinc/10/89/92/648108992.db2.gz NWORZPRBUIPNEO-UHFFFAOYSA-N -1 3 264.615 2.130 20 5 CEBDHM O=C([O-])[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000874047185 649741384 /nfs/dbraw/zinc/74/13/84/649741384.db2.gz SKXGFYCBGVSABM-OTSSQURYSA-N -1 3 284.699 2.201 20 5 CEBDHM Cc1cnc(NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC001169731561 811649321 /nfs/dbraw/zinc/64/93/21/811649321.db2.gz AJPDASRBCNNHLW-UHFFFAOYSA-N -1 3 260.253 2.011 20 5 CEBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nocc2C2CC2)n1 ZINC001133284207 813024723 /nfs/dbraw/zinc/02/47/23/813024723.db2.gz IBZREXJJHHYZPN-UHFFFAOYSA-N -1 3 288.263 2.416 20 5 CEBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(CC2CC2)c1 ZINC000078675859 343961550 /nfs/dbraw/zinc/96/15/50/343961550.db2.gz NJKURYQABOFCGE-UHFFFAOYSA-N -1 3 259.269 2.340 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C1CCC1 ZINC000157546134 344447452 /nfs/dbraw/zinc/44/74/52/344447452.db2.gz UZIACQPNVFGXOC-JTQLQIEISA-N -1 3 298.364 2.370 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C1CCC1 ZINC000157546271 344447529 /nfs/dbraw/zinc/44/75/29/344447529.db2.gz UZIACQPNVFGXOC-SNVBAGLBSA-N -1 3 298.364 2.370 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OC/C=C\Cl ZINC000493123103 290734989 /nfs/dbraw/zinc/73/49/89/290734989.db2.gz UNODAZBCZJHAJH-SENFBNHQSA-N -1 3 282.683 2.408 20 5 CEBDHM CC(C)[C@H](O)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172858 345959291 /nfs/dbraw/zinc/95/92/91/345959291.db2.gz NJEBSVFPMIRJMS-NSHDSACASA-N -1 3 283.328 2.150 20 5 CEBDHM Cc1nc(C)c(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596121193 345944504 /nfs/dbraw/zinc/94/45/04/345944504.db2.gz WCUYEIYZGBZKDF-UHFFFAOYSA-N -1 3 294.336 2.423 20 5 CEBDHM CSCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596130248 345946400 /nfs/dbraw/zinc/94/64/00/345946400.db2.gz PMLVROSILRTHQG-UHFFFAOYSA-N -1 3 257.315 2.251 20 5 CEBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000596149584 345952680 /nfs/dbraw/zinc/95/26/80/345952680.db2.gz NYVPUUYUVQLRRO-GXFFZTMASA-N -1 3 281.312 2.049 20 5 CEBDHM CCSC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596511897 346042352 /nfs/dbraw/zinc/04/23/52/346042352.db2.gz SBEGCWDEOAULLF-UHFFFAOYSA-N -1 3 269.326 2.393 20 5 CEBDHM O=c1[n-]ccc(NCC[C@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000598637127 346389793 /nfs/dbraw/zinc/38/97/93/346389793.db2.gz JLOMKQONFUXSIV-LURJTMIESA-N -1 3 259.212 2.153 20 5 CEBDHM CC1(C)C[C@H](Sc2cc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC000599125904 346463943 /nfs/dbraw/zinc/46/39/43/346463943.db2.gz UHAOBELLNBNDLX-ZETCQYMHSA-N -1 3 270.310 2.355 20 5 CEBDHM CO[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000611984177 347831414 /nfs/dbraw/zinc/83/14/14/347831414.db2.gz PDLCLODNCKEJJI-CYBMUJFWSA-N -1 3 280.324 2.301 20 5 CEBDHM CC(C)CN(CC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000086777829 179329211 /nfs/dbraw/zinc/32/92/11/179329211.db2.gz SJERMOGRNQBMAU-UHFFFAOYSA-N -1 3 272.326 2.199 20 5 CEBDHM O=[N+]([O-])c1cnc([N-]c2cnn(C(F)F)c2)s1 ZINC000337013263 365985507 /nfs/dbraw/zinc/98/55/07/365985507.db2.gz ISXGHZLAIHCTID-UHFFFAOYSA-N -1 3 261.213 2.387 20 5 CEBDHM CC[C@H](C)CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000292118423 198169310 /nfs/dbraw/zinc/16/93/10/198169310.db2.gz HUCDHBPAVWBNGJ-QMMMGPOBSA-N -1 3 270.260 2.441 20 5 CEBDHM CCCCN(CCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339074540 366641669 /nfs/dbraw/zinc/64/16/69/366641669.db2.gz BRBBIMQDHXSTNG-UHFFFAOYSA-N -1 3 282.340 2.285 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]C2CC(C)C2)cc1[N+](=O)[O-] ZINC000342504888 216375916 /nfs/dbraw/zinc/37/59/16/216375916.db2.gz IGCNPQBGFYPJFZ-UHFFFAOYSA-N -1 3 290.366 2.042 20 5 CEBDHM Cc1ccc(S(=O)(=O)[N-]CC2CCCC2)c([N+](=O)[O-])c1 ZINC000330404452 202784469 /nfs/dbraw/zinc/78/44/69/202784469.db2.gz DCBHCGPKUUTLTL-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM COCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000340830029 367046753 /nfs/dbraw/zinc/04/67/53/367046753.db2.gz DDNXEFVRSOVEGM-UHFFFAOYSA-N -1 3 283.265 2.043 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000163054516 367214929 /nfs/dbraw/zinc/21/49/29/367214929.db2.gz LXQZWUXPRZZQBB-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000163054516 367214934 /nfs/dbraw/zinc/21/49/34/367214934.db2.gz LXQZWUXPRZZQBB-LBPRGKRZSA-N -1 3 295.295 2.483 20 5 CEBDHM COc1cc(CNCc2ccoc2)c([N+](=O)[O-])cc1[O-] ZINC000171128426 367484804 /nfs/dbraw/zinc/48/48/04/367484804.db2.gz ANKUHRUEKQURTF-UHFFFAOYSA-N -1 3 278.264 2.192 20 5 CEBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000247181502 371073383 /nfs/dbraw/zinc/07/33/83/371073383.db2.gz POEFUKSILQNHGK-XYPYZODXSA-N -1 3 298.364 2.452 20 5 CEBDHM O=C(/C=C\c1cncc([O-])c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000255126195 371559860 /nfs/dbraw/zinc/55/98/60/371559860.db2.gz NFRDRNPTXQITIV-UTCJRWHESA-N -1 3 299.286 2.025 20 5 CEBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cscn1 ZINC000062663505 284317056 /nfs/dbraw/zinc/31/70/56/284317056.db2.gz KNQNJYPBVBOQII-UHFFFAOYSA-N -1 3 267.241 2.443 20 5 CEBDHM Cc1ccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(F)c1 ZINC000344682374 217274130 /nfs/dbraw/zinc/27/41/30/217274130.db2.gz BTZUSVUWFBCVPP-UHFFFAOYSA-N -1 3 278.243 2.028 20 5 CEBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCCC(F)(F)F ZINC000275261603 374201550 /nfs/dbraw/zinc/20/15/50/374201550.db2.gz YVBNBHLHZTZCMI-UHFFFAOYSA-N -1 3 292.213 2.138 20 5 CEBDHM COCCCO[N-]C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000287523679 376249860 /nfs/dbraw/zinc/24/98/60/376249860.db2.gz KLGGDAOPYNNTJD-UHFFFAOYSA-N -1 3 297.311 2.301 20 5 CEBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]OC(C)C ZINC000294076477 377896006 /nfs/dbraw/zinc/89/60/06/377896006.db2.gz LFZDJPWHWRQIFI-UHFFFAOYSA-N -1 3 268.269 2.063 20 5 CEBDHM CC(C)(CCC(=O)Nc1cc(F)ccc1[O-])[N+](=O)[O-] ZINC000295427182 378152650 /nfs/dbraw/zinc/15/26/50/378152650.db2.gz WHNINHRDBSFZQY-UHFFFAOYSA-N -1 3 270.260 2.305 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@]2(CCOC2)C1 ZINC000449689094 378219951 /nfs/dbraw/zinc/21/99/51/378219951.db2.gz XTYPPUQGYOKFJA-HNNXBMFYSA-N -1 3 292.335 2.303 20 5 CEBDHM Cc1ccc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000514602649 379130439 /nfs/dbraw/zinc/13/04/39/379130439.db2.gz IILPIPLZIGDPJR-ZWNOBZJWSA-N -1 3 292.335 2.446 20 5 CEBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000491996342 380412499 /nfs/dbraw/zinc/41/24/99/380412499.db2.gz DIRQDFQLVRWPEJ-FPLPWBNLSA-N -1 3 299.286 2.025 20 5 CEBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]OC1CCC1 ZINC000493614097 381088751 /nfs/dbraw/zinc/08/87/51/381088751.db2.gz DFQTXFXBLLMVDB-FNORWQNLSA-N -1 3 280.255 2.347 20 5 CEBDHM CCc1nn(C)c([N-]c2cc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000288441149 197079904 /nfs/dbraw/zinc/07/99/04/197079904.db2.gz OEGLXSGIIYPJPA-UHFFFAOYSA-N -1 3 290.327 2.167 20 5 CEBDHM CN1CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211452038 394448353 /nfs/dbraw/zinc/44/83/53/394448353.db2.gz LGBQSLPIEBAXHB-SNVBAGLBSA-N -1 3 293.323 2.047 20 5 CEBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000078250735 394625201 /nfs/dbraw/zinc/62/52/01/394625201.db2.gz YXUAYUOIQIRXNH-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM C[C@@H](CO)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000339108621 394944278 /nfs/dbraw/zinc/94/42/78/394944278.db2.gz QXNBNNSIVFBCFQ-NSHDSACASA-N -1 3 294.351 2.426 20 5 CEBDHM Cc1nc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000348041857 395134266 /nfs/dbraw/zinc/13/42/66/395134266.db2.gz ISGWBJPAUYJQJE-UHFFFAOYSA-N -1 3 287.235 2.020 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000192712994 395391255 /nfs/dbraw/zinc/39/12/55/395391255.db2.gz XSWZYOHPDKOKCK-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM COc1cc(CN2CCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000568064720 395545373 /nfs/dbraw/zinc/54/53/73/395545373.db2.gz NZXXCTPCYPZUIR-NSHDSACASA-N -1 3 294.307 2.043 20 5 CEBDHM O=[N+]([O-])c1cc(Cl)cnc1NCc1ncccc1[O-] ZINC000359869521 155155950 /nfs/dbraw/zinc/15/59/50/155155950.db2.gz DDHOLSNBFJBPMF-UHFFFAOYSA-N -1 3 280.671 2.356 20 5 CEBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC(C)C)c1 ZINC000284438467 196054212 /nfs/dbraw/zinc/05/42/12/196054212.db2.gz QABVFMUOWBBPLB-UHFFFAOYSA-N -1 3 282.296 2.311 20 5 CEBDHM O=C(NCc1ccc([O-])c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000172416782 297489030 /nfs/dbraw/zinc/48/90/30/297489030.db2.gz VXXWYVCRFJIHOY-UHFFFAOYSA-N -1 3 296.279 2.431 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000127736586 302047944 /nfs/dbraw/zinc/04/79/44/302047944.db2.gz WAVDBUHYEFAVKM-LLVKDONJSA-N -1 3 296.348 2.290 20 5 CEBDHM COc1cccnc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000522172502 313141518 /nfs/dbraw/zinc/14/15/18/313141518.db2.gz FLXNSCAAIZBSGJ-UHFFFAOYSA-N -1 3 279.277 2.312 20 5 CEBDHM O=C(Nc1ccsc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000156598040 527470504 /nfs/dbraw/zinc/47/05/04/527470504.db2.gz OAJRSCOFFMKYTE-UHFFFAOYSA-N -1 3 265.250 2.009 20 5 CEBDHM CC(C)[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735702684 574764848 /nfs/dbraw/zinc/76/48/48/574764848.db2.gz QMWFHCCKPASAEW-SECBINFHSA-N -1 3 290.327 2.256 20 5 CEBDHM CC(C)[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735702684 574764849 /nfs/dbraw/zinc/76/48/49/574764849.db2.gz QMWFHCCKPASAEW-SECBINFHSA-N -1 3 290.327 2.256 20 5 CEBDHM CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821040888 606420046 /nfs/dbraw/zinc/42/00/46/606420046.db2.gz UUGXIAAECQACCR-PELKAZGASA-N -1 3 288.311 2.375 20 5 CEBDHM CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821040888 606420048 /nfs/dbraw/zinc/42/00/48/606420048.db2.gz UUGXIAAECQACCR-PELKAZGASA-N -1 3 288.311 2.375 20 5 CEBDHM C[C@@H]1CC[C@@H](C)N1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820685346 606879356 /nfs/dbraw/zinc/87/93/56/606879356.db2.gz UCNFDGBEZYSSLY-RKDXNWHRSA-N -1 3 288.311 2.152 20 5 CEBDHM C[C@@H]1CC[C@@H](C)N1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820685346 606879357 /nfs/dbraw/zinc/87/93/57/606879357.db2.gz UCNFDGBEZYSSLY-RKDXNWHRSA-N -1 3 288.311 2.152 20 5 CEBDHM Cc1cc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)ccc1[N+](=O)[O-] ZINC000894374198 629404744 /nfs/dbraw/zinc/40/47/44/629404744.db2.gz FWZLHDQWBXLCRM-SNVBAGLBSA-N -1 3 288.307 2.326 20 5 CEBDHM Cc1c(CC(=O)[N-]OC2CCC2)cccc1[N+](=O)[O-] ZINC000812787364 632579128 /nfs/dbraw/zinc/57/91/28/632579128.db2.gz OSYNTCPMWFFMGZ-UHFFFAOYSA-N -1 3 264.281 2.046 20 5 CEBDHM O=c1[n-]ccc(N[C@H](C2CCC2)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000866140147 647626834 /nfs/dbraw/zinc/62/68/34/647626834.db2.gz AIWRFAITTXYBBP-ZYHUDNBSSA-N -1 3 293.323 2.313 20 5 CEBDHM O=c1[n-]ccc(NC[C@H]2CCC23CCOCC3)c1[N+](=O)[O-] ZINC000866173488 647642211 /nfs/dbraw/zinc/64/22/11/647642211.db2.gz SVFXWUJHQSJZSV-SNVBAGLBSA-N -1 3 293.323 2.314 20 5 CEBDHM CS[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000695457505 803686696 /nfs/dbraw/zinc/68/66/96/803686696.db2.gz GEVPKMSBFKJQSH-YUMQZZPRSA-N -1 3 269.326 2.391 20 5 CEBDHM C[C@@H](CC(=O)OC(C)(C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001118524599 815021863 /nfs/dbraw/zinc/02/18/63/815021863.db2.gz FVWSALOKVAASML-QMMMGPOBSA-N -1 3 297.311 2.228 20 5 CEBDHM O=C([N-]OCC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000714070315 814886015 /nfs/dbraw/zinc/88/60/15/814886015.db2.gz PRPMCZPXGQPXOC-UHFFFAOYSA-N -1 3 268.244 2.195 20 5 CEBDHM O=C([O-])[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602067386 346968050 /nfs/dbraw/zinc/96/80/50/346968050.db2.gz RAQVMIXFRGZPAM-RJNRQISESA-N -1 3 290.319 2.405 20 5 CEBDHM C[C@H](CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000251125333 344635583 /nfs/dbraw/zinc/63/55/83/344635583.db2.gz SEVBJURILQFVLQ-NXEZZACHSA-N -1 3 266.297 2.308 20 5 CEBDHM C[C@H](CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000593749172 345532691 /nfs/dbraw/zinc/53/26/91/345532691.db2.gz ACRWWMCJHNUXMM-SNVBAGLBSA-N -1 3 278.308 2.280 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C)CC=CC1 ZINC000594472376 345636934 /nfs/dbraw/zinc/63/69/34/345636934.db2.gz BCLCLCAHRVJWBT-UHFFFAOYSA-N -1 3 296.348 2.290 20 5 CEBDHM C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000594541703 345645428 /nfs/dbraw/zinc/64/54/28/345645428.db2.gz XHHKEFXQFNFFDF-ZETCQYMHSA-N -1 3 272.688 2.059 20 5 CEBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1[N+](=O)[O-] ZINC000596162070 345956920 /nfs/dbraw/zinc/95/69/20/345956920.db2.gz YAIMFWHGKCCDLH-NGZCFLSTSA-N -1 3 279.296 2.065 20 5 CEBDHM O=c1[n-]ccc(NCCC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596191788 345965908 /nfs/dbraw/zinc/96/59/08/345965908.db2.gz GDHLLYFJGZKNHK-JTQLQIEISA-N -1 3 281.312 2.457 20 5 CEBDHM O=c1[n-]ccc(N[C@H]2CCO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000596220288 345973279 /nfs/dbraw/zinc/97/32/79/345973279.db2.gz YJSBJGFWULNRHY-GXSJLCMTSA-N -1 3 279.296 2.065 20 5 CEBDHM CCOC1CC2(C1)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596229147 345975026 /nfs/dbraw/zinc/97/50/26/345975026.db2.gz CXDVWNLUSRLTQA-UHFFFAOYSA-N -1 3 293.323 2.091 20 5 CEBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1[O-] ZINC000175082610 232304392 /nfs/dbraw/zinc/30/43/92/232304392.db2.gz NTBUVFPTIYNYOO-UHFFFAOYSA-N -1 3 272.260 2.482 20 5 CEBDHM O=c1[n-]ccc(N[C@H](C2CC2)C2CCOCC2)c1[N+](=O)[O-] ZINC000596290857 345992321 /nfs/dbraw/zinc/99/23/21/345992321.db2.gz WELBYFUSGMTPHT-GFCCVEGCSA-N -1 3 293.323 2.313 20 5 CEBDHM C[C@@H](SCCc1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000603337898 347342210 /nfs/dbraw/zinc/34/22/10/347342210.db2.gz FOXJHRHNMZOGOT-MRVPVSSYSA-N -1 3 279.325 2.145 20 5 CEBDHM C[C@@H](SCCc1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000603337898 347342219 /nfs/dbraw/zinc/34/22/19/347342219.db2.gz FOXJHRHNMZOGOT-MRVPVSSYSA-N -1 3 279.325 2.145 20 5 CEBDHM O=C([O-])C1(NCc2csc([N+](=O)[O-])c2)CCCC1 ZINC000610896884 347721285 /nfs/dbraw/zinc/72/12/85/347721285.db2.gz DTXGWEOIVLZVEZ-UHFFFAOYSA-N -1 3 270.310 2.143 20 5 CEBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774770 179327430 /nfs/dbraw/zinc/32/74/30/179327430.db2.gz FHCZQXSSDRKHKQ-NRUUGDAUSA-N -1 3 278.308 2.308 20 5 CEBDHM CC(C)[C@H](CNCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000617338805 348679513 /nfs/dbraw/zinc/67/95/13/348679513.db2.gz JWDDHJVEXLQATE-NSHDSACASA-N -1 3 284.287 2.180 20 5 CEBDHM COc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2C)on1 ZINC000090706800 180027913 /nfs/dbraw/zinc/02/79/13/180027913.db2.gz RANARWUMJZXACL-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM CC(C)CO[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000122950155 187061712 /nfs/dbraw/zinc/06/17/12/187061712.db2.gz YCKSCTVMTPNVDQ-UHFFFAOYSA-N -1 3 295.339 2.491 20 5 CEBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C1CC1 ZINC000451096474 282892061 /nfs/dbraw/zinc/89/20/61/282892061.db2.gz OQNOQNMWMKKISS-UHFFFAOYSA-N -1 3 299.352 2.319 20 5 CEBDHM COCCCn1ccc([N-]c2cc(C)c([N+](=O)[O-])cn2)n1 ZINC000074765969 363386913 /nfs/dbraw/zinc/38/69/13/363386913.db2.gz QHPXRZMSUHUDPC-UHFFFAOYSA-N -1 3 291.311 2.275 20 5 CEBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451804973 283110245 /nfs/dbraw/zinc/11/02/45/283110245.db2.gz AENZKJYPUTVNNQ-MNOVXSKESA-N -1 3 298.364 2.228 20 5 CEBDHM O=C([O-])C1(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000578515136 366504756 /nfs/dbraw/zinc/50/47/56/366504756.db2.gz LKGRDIVOQBSJTF-UHFFFAOYSA-N -1 3 290.319 2.424 20 5 CEBDHM COc1ccc(O)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000340310859 366843681 /nfs/dbraw/zinc/84/36/81/366843681.db2.gz XFPWFLXMLGRMKB-UHFFFAOYSA-N -1 3 278.220 2.154 20 5 CEBDHM CC(C)c1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000120761959 365470601 /nfs/dbraw/zinc/47/06/01/365470601.db2.gz FURYIWNUKAYQNG-UHFFFAOYSA-N -1 3 281.297 2.150 20 5 CEBDHM Cc1nnsc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000348004805 368854048 /nfs/dbraw/zinc/85/40/48/368854048.db2.gz KOAZIGMXJPQETC-UHFFFAOYSA-N -1 3 282.256 2.146 20 5 CEBDHM O=[N+]([O-])c1ccc(Cc2noc(-c3ccccc3[O-])n2)nc1 ZINC000350564904 369547441 /nfs/dbraw/zinc/54/74/41/369547441.db2.gz FWKMHTXYFMAUDY-UHFFFAOYSA-N -1 3 298.258 2.336 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncs2)c1 ZINC000358471300 371080280 /nfs/dbraw/zinc/08/02/80/371080280.db2.gz QANIGYRDLJWMBB-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM CCCc1cnc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000272022130 373264185 /nfs/dbraw/zinc/26/41/85/373264185.db2.gz NCZDAQOGPJHPCM-UHFFFAOYSA-N -1 3 295.324 2.288 20 5 CEBDHM Cc1cccc(C(=O)N=c2cc3ccccn3[n-]2)c1[N+](=O)[O-] ZINC000557528621 376562714 /nfs/dbraw/zinc/56/27/14/376562714.db2.gz CZUQCCAXIZUPJC-UHFFFAOYSA-N -1 3 296.286 2.225 20 5 CEBDHM CCn1nc(C)c([N+](=O)[O-])c1[N-]c1cc(C2CC2)n(C)n1 ZINC000291217499 377125012 /nfs/dbraw/zinc/12/50/12/377125012.db2.gz VQQVAMGJHWQNIA-UHFFFAOYSA-N -1 3 290.327 2.474 20 5 CEBDHM CCN1C[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000330452324 377140037 /nfs/dbraw/zinc/14/00/37/377140037.db2.gz KSYZWENKGJKWGL-NEPJUHHUSA-N -1 3 293.367 2.215 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(C)C2)c1C ZINC000332443896 377605873 /nfs/dbraw/zinc/60/58/73/377605873.db2.gz KSOMCHXCRZYFKH-UHFFFAOYSA-N -1 3 298.364 2.288 20 5 CEBDHM COc1cc(CNCCC(C)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000296082314 378411927 /nfs/dbraw/zinc/41/19/27/378411927.db2.gz QQKOHDJMGXGPQW-UHFFFAOYSA-N -1 3 290.266 2.444 20 5 CEBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]OCC(F)F ZINC000492622662 380631008 /nfs/dbraw/zinc/63/10/08/380631008.db2.gz KJBDLHTUDVKPHM-RQOWECAXSA-N -1 3 290.197 2.060 20 5 CEBDHM Cc1ccc(C(=O)N=c2cc3ccccn3[n-]2)cc1[N+](=O)[O-] ZINC000553322856 380734643 /nfs/dbraw/zinc/73/46/43/380734643.db2.gz BXMLHCUYPXSINS-UHFFFAOYSA-N -1 3 296.286 2.225 20 5 CEBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OC/C=C/Cl ZINC000493123089 380807965 /nfs/dbraw/zinc/80/79/65/380807965.db2.gz UNODAZBCZJHAJH-KQYLTSGPSA-N -1 3 282.683 2.408 20 5 CEBDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104761409 394721066 /nfs/dbraw/zinc/72/10/66/394721066.db2.gz WIJWBNSZXBZBPC-VHSXEESVSA-N -1 3 284.337 2.062 20 5 CEBDHM CCC[C@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423749918 394975349 /nfs/dbraw/zinc/97/53/49/394975349.db2.gz WMJVECNHHMGVCA-ZETCQYMHSA-N -1 3 287.703 2.020 20 5 CEBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C)CC2)c1[N+](=O)[O-] ZINC000360239432 155248233 /nfs/dbraw/zinc/24/82/33/155248233.db2.gz BKDKNCIJWBKFAY-UHFFFAOYSA-N -1 3 298.364 2.290 20 5 CEBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc(C2CC2)n1 ZINC000160220971 270238387 /nfs/dbraw/zinc/23/83/87/270238387.db2.gz BREOYCQFCAMZJP-UHFFFAOYSA-N -1 3 288.263 2.416 20 5 CEBDHM C[C@@H]1Cc2ccccc2N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187537802 279019439 /nfs/dbraw/zinc/01/94/39/279019439.db2.gz QXMFSGUYYQMYFU-SECBINFHSA-N -1 3 299.286 2.287 20 5 CEBDHM Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000122506071 279781043 /nfs/dbraw/zinc/78/10/43/279781043.db2.gz UUAPZUZXKFAZFW-UHFFFAOYSA-N -1 3 297.274 2.427 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCC[C@H]1C ZINC000104762582 302049927 /nfs/dbraw/zinc/04/99/27/302049927.db2.gz PFPHOBSVXSEIQG-KOLCDFICSA-N -1 3 298.364 2.370 20 5 CEBDHM O=[N+]([O-])c1ccc([O-])cc1CNC1(CCO)CCCCC1 ZINC000339048237 304804304 /nfs/dbraw/zinc/80/43/04/304804304.db2.gz RYNHFMHIPHTJNZ-UHFFFAOYSA-N -1 3 294.351 2.475 20 5 CEBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)cs1 ZINC000535728151 313394342 /nfs/dbraw/zinc/39/43/42/313394342.db2.gz YPNMYPNFVRMXAW-UHFFFAOYSA-N -1 3 264.266 2.007 20 5 CEBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccsc2)n1 ZINC000191620576 529155247 /nfs/dbraw/zinc/15/52/47/529155247.db2.gz CTPIXVXOJSZXMY-UHFFFAOYSA-N -1 3 266.282 2.125 20 5 CEBDHM CCO[N-]C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191403408 535725942 /nfs/dbraw/zinc/72/59/42/535725942.db2.gz ZRIQQHAKNYGJLG-UHFFFAOYSA-N -1 3 253.258 2.285 20 5 CEBDHM CN(CC1CCC1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736794363 574797125 /nfs/dbraw/zinc/79/71/25/574797125.db2.gz RGJQHGRKYSCDDJ-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM CN(CC1CCC1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736794363 574797126 /nfs/dbraw/zinc/79/71/26/574797126.db2.gz RGJQHGRKYSCDDJ-UHFFFAOYSA-N -1 3 288.311 2.011 20 5 CEBDHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000825479673 603621266 /nfs/dbraw/zinc/62/12/66/603621266.db2.gz PFGIXICRTALHLB-CMPLNLGQSA-N -1 3 293.323 2.388 20 5 CEBDHM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000825479674 603621334 /nfs/dbraw/zinc/62/13/34/603621334.db2.gz PFGIXICRTALHLB-JQWIXIFHSA-N -1 3 293.323 2.388 20 5 CEBDHM Cc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830257451 604316749 /nfs/dbraw/zinc/31/67/49/604316749.db2.gz UOZOHIPYVMAHML-ZYHUDNBSSA-N -1 3 293.323 2.306 20 5 CEBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN(C)C(=O)[O-] ZINC000830427696 604954217 /nfs/dbraw/zinc/95/42/17/604954217.db2.gz MUTCIAHYJYMXJL-SNVBAGLBSA-N -1 3 281.312 2.164 20 5 CEBDHM C/C(=C\CN[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000833385751 605203842 /nfs/dbraw/zinc/20/38/42/605203842.db2.gz UDJXSVGSJBBBIC-PCYYEKQGSA-N -1 3 264.281 2.276 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000823635501 635239019 /nfs/dbraw/zinc/23/90/19/635239019.db2.gz YNPFXLOXJAYGRM-ZZXKWVIFSA-N -1 3 294.274 2.340 20 5 CEBDHM O=[N+]([O-])c1ccc(C=Cc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823635501 635239029 /nfs/dbraw/zinc/23/90/29/635239029.db2.gz YNPFXLOXJAYGRM-ZZXKWVIFSA-N -1 3 294.274 2.340 20 5 CEBDHM CCCO[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000844079968 640596832 /nfs/dbraw/zinc/59/68/32/640596832.db2.gz FCQBNXKZABTHQW-UHFFFAOYSA-N -1 3 281.312 2.245 20 5 CEBDHM O=c1[n-]ccc(NC[C@@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000884681962 652967406 /nfs/dbraw/zinc/96/74/06/652967406.db2.gz KZZLXPYRLPDLJH-JTQLQIEISA-N -1 3 293.323 2.457 20 5 CEBDHM CCC(CC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000048664405 343531921 /nfs/dbraw/zinc/53/19/21/343531921.db2.gz YKOYPSOLUHTTKS-UHFFFAOYSA-N -1 3 286.353 2.370 20 5 CEBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCC1CC1 ZINC000076297690 343887246 /nfs/dbraw/zinc/88/72/46/343887246.db2.gz RNKFWGUXFYPMAE-UHFFFAOYSA-N -1 3 298.364 2.372 20 5 CEBDHM CC(C)n1cnc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000593230192 345455706 /nfs/dbraw/zinc/45/57/06/345455706.db2.gz QIUPQVVNNICXFY-UHFFFAOYSA-N -1 3 281.297 2.081 20 5 CEBDHM CC1(C)CC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595387150 345772586 /nfs/dbraw/zinc/77/25/86/345772586.db2.gz ABSHDADHUGWGBC-UHFFFAOYSA-N -1 3 284.337 2.062 20 5 CEBDHM O=c1[n-]ccc(N2CC=C(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000596175755 345960418 /nfs/dbraw/zinc/96/04/18/345960418.db2.gz SOICGCJMNSVIRK-UHFFFAOYSA-N -1 3 289.213 2.394 20 5 CEBDHM CCc1nc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC000596091092 345937891 /nfs/dbraw/zinc/93/78/91/345937891.db2.gz HMHNMQIFXLUWOQ-UHFFFAOYSA-N -1 3 294.336 2.351 20 5 CEBDHM O=c1[n-]ccc(NC2CCSCC2)c1[N+](=O)[O-] ZINC000596102947 345939899 /nfs/dbraw/zinc/93/98/99/345939899.db2.gz FKPLMEAXUUTICC-UHFFFAOYSA-N -1 3 255.299 2.003 20 5 CEBDHM O=c1[n-]ccc(N2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000596140730 345949853 /nfs/dbraw/zinc/94/98/53/345949853.db2.gz GZFCURADTTVJDS-UHFFFAOYSA-N -1 3 291.229 2.474 20 5 CEBDHM CO[C@@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596217337 345972392 /nfs/dbraw/zinc/97/23/92/345972392.db2.gz JPOWWLNAVOIPFN-ZDUSSCGKSA-N -1 3 281.312 2.091 20 5 CEBDHM CC1(C)CCC[C@@]1(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596244362 345978985 /nfs/dbraw/zinc/97/89/85/345978985.db2.gz PQJZSMGHHFUDFT-CYBMUJFWSA-N -1 3 281.312 2.049 20 5 CEBDHM C[C@@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000596250546 345980569 /nfs/dbraw/zinc/98/05/69/345980569.db2.gz FNYOTKMJXBIMIF-LMCGPQHNSA-N -1 3 287.319 2.344 20 5 CEBDHM Cc1cccnc1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596253803 345981650 /nfs/dbraw/zinc/98/16/50/345981650.db2.gz DXVYQURAUJTJIG-UHFFFAOYSA-N -1 3 288.307 2.444 20 5 CEBDHM O=c1[n-]ccc(N2CC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000596191792 345966058 /nfs/dbraw/zinc/96/60/58/345966058.db2.gz GEOKLRGLFDRBTM-UHFFFAOYSA-N -1 3 263.297 2.466 20 5 CEBDHM CCC(C)(C)OC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599135997 346465134 /nfs/dbraw/zinc/46/51/34/346465134.db2.gz AGVAPVCBZYIISC-UHFFFAOYSA-N -1 3 281.312 2.089 20 5 CEBDHM C/C=C/C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000599474964 346525553 /nfs/dbraw/zinc/52/55/53/346525553.db2.gz FJKUPOOGGGXSLF-SNAWJCMRSA-N -1 3 284.337 2.066 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000086780095 179330409 /nfs/dbraw/zinc/33/04/09/179330409.db2.gz QDSDIQJAWRKWQH-QMTHXVAHSA-N -1 3 278.308 2.452 20 5 CEBDHM Cc1c([N-]S(=O)(=O)CCC2CC2)cccc1[N+](=O)[O-] ZINC000271261931 191035845 /nfs/dbraw/zinc/03/58/45/191035845.db2.gz IVXYPFPONZVSEO-UHFFFAOYSA-N -1 3 284.337 2.445 20 5 CEBDHM C[C@@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000570051798 299234030 /nfs/dbraw/zinc/23/40/30/299234030.db2.gz WJTUMCVSDOBNCK-JTQLQIEISA-N -1 3 278.308 2.280 20 5 CEBDHM COc1cc(C(=O)[N-]OC2CCCC2)c([N+](=O)[O-])cc1F ZINC000297517352 200216533 /nfs/dbraw/zinc/21/65/33/200216533.db2.gz OGVWNZACSYDBJE-UHFFFAOYSA-N -1 3 298.270 2.347 20 5 CEBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C)no1 ZINC000012871248 361404764 /nfs/dbraw/zinc/40/47/64/361404764.db2.gz HNHFIAXIENGXKB-UHFFFAOYSA-N -1 3 277.236 2.152 20 5 CEBDHM Cc1sc(S(=O)(=O)[N-]CC2(C)CC2)cc1[N+](=O)[O-] ZINC000342511933 216379260 /nfs/dbraw/zinc/37/92/60/216379260.db2.gz JUUBMKKVLKGCPY-UHFFFAOYSA-N -1 3 290.366 2.043 20 5 CEBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)[O-])C1 ZINC000086729002 363839448 /nfs/dbraw/zinc/83/94/48/363839448.db2.gz CPQJMOOYAGNRMN-PWSUYJOCSA-N -1 3 278.308 2.452 20 5 CEBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)C)c1C ZINC000119268047 365245577 /nfs/dbraw/zinc/24/55/77/365245577.db2.gz QROQTSFJZKRWCY-UHFFFAOYSA-N -1 3 286.353 2.146 20 5 CEBDHM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000120898822 365491859 /nfs/dbraw/zinc/49/18/59/365491859.db2.gz WIDAMCKMKWRULN-UHFFFAOYSA-N -1 3 290.279 2.409 20 5 CEBDHM COC(=O)c1coc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000183823190 368651809 /nfs/dbraw/zinc/65/18/09/368651809.db2.gz XILBOKQQKYFJGA-UHFFFAOYSA-N -1 3 290.231 2.227 20 5 CEBDHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000358363025 371033761 /nfs/dbraw/zinc/03/37/61/371033761.db2.gz XLDYNVPWTCXIKG-UHFFFAOYSA-N -1 3 285.210 2.144 20 5 CEBDHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416543968 376088927 /nfs/dbraw/zinc/08/89/27/376088927.db2.gz FOWNLSQVHXFQCN-CHWSQXEVSA-N -1 3 298.364 2.308 20 5 CEBDHM CC(C)CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330412540 377120651 /nfs/dbraw/zinc/12/06/51/377120651.db2.gz BGTKSCZWBKVPBQ-UHFFFAOYSA-N -1 3 293.367 2.074 20 5 CEBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]OC1CCC1 ZINC000492964294 380745645 /nfs/dbraw/zinc/74/56/45/380745645.db2.gz RTTWGWMNGOSMFS-RMKNXTFCSA-N -1 3 262.265 2.208 20 5 CEBDHM CCc1ccc(C(=O)[N-]c2nc(C)no2)cc1[N+](=O)[O-] ZINC000174117435 395120666 /nfs/dbraw/zinc/12/06/66/395120666.db2.gz OHEIZEOUTVNFSZ-UHFFFAOYSA-N -1 3 276.252 2.101 20 5 CEBDHM CCC(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192232870 395376804 /nfs/dbraw/zinc/37/68/04/395376804.db2.gz FOANZURPWNHSMZ-UHFFFAOYSA-N -1 3 286.353 2.309 20 5 CEBDHM Cc1cc([N-]C(=O)COc2c(F)cccc2[N+](=O)[O-])on1 ZINC000194615905 395443225 /nfs/dbraw/zinc/44/32/25/395443225.db2.gz WHKFPOHMPVCPOS-UHFFFAOYSA-N -1 3 295.226 2.048 20 5 CEBDHM O=C([O-])[C@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000568732649 395568618 /nfs/dbraw/zinc/56/86/18/395568618.db2.gz KAOWZRWEGLVHCN-ACVFHECNSA-N -1 3 276.292 2.157 20 5 CEBDHM C[C@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000339082846 278567288 /nfs/dbraw/zinc/56/72/88/278567288.db2.gz KPUYFJLCZNRCLV-GJZGRUSLSA-N -1 3 292.335 2.348 20 5 CEBDHM CCN(CC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444728 520379164 /nfs/dbraw/zinc/37/91/64/520379164.db2.gz QSVHMFBHBUHJBO-UHFFFAOYSA-N -1 3 272.688 2.155 20 5 CEBDHM CCN(CCC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000829705369 601312511 /nfs/dbraw/zinc/31/25/11/601312511.db2.gz SRMBSAJFENIPII-UHFFFAOYSA-N -1 3 293.279 2.033 20 5 CEBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC000820726950 606423723 /nfs/dbraw/zinc/42/37/23/606423723.db2.gz DORHUMZJCSEHME-BDAKNGLRSA-N -1 3 288.311 2.010 20 5 CEBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC000820726950 606423724 /nfs/dbraw/zinc/42/37/24/606423724.db2.gz DORHUMZJCSEHME-BDAKNGLRSA-N -1 3 288.311 2.010 20 5 CEBDHM COc1c([O-])ccc(CN2CC[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000895726611 630316931 /nfs/dbraw/zinc/31/69/31/630316931.db2.gz BGTJVSNHGFOYTJ-QMMMGPOBSA-N -1 3 288.250 2.148 20 5 CEBDHM C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000848638867 642084862 /nfs/dbraw/zinc/08/48/62/642084862.db2.gz XCRVMWMIJFRCHC-SSDOTTSWSA-N -1 3 272.688 2.059 20 5 CEBDHM O=c1[n-]ccc(N[C@@H](C2CCC2)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000866140144 647626772 /nfs/dbraw/zinc/62/67/72/647626772.db2.gz AIWRFAITTXYBBP-PWSUYJOCSA-N -1 3 293.323 2.313 20 5 CEBDHM