smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600368911 342159773 /nfs/dbraw/zinc/15/97/73/342159773.db2.gz ZBZYXROAGXGHRT-YPMHNXCESA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593288426 342784593 /nfs/dbraw/zinc/78/45/93/342784593.db2.gz JSLHJHGOLSXDIX-ONGXEEELSA-N 0 2 294.307 1.843 10 5 CDBELN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593288426 342784594 /nfs/dbraw/zinc/78/45/94/342784594.db2.gz JSLHJHGOLSXDIX-ONGXEEELSA-N 0 2 294.307 1.843 10 5 CDBELN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593816166 342838546 /nfs/dbraw/zinc/83/85/46/342838546.db2.gz SQJDFNYXLZAZTK-JTQLQIEISA-N 0 2 294.307 1.942 10 5 CDBELN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnoc1 ZINC000619467231 349735198 /nfs/dbraw/zinc/73/51/98/349735198.db2.gz VAMQMABKHNLPQT-UHFFFAOYSA-N 0 2 299.264 1.392 10 5 CDBELN C[C@@H](CO)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000126905124 187269965 /nfs/dbraw/zinc/26/99/65/187269965.db2.gz LCYFWMVNXHXKOQ-JGVFFNPUSA-N 0 2 268.269 1.047 10 5 CDBELN CO[C@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000291892452 198098476 /nfs/dbraw/zinc/09/84/76/198098476.db2.gz OYZWHSOYQMHLDC-HTQZYQBOSA-N 0 2 268.269 1.454 10 5 CDBELN O=C(NCCCn1cccn1)c1cccc(O)c1[N+](=O)[O-] ZINC000341254511 357211533 /nfs/dbraw/zinc/21/15/33/357211533.db2.gz FPTWBFDIAMVPJC-UHFFFAOYSA-N 0 2 290.279 1.317 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCOC1 ZINC000436655083 359067147 /nfs/dbraw/zinc/06/71/47/359067147.db2.gz HRYSLYSMTZUQAD-SNVBAGLBSA-N 0 2 280.280 1.551 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000183901564 189370815 /nfs/dbraw/zinc/37/08/15/189370815.db2.gz PZRIWHMDRKMBNW-SSDOTTSWSA-N 0 2 252.226 1.275 10 5 CDBELN CC(C)[C@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281023422 195073615 /nfs/dbraw/zinc/07/36/15/195073615.db2.gz OOOIZWWFGKLTFJ-SNVBAGLBSA-N 0 2 268.269 1.047 10 5 CDBELN COCCN(CCOC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234631976 140230308 /nfs/dbraw/zinc/23/03/08/140230308.db2.gz AMPWLKANMVYOHF-UHFFFAOYSA-N 0 2 298.295 1.035 10 5 CDBELN COC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000234587649 292168185 /nfs/dbraw/zinc/16/81/85/292168185.db2.gz XIQSEHYJGRSKEY-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN C[C@H](O)CC(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346366804 153156138 /nfs/dbraw/zinc/15/61/38/153156138.db2.gz HXPQWCJRPIEMML-VIFPVBQESA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000235326174 296914675 /nfs/dbraw/zinc/91/46/75/296914675.db2.gz QQKHDVVSULFZPI-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428077059 303911542 /nfs/dbraw/zinc/91/15/42/303911542.db2.gz DOLIHAJBTSHFLZ-BZBKMWRSSA-N 0 2 262.265 1.829 10 5 CDBELN O=[N+]([O-])c1ccc(-c2nc(-c3ncc[nH]3)no2)cc1O ZINC000350539741 316173487 /nfs/dbraw/zinc/17/34/87/316173487.db2.gz OQOLWUWGOSSKQY-UHFFFAOYSA-N 0 2 273.208 1.741 10 5 CDBELN CNc1ccc(S(=O)(=O)Nc2cnoc2)cc1[N+](=O)[O-] ZINC000061685940 522636341 /nfs/dbraw/zinc/63/63/41/522636341.db2.gz BVKIIBOWMVZBLM-UHFFFAOYSA-N 0 2 298.280 1.425 10 5 CDBELN O=C(Nc1cc(F)cc(F)c1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840462044 678893986 /nfs/dbraw/zinc/89/39/86/678893986.db2.gz OMJFWVNZJPFDED-SVGQVSJJSA-N 0 2 260.171 1.708 10 5 CDBELN CCn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001625160323 1165890280 /nfs/dbraw/zinc/89/02/80/1165890280.db2.gz GCMJBHNGISXPPN-UHFFFAOYSA-N 0 2 290.279 1.447 10 5 CDBELN Cc1ccc([N+](=O)[O-])c(C(=O)NN2CCOC2=O)c1C ZINC001645478810 1167406616 /nfs/dbraw/zinc/40/66/16/1167406616.db2.gz SAMQZDVTZUZEHC-UHFFFAOYSA-N 0 2 279.252 1.309 10 5 CDBELN CC(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)[nH]1 ZINC001115963552 937425179 /nfs/dbraw/zinc/42/51/79/937425179.db2.gz VRZQNWGCKLKDBE-UHFFFAOYSA-N 0 2 265.229 1.682 10 5 CDBELN CC(C)c1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC001115963552 937425180 /nfs/dbraw/zinc/42/51/80/937425180.db2.gz VRZQNWGCKLKDBE-UHFFFAOYSA-N 0 2 265.229 1.682 10 5 CDBELN CC1(F)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000586816474 342471799 /nfs/dbraw/zinc/47/17/99/342471799.db2.gz RBJOIXTWODXEEC-UHFFFAOYSA-N 0 2 254.217 1.484 10 5 CDBELN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000600522156 342229825 /nfs/dbraw/zinc/22/98/25/342229825.db2.gz MSBHSSJDSJKYRL-ZANVPECISA-N 0 2 292.291 1.598 10 5 CDBELN C[C@@]12COC[C@H]1CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000598225103 343737924 /nfs/dbraw/zinc/73/79/24/343737924.db2.gz LKXXTBSZKBNOFR-YMTOWFKASA-N 0 2 292.291 1.409 10 5 CDBELN O=C(NC[C@H](CO)CC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598293930 343757537 /nfs/dbraw/zinc/75/75/37/343757537.db2.gz WBJVZIKUXFWGLL-SNVBAGLBSA-N 0 2 294.307 1.439 10 5 CDBELN O=C(NCc1ncccc1O)c1ccc([N+](=O)[O-])cc1O ZINC000437007092 362253515 /nfs/dbraw/zinc/25/35/15/362253515.db2.gz ZVDQNUSXYJCVBY-UHFFFAOYSA-N 0 2 289.247 1.331 10 5 CDBELN COC1CC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000599750983 344135656 /nfs/dbraw/zinc/13/56/56/344135656.db2.gz PBHYFBAOCQJTBY-UHFFFAOYSA-N 0 2 266.253 1.664 10 5 CDBELN CC(C)(F)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000601687428 344224475 /nfs/dbraw/zinc/22/44/75/344224475.db2.gz BAXGLWWFHFJBAH-UHFFFAOYSA-N 0 2 256.233 1.778 10 5 CDBELN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000601965680 344298323 /nfs/dbraw/zinc/29/83/23/344298323.db2.gz XWOHQUWGJDOUMU-TXEJJXNPSA-N 0 2 292.291 1.656 10 5 CDBELN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000601965680 344298326 /nfs/dbraw/zinc/29/83/26/344298326.db2.gz XWOHQUWGJDOUMU-TXEJJXNPSA-N 0 2 292.291 1.656 10 5 CDBELN C[C@@H]1SCC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000311831052 350723432 /nfs/dbraw/zinc/72/34/32/350723432.db2.gz GGBBFINGMDWXIZ-OIBJUYFYSA-N 0 2 282.321 1.924 10 5 CDBELN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](C)O1 ZINC000194738253 363055789 /nfs/dbraw/zinc/05/57/89/363055789.db2.gz HDNVMWFBTJJCDY-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(COC[C@@H]1CCCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000541586527 358413410 /nfs/dbraw/zinc/41/34/10/358413410.db2.gz YRKOUMOVFSTCAR-JTQLQIEISA-N 0 2 296.279 1.435 10 5 CDBELN C[C@@H]1C[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000412650855 358822875 /nfs/dbraw/zinc/82/28/75/358822875.db2.gz KTUSZMZXMGKUID-KXUCPTDWSA-N 0 2 294.307 1.844 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nc(C)n1 ZINC000436619000 358879548 /nfs/dbraw/zinc/87/95/48/358879548.db2.gz NKSQKWLYPCVWHM-UHFFFAOYSA-N 0 2 288.263 1.960 10 5 CDBELN CN(Cc1cc[nH]n1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352974975 359038965 /nfs/dbraw/zinc/03/89/65/359038965.db2.gz SISVYQAZSOFZLT-UHFFFAOYSA-N 0 2 276.252 1.296 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000183898232 189371008 /nfs/dbraw/zinc/37/10/08/189371008.db2.gz RLLGTMYREXGJTM-UHFFFAOYSA-N 0 2 266.253 1.666 10 5 CDBELN CN(CCCCO)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000276533986 193371094 /nfs/dbraw/zinc/37/10/94/193371094.db2.gz ZAECUZHDSQFGFF-UHFFFAOYSA-N 0 2 268.269 1.145 10 5 CDBELN C[C@H]1C[C@H](O)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000401843895 390548094 /nfs/dbraw/zinc/54/80/94/390548094.db2.gz IUKHHXWVPSWCEB-WPRPVWTQSA-N 0 2 280.280 1.143 10 5 CDBELN O=C(CCn1cccn1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000346651760 153258286 /nfs/dbraw/zinc/25/82/86/153258286.db2.gz HVOYBNPSWUQPIR-UHFFFAOYSA-N 0 2 276.252 1.526 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000346818057 153311232 /nfs/dbraw/zinc/31/12/32/153311232.db2.gz CPUAOAMASJAZBL-HTQZYQBOSA-N 0 2 268.269 1.047 10 5 CDBELN CCOC(=O)[C@@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353998921 156215186 /nfs/dbraw/zinc/21/51/86/156215186.db2.gz YXPGSJRQRCOATI-QMMMGPOBSA-N 0 2 296.279 1.229 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000357399527 157742668 /nfs/dbraw/zinc/74/26/68/157742668.db2.gz BJGOTGYCJJMMSQ-AXTRIDKLSA-N 0 2 278.264 1.664 10 5 CDBELN CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000358852448 158051754 /nfs/dbraw/zinc/05/17/54/158051754.db2.gz NKEDHOARAIOQNO-QMMMGPOBSA-N 0 2 268.269 1.143 10 5 CDBELN C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000359832754 158392968 /nfs/dbraw/zinc/39/29/68/158392968.db2.gz MDVNRUZOVFUZNK-OTYXRUKQSA-N 0 2 294.307 1.581 10 5 CDBELN CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1c(F)cccc1F ZINC000044979884 175283267 /nfs/dbraw/zinc/28/32/67/175283267.db2.gz CKBQWMILLAEJCQ-MUWHJKNJSA-N 0 2 256.208 1.593 10 5 CDBELN O=c1cc[nH]cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071221723 176087671 /nfs/dbraw/zinc/08/76/71/176087671.db2.gz ZDLIMEZUCDKKQX-UHFFFAOYSA-N 0 2 295.276 1.084 10 5 CDBELN Cc1cc(Sc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000192750497 227280837 /nfs/dbraw/zinc/28/08/37/227280837.db2.gz NRAWAWPYZHJDIJ-UHFFFAOYSA-N 0 2 252.255 1.878 10 5 CDBELN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c[nH]c1=O ZINC000552122665 290052399 /nfs/dbraw/zinc/05/23/99/290052399.db2.gz IDFXJDOTZMAFGU-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H]1CO ZINC000295245505 299960211 /nfs/dbraw/zinc/96/02/11/299960211.db2.gz PXABCQLVLAVXMN-WPRPVWTQSA-N 0 2 280.280 1.143 10 5 CDBELN CC(C)C[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000797229671 682625442 /nfs/dbraw/zinc/62/54/42/682625442.db2.gz BNHCYMBJTXHUIB-SNVBAGLBSA-N 0 2 282.296 1.437 10 5 CDBELN CC1(C)C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C(=O)O1 ZINC000802851365 683885935 /nfs/dbraw/zinc/88/59/35/683885935.db2.gz PJUPSRGQZIROHB-VIFPVBQESA-N 0 2 294.263 1.124 10 5 CDBELN O=C(N[C@H]1CCn2c[nH+]cc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001634085373 1166468797 /nfs/dbraw/zinc/46/87/97/1166468797.db2.gz XDOMVYGKLINKMG-VIFPVBQESA-N 0 2 288.263 1.372 10 5 CDBELN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ncon1 ZINC001635654864 1166608109 /nfs/dbraw/zinc/60/81/09/1166608109.db2.gz CKJLYHXSXRKCSE-SSDOTTSWSA-N 0 2 292.251 1.217 10 5 CDBELN CCC(=O)c1ccc(NCC(=O)NOC)c([N+](=O)[O-])c1 ZINC001187783555 920676371 /nfs/dbraw/zinc/67/63/71/920676371.db2.gz QORDMCSYUJXBFG-UHFFFAOYSA-N 0 2 281.268 1.277 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccn1C ZINC001301631321 955965870 /nfs/dbraw/zinc/96/58/70/955965870.db2.gz AKUVYBGLJRWBPB-MRVPVSSYSA-N 0 2 290.279 1.525 10 5 CDBELN CC(C)(F)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601476649 342566102 /nfs/dbraw/zinc/56/61/02/342566102.db2.gz VAHHRSIRVJIIEO-UHFFFAOYSA-N 0 2 294.279 1.760 10 5 CDBELN COCCC1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000591785677 342646730 /nfs/dbraw/zinc/64/67/30/342646730.db2.gz MTAPRNNQKUEKHS-UHFFFAOYSA-N 0 2 280.280 1.409 10 5 CDBELN C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000593289541 342784722 /nfs/dbraw/zinc/78/47/22/342784722.db2.gz XWTFZDPVPQLEKF-NOZJJQNGSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000593289541 342784724 /nfs/dbraw/zinc/78/47/24/342784724.db2.gz XWTFZDPVPQLEKF-NOZJJQNGSA-N 0 2 294.307 1.986 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CC2(F)F)C1 ZINC000594388038 342893882 /nfs/dbraw/zinc/89/38/82/342893882.db2.gz HVVXFPKWUUIAJC-UHFFFAOYSA-N 0 2 284.218 1.782 10 5 CDBELN COCC1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000594397676 342895701 /nfs/dbraw/zinc/89/57/01/342895701.db2.gz LMJYCHKSYQEADX-UHFFFAOYSA-N 0 2 280.280 1.457 10 5 CDBELN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[NH2+]CCO1 ZINC000595892945 343182236 /nfs/dbraw/zinc/18/22/36/343182236.db2.gz SKZPHGFFGGSPCM-OAHLLOKOSA-N 0 2 293.367 1.794 10 5 CDBELN CC1(C)COCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000597621299 343579911 /nfs/dbraw/zinc/57/99/11/343579911.db2.gz XRLVQOCSTOFAFS-UHFFFAOYSA-N 0 2 266.253 1.509 10 5 CDBELN C[C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)O1 ZINC000598211425 343733557 /nfs/dbraw/zinc/73/35/57/343733557.db2.gz FGXVPMIYFKPGPQ-ONGXEEELSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1CO ZINC000598909658 343922475 /nfs/dbraw/zinc/92/24/75/343922475.db2.gz LHYFMCJPKJODKT-VHSXEESVSA-N 0 2 294.307 1.391 10 5 CDBELN CCO[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000233777847 356391557 /nfs/dbraw/zinc/39/15/57/356391557.db2.gz JPVIMTVJEOOSIQ-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN Cc1nn(C)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357967895 375942712 /nfs/dbraw/zinc/94/27/12/375942712.db2.gz ZJHMAHFSWSFQJX-UHFFFAOYSA-N 0 2 290.279 1.903 10 5 CDBELN CC[C@H](C)[C@@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281214088 195152469 /nfs/dbraw/zinc/15/24/69/195152469.db2.gz LVJXNEPEWAMNAZ-KWQFWETISA-N 0 2 282.296 1.437 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000217316735 390964563 /nfs/dbraw/zinc/96/45/63/390964563.db2.gz YEOWJMHRCWRXEV-QPUJVOFHSA-N 0 2 280.280 1.143 10 5 CDBELN CC[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000421962849 392949239 /nfs/dbraw/zinc/94/92/39/392949239.db2.gz HHYDSFFTWKUKTA-MWLCHTKSSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000281153927 393154475 /nfs/dbraw/zinc/15/44/75/393154475.db2.gz HQZHXMNMBQJSHE-MRVPVSSYSA-N 0 2 250.254 1.782 10 5 CDBELN CSC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316506 140162639 /nfs/dbraw/zinc/16/26/39/140162639.db2.gz PUNBFHXEYLGGJK-ZETCQYMHSA-N 0 2 270.310 1.782 10 5 CDBELN Cc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000235900034 140237844 /nfs/dbraw/zinc/23/78/44/140237844.db2.gz JUTNEMJVRHOLFA-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN O=C(Nc1nnc2ccccn21)c1cccc(O)c1[N+](=O)[O-] ZINC000362562389 159181413 /nfs/dbraw/zinc/18/14/13/159181413.db2.gz SLBKHEOCYJNQPY-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN CCOCCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316014 535570610 /nfs/dbraw/zinc/57/06/10/535570610.db2.gz BXZGBWKOPFWCRN-UHFFFAOYSA-N 0 2 268.269 1.409 10 5 CDBELN C[S@@](=O)(=NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000926028437 684475620 /nfs/dbraw/zinc/47/56/20/684475620.db2.gz ZYVBIAHLLVZNCU-MHNGPXOMSA-N 0 2 274.342 1.609 10 5 CDBELN C[S@@](=O)(=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000926028437 684475626 /nfs/dbraw/zinc/47/56/26/684475626.db2.gz ZYVBIAHLLVZNCU-MHNGPXOMSA-N 0 2 274.342 1.609 10 5 CDBELN Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(-c2ccco2)n1 ZINC000862857330 684713610 /nfs/dbraw/zinc/71/36/10/684713610.db2.gz MEUFVHCBIHJHTK-VXNVDRBHSA-N 0 2 276.252 1.284 10 5 CDBELN CCO[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000701823657 686008231 /nfs/dbraw/zinc/00/82/31/686008231.db2.gz FUIPSKVNSWNANI-JTQLQIEISA-N 0 2 280.280 1.551 10 5 CDBELN COc1nn(C)cc1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000788859175 687083236 /nfs/dbraw/zinc/08/32/36/687083236.db2.gz JLTHIAVCEJTDOK-UHFFFAOYSA-N 0 2 288.267 1.728 10 5 CDBELN O=C(N[C@@H]1CC12CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000721152575 687196324 /nfs/dbraw/zinc/19/63/24/687196324.db2.gz XRDWJNVHCFRNIJ-LLVKDONJSA-N 0 2 262.265 1.973 10 5 CDBELN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nn(C)cc1O ZINC001640025328 1166988094 /nfs/dbraw/zinc/98/80/94/1166988094.db2.gz JFPNEZAPHKGPSA-QMMMGPOBSA-N 0 2 290.279 1.525 10 5 CDBELN O=[N+]([O-])c1ccc(O)cc1CSc1c[nH]nn1 ZINC001651834241 1171364295 /nfs/dbraw/zinc/36/42/95/1171364295.db2.gz SKSNNOVACREGMH-UHFFFAOYSA-N 0 2 252.255 1.711 10 5 CDBELN O=[N+]([O-])c1ccc(O)cc1CSc1cn[nH]n1 ZINC001651834241 1171364302 /nfs/dbraw/zinc/36/43/02/1171364302.db2.gz SKSNNOVACREGMH-UHFFFAOYSA-N 0 2 252.255 1.711 10 5 CDBELN CC1(c2nc(=NC(=O)c3ccc([N+](=O)[O-])[nH]3)s[nH]2)CC1 ZINC000600227074 341987410 /nfs/dbraw/zinc/98/74/10/341987410.db2.gz IIATVHPOMMDJLS-UHFFFAOYSA-N 0 2 293.308 1.500 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600440224 342208963 /nfs/dbraw/zinc/20/89/63/342208963.db2.gz JOVPNWYGJATZQI-SREGZZRCSA-N 0 2 294.307 1.842 10 5 CDBELN COCC1(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000597941026 343673849 /nfs/dbraw/zinc/67/38/49/343673849.db2.gz ORPDFZZYFVTKGH-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000235918341 362329225 /nfs/dbraw/zinc/32/92/25/362329225.db2.gz DBTNAVJXPQXIBK-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN COC(=O)c1ccc(-c2noc([C@@H]3C[C@@H]3[N+](=O)[O-])n2)cc1 ZINC000075610047 346763703 /nfs/dbraw/zinc/76/37/03/346763703.db2.gz TUWJPKRBBUWBME-ZJUUUORDSA-N 0 2 289.247 1.656 10 5 CDBELN O=[N+]([O-])c1ccc(-c2nc(Cn3cccn3)no2)cc1O ZINC000358695281 356323998 /nfs/dbraw/zinc/32/39/98/356323998.db2.gz RGFGRYISDASMOT-UHFFFAOYSA-N 0 2 287.235 1.595 10 5 CDBELN COCCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000291145000 358884448 /nfs/dbraw/zinc/88/44/48/358884448.db2.gz GJSLCGWNHRENRD-UHFFFAOYSA-N 0 2 294.307 1.799 10 5 CDBELN C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654363 359660246 /nfs/dbraw/zinc/66/02/46/359660246.db2.gz XOGJZAROHDSEAO-YPMHNXCESA-N 0 2 293.367 1.701 10 5 CDBELN CO[C@@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000291793751 239235319 /nfs/dbraw/zinc/23/53/19/239235319.db2.gz AFICANBSCXKQIC-SFYZADRCSA-N 0 2 268.269 1.454 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](CF)C1 ZINC000412545258 240271496 /nfs/dbraw/zinc/27/14/96/240271496.db2.gz CVXCHYXTPUVIFK-VIFPVBQESA-N 0 2 284.243 1.111 10 5 CDBELN C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)O1 ZINC000413993719 241010577 /nfs/dbraw/zinc/01/05/77/241010577.db2.gz RNDGXDIUSHUFAB-UTLUCORTSA-N 0 2 294.307 1.844 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N(C1CC1)C1COC1 ZINC000295706878 370581436 /nfs/dbraw/zinc/58/14/36/370581436.db2.gz JLZDSWNCNJLJFE-UHFFFAOYSA-N 0 2 278.264 1.304 10 5 CDBELN CC(C)OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275084424 374689381 /nfs/dbraw/zinc/68/93/81/374689381.db2.gz GFUHBEHOLSQDSX-UHFFFAOYSA-N 0 2 254.242 1.664 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)[C@@H](C)O1 ZINC000438420577 392076476 /nfs/dbraw/zinc/07/64/76/392076476.db2.gz WUVIDDSDFZZCGS-KXUCPTDWSA-N 0 2 294.307 1.938 10 5 CDBELN O=C(NCCCOCC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000227876610 140188305 /nfs/dbraw/zinc/18/83/05/140188305.db2.gz UNWFEQQZRJDZCE-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN O=C(NC[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359777341 158372759 /nfs/dbraw/zinc/37/27/59/158372759.db2.gz HDRPZUVOKCRFDS-SNVBAGLBSA-N 0 2 280.280 1.049 10 5 CDBELN C[C@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000408055472 300815651 /nfs/dbraw/zinc/81/56/51/300815651.db2.gz UPDXUVCNOAVABC-LBPRGKRZSA-N 0 2 268.244 1.875 10 5 CDBELN CCC[C@H](C)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000569584578 316808334 /nfs/dbraw/zinc/80/83/34/316808334.db2.gz XQNXVTYIDVHOLG-CABZTGNLSA-N 0 2 296.323 1.827 10 5 CDBELN CCn1c(C)nc([N+](=O)[O-])c1Sc1n[nH]c(=O)[nH]1 ZINC000340855791 523146135 /nfs/dbraw/zinc/14/61/35/523146135.db2.gz MGLXNKHRFOVOSF-UHFFFAOYSA-N 0 2 270.274 1.095 10 5 CDBELN O=C(NC[C@@H]1C=CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000711739123 693873076 /nfs/dbraw/zinc/87/30/76/693873076.db2.gz ZWGJLHIPDONAKT-SECBINFHSA-N 0 2 262.265 1.996 10 5 CDBELN CC1(C)OCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CO1 ZINC000803105508 688808247 /nfs/dbraw/zinc/80/82/47/688808247.db2.gz MQDUUZSWQMYVML-UHFFFAOYSA-N 0 2 296.279 1.182 10 5 CDBELN Cc1cc2c(cc1C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000839764225 694490528 /nfs/dbraw/zinc/49/05/28/694490528.db2.gz YYJOGJIAOVMMST-DGCLKSJQSA-N 0 2 260.293 1.858 10 5 CDBELN Cc1cccn2c(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cnc12 ZINC000855903279 693307816 /nfs/dbraw/zinc/30/78/16/693307816.db2.gz VUDLTNDNAJNBKZ-RKDXNWHRSA-N 0 2 260.253 1.246 10 5 CDBELN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ncn1 ZINC000586801585 342469836 /nfs/dbraw/zinc/46/98/36/342469836.db2.gz VQDJUPGRZTZOPR-UHFFFAOYSA-N 0 2 288.263 1.329 10 5 CDBELN C[C@@H](CCO)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593878963 342844021 /nfs/dbraw/zinc/84/40/21/342844021.db2.gz BGOYFKDOHSLAJU-QMMMGPOBSA-N 0 2 268.269 1.143 10 5 CDBELN CCC[C@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295007382 199296505 /nfs/dbraw/zinc/29/65/05/199296505.db2.gz BFLJXODZQGQKMZ-QMMMGPOBSA-N 0 2 268.269 1.191 10 5 CDBELN CC1(C)OCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000598454300 343803512 /nfs/dbraw/zinc/80/35/12/343803512.db2.gz MDNMTQXQYKJYRM-VIFPVBQESA-N 0 2 294.307 1.845 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000598786163 343898480 /nfs/dbraw/zinc/89/84/80/343898480.db2.gz RWKKSVLNEWVVDD-ZJUUUORDSA-N 0 2 294.307 1.391 10 5 CDBELN COCC[S@@](=O)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000083980900 178768920 /nfs/dbraw/zinc/76/89/20/178768920.db2.gz AKSSAOLLYNWPDA-SFHVURJKSA-N 0 2 271.294 1.173 10 5 CDBELN C[C@@H]1OCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H]1C ZINC000283562784 357574346 /nfs/dbraw/zinc/57/43/46/357574346.db2.gz VTWWGSRSDKUCCH-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN CO[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191455082 358133194 /nfs/dbraw/zinc/13/31/94/358133194.db2.gz OVGXWGZNVSQVGS-YUMQZZPRSA-N 0 2 268.269 1.454 10 5 CDBELN COCC[C@H](COC)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436601720 358827060 /nfs/dbraw/zinc/82/70/60/358827060.db2.gz DJFXVKSXDRKLFI-SECBINFHSA-N 0 2 298.295 1.082 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCCO1 ZINC000408409786 359747783 /nfs/dbraw/zinc/74/77/83/359747783.db2.gz DFUFLCUNGARAKZ-UHFFFAOYSA-N 0 2 266.253 1.858 10 5 CDBELN CN(Cc1cc[nH]n1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000351840363 369919246 /nfs/dbraw/zinc/91/92/46/369919246.db2.gz FDZQNVIJXLMBFE-UHFFFAOYSA-N 0 2 276.252 1.296 10 5 CDBELN NC(=O)c1c(O)cc(Br)cc1[N+](=O)[O-] ZINC000575690794 373866348 /nfs/dbraw/zinc/86/63/48/373866348.db2.gz BJEKVIBXYVNDGU-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN COC[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280805537 375024515 /nfs/dbraw/zinc/02/45/15/375024515.db2.gz PXYBDVJNPAFZRV-SNVBAGLBSA-N 0 2 294.307 1.799 10 5 CDBELN O=C(NCc1cccnc1)c1cccc(O)c1[N+](=O)[O-] ZINC000350780446 375243574 /nfs/dbraw/zinc/24/35/74/375243574.db2.gz GIJYPWLYKJKSSE-UHFFFAOYSA-N 0 2 273.248 1.625 10 5 CDBELN CCCN(CCO)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000294181591 375722883 /nfs/dbraw/zinc/72/28/83/375722883.db2.gz AOGZSQHWOHXVLD-UHFFFAOYSA-N 0 2 268.269 1.145 10 5 CDBELN C[C@@H](CO)[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280959896 195047004 /nfs/dbraw/zinc/04/70/04/195047004.db2.gz JQRJWPMEDIEDTE-YUMQZZPRSA-N 0 2 268.269 1.047 10 5 CDBELN Cc1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000353768825 156071605 /nfs/dbraw/zinc/07/16/05/156071605.db2.gz QFMQAYSWSBCRMB-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@@H]2C[C@H]1CS2 ZINC000458335719 304505439 /nfs/dbraw/zinc/50/54/39/304505439.db2.gz QREAHKGMTGSFMO-IUCAKERBSA-N 0 2 280.305 1.630 10 5 CDBELN CO[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316848 294520562 /nfs/dbraw/zinc/52/05/62/294520562.db2.gz SFODYXIIGBKQGU-JTQLQIEISA-N 0 2 280.280 1.551 10 5 CDBELN CO[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000217316845 294573127 /nfs/dbraw/zinc/57/31/27/294573127.db2.gz OKEPLPSXTJHMFP-RNCFNFMXSA-N 0 2 294.307 1.797 10 5 CDBELN C[C@@H](C1CC1)n1nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840312576 724012772 /nfs/dbraw/zinc/01/27/72/724012772.db2.gz NCQLPGGDPGTQFB-FXBDTBDDSA-N 0 2 264.285 1.458 10 5 CDBELN O=C(NC[C@H](O)c1ccco1)c1cc(O)ccc1[N+](=O)[O-] ZINC000797218923 724500220 /nfs/dbraw/zinc/50/02/20/724500220.db2.gz FHBPUPSDTJVHEN-NSHDSACASA-N 0 2 292.247 1.357 10 5 CDBELN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000839722470 725968400 /nfs/dbraw/zinc/96/84/00/725968400.db2.gz HQNFBLMLEJHJIL-JMJZKYOTSA-N 0 2 278.312 1.766 10 5 CDBELN CSc1cccnc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001644410081 1167313665 /nfs/dbraw/zinc/31/36/65/1167313665.db2.gz KNSLEOQPZMUHJJ-UHFFFAOYSA-N 0 2 293.308 1.698 10 5 CDBELN Cn1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C(F)(F)F ZINC001522507835 970459637 /nfs/dbraw/zinc/45/96/37/970459637.db2.gz STSBJRWADUYXII-INEUFUBQSA-N 0 2 278.190 1.043 10 5 CDBELN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]n1 ZINC000586780874 342469031 /nfs/dbraw/zinc/46/90/31/342469031.db2.gz CCQDLJNHHWDHBA-UHFFFAOYSA-N 0 2 276.252 1.262 10 5 CDBELN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n[nH]1 ZINC000586780874 342469032 /nfs/dbraw/zinc/46/90/32/342469032.db2.gz CCQDLJNHHWDHBA-UHFFFAOYSA-N 0 2 276.252 1.262 10 5 CDBELN COCCC1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000591783884 342646528 /nfs/dbraw/zinc/64/65/28/342646528.db2.gz KDPTZTIUMPMHRS-UHFFFAOYSA-N 0 2 280.280 1.409 10 5 CDBELN CCCC[C@@](C)(CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592852844 342737022 /nfs/dbraw/zinc/73/70/22/342737022.db2.gz JAOQNXCGDIMUKU-AWEZNQCLSA-N 0 2 296.323 1.971 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000598035996 343701296 /nfs/dbraw/zinc/70/12/96/343701296.db2.gz HCCDLRSXFLMXTN-MRVPVSSYSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc([N+](=O)[O-])ccc1O ZINC000598312787 343763900 /nfs/dbraw/zinc/76/39/00/343763900.db2.gz SAKZOQIPNFQDSN-VXGBXAGGSA-N 0 2 292.291 1.334 10 5 CDBELN CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000598569572 343832371 /nfs/dbraw/zinc/83/23/71/343832371.db2.gz DBOQNBBWCRQQAE-UHFFFAOYSA-N 0 2 262.265 1.925 10 5 CDBELN COC(=O)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273294822 192102956 /nfs/dbraw/zinc/10/29/56/192102956.db2.gz YQDSPCNDTBIQPH-UHFFFAOYSA-N 0 2 296.279 1.374 10 5 CDBELN CC(C)n1ccc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]1 ZINC000336845570 356374081 /nfs/dbraw/zinc/37/40/81/356374081.db2.gz BLKCLXFSRABUGU-UHFFFAOYSA-N 0 2 290.279 1.752 10 5 CDBELN COc1cc(Sc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1OC ZINC000337941165 358507759 /nfs/dbraw/zinc/50/77/59/358507759.db2.gz FQZBWPLIZZVCQX-UHFFFAOYSA-N 0 2 298.280 1.587 10 5 CDBELN C[C@@H](N(C)C(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)O ZINC000296967505 200048716 /nfs/dbraw/zinc/04/87/16/200048716.db2.gz PUXZKBRHADAMJC-MRVPVSSYSA-N 0 2 282.296 1.532 10 5 CDBELN Cc1cc(=O)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c[nH]1 ZINC000166172647 359726100 /nfs/dbraw/zinc/72/61/00/359726100.db2.gz CJGNOQKDQHQUGW-UHFFFAOYSA-N 0 2 289.247 1.549 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(=O)CC1 ZINC000330605228 203027834 /nfs/dbraw/zinc/02/78/34/203027834.db2.gz JNGRZWDVWCDUAI-UHFFFAOYSA-N 0 2 264.237 1.106 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(C1)CCCOC2 ZINC000377182379 374589864 /nfs/dbraw/zinc/58/98/64/374589864.db2.gz FOCYXJNPXPRLLU-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN O=C(NCC[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000028984819 375360455 /nfs/dbraw/zinc/36/04/55/375360455.db2.gz SMMYEASCYYASJC-SNVBAGLBSA-N 0 2 280.280 1.599 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[NH+](C2CC2)CC1 ZINC000133794713 375836313 /nfs/dbraw/zinc/83/63/13/375836313.db2.gz ZNEHGUHUDPMAAZ-UHFFFAOYSA-N 0 2 291.307 1.221 10 5 CDBELN COc1ccc(CSc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000446058827 250258812 /nfs/dbraw/zinc/25/88/12/250258812.db2.gz HBHPJALOSFWCID-UHFFFAOYSA-N 0 2 282.281 1.719 10 5 CDBELN O=C(NCC1=CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000452406877 252054428 /nfs/dbraw/zinc/05/44/28/252054428.db2.gz HOWLISFEWUBPJL-UHFFFAOYSA-N 0 2 278.264 1.377 10 5 CDBELN C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1CO ZINC000295245503 391054685 /nfs/dbraw/zinc/05/46/85/391054685.db2.gz PXABCQLVLAVXMN-WCBMZHEXSA-N 0 2 280.280 1.143 10 5 CDBELN C[C@H]1C[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000334009193 149298733 /nfs/dbraw/zinc/29/87/33/149298733.db2.gz XISGIMDGMYTPJR-VHSXEESVSA-N 0 2 294.307 1.845 10 5 CDBELN CC[C@@H](CCO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353934260 156169784 /nfs/dbraw/zinc/16/97/84/156169784.db2.gz PDEXODBTYFBRIW-VIFPVBQESA-N 0 2 282.296 1.439 10 5 CDBELN CN(Cc1cccn1C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354088632 156265280 /nfs/dbraw/zinc/26/52/80/156265280.db2.gz SHSDJSZPIWEUKV-UHFFFAOYSA-N 0 2 289.291 1.911 10 5 CDBELN CCC[N@H+](CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000038021431 174001334 /nfs/dbraw/zinc/00/13/34/174001334.db2.gz DUVFBTAVCFBHTF-UHFFFAOYSA-N 0 2 295.295 1.330 10 5 CDBELN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000038021431 174001336 /nfs/dbraw/zinc/00/13/36/174001336.db2.gz DUVFBTAVCFBHTF-UHFFFAOYSA-N 0 2 295.295 1.330 10 5 CDBELN COCCCCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000397134778 270346983 /nfs/dbraw/zinc/34/69/83/270346983.db2.gz USWVQEQXWKSSAW-UHFFFAOYSA-N 0 2 282.296 1.799 10 5 CDBELN CC1(C)COC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000456551196 281294802 /nfs/dbraw/zinc/29/48/02/281294802.db2.gz UBKFWJCKMRZWOB-LLVKDONJSA-N 0 2 280.280 1.455 10 5 CDBELN CC[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000421962851 288341664 /nfs/dbraw/zinc/34/16/64/288341664.db2.gz HHYDSFFTWKUKTA-ONGXEEELSA-N 0 2 294.307 1.988 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000341166415 288919374 /nfs/dbraw/zinc/91/93/74/288919374.db2.gz RCVXZIFOIBIKJX-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN C[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297052170 300686387 /nfs/dbraw/zinc/68/63/87/300686387.db2.gz VQXIOLZXQMQBOR-WPRPVWTQSA-N 0 2 280.280 1.286 10 5 CDBELN O=c1[nH][nH]c2cc(Br)cc([N+](=O)[O-])c12 ZINC000100229468 304798836 /nfs/dbraw/zinc/79/88/36/304798836.db2.gz AXDBVIHXQZOOOB-UHFFFAOYSA-N 0 2 258.031 1.939 10 5 CDBELN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881163 1166793882 /nfs/dbraw/zinc/79/38/82/1166793882.db2.gz DUHLFWZKBCDOPU-VSYUYLJXSA-N 0 2 280.280 1.910 10 5 CDBELN CCO[C@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H]1C ZINC001637881162 1166793980 /nfs/dbraw/zinc/79/39/80/1166793980.db2.gz DUHLFWZKBCDOPU-UPZJHPNMSA-N 0 2 280.280 1.910 10 5 CDBELN Cc1cc(C)nc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c1 ZINC000842494819 728307330 /nfs/dbraw/zinc/30/73/30/728307330.db2.gz DZNNFCFGWRBHBK-PSASIEDQSA-N 0 2 260.253 1.881 10 5 CDBELN Cc1ccc([S@](C)(=O)=NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001120700545 912364935 /nfs/dbraw/zinc/36/49/35/912364935.db2.gz QKUNHTOULSKJJX-BFKGZMGPSA-N 0 2 282.321 1.644 10 5 CDBELN Cc1ccc([S@](C)(=O)=NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001120700545 912364953 /nfs/dbraw/zinc/36/49/53/912364953.db2.gz QKUNHTOULSKJJX-BFKGZMGPSA-N 0 2 282.321 1.644 10 5 CDBELN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cnccn1 ZINC001556080768 964992748 /nfs/dbraw/zinc/99/27/48/964992748.db2.gz UFCMMJPECCBCLN-MRVPVSSYSA-N 0 2 288.263 1.833 10 5 CDBELN C[C@H](COCC1CC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593858524 342841420 /nfs/dbraw/zinc/84/14/20/342841420.db2.gz IFXQJFVVVDVZFZ-SECBINFHSA-N 0 2 294.307 1.845 10 5 CDBELN CO[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000600795711 342249483 /nfs/dbraw/zinc/24/94/83/342249483.db2.gz AGTZQRIGKWGIBD-WAAGHKOSSA-N 0 2 280.280 1.455 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2COC[C@H]2C1 ZINC000598396056 343778560 /nfs/dbraw/zinc/77/85/60/343778560.db2.gz QVPLKKFMBSOBJI-VHSXEESVSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(COCC(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000599713522 344129813 /nfs/dbraw/zinc/12/98/13/344129813.db2.gz JRTBVONEECANFK-UHFFFAOYSA-N 0 2 276.195 1.521 10 5 CDBELN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnoc1 ZINC000604542289 344899246 /nfs/dbraw/zinc/89/92/46/344899246.db2.gz KGCKMJKMXZELPL-UHFFFAOYSA-N 0 2 283.265 1.692 10 5 CDBELN O=C(N[C@H](CO)C1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000292028620 198138558 /nfs/dbraw/zinc/13/85/58/198138558.db2.gz PNSQEFAWMKZLBV-LLVKDONJSA-N 0 2 294.307 1.581 10 5 CDBELN CO[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1C ZINC000456129805 363674579 /nfs/dbraw/zinc/67/45/79/363674579.db2.gz AYOCBFADSUCKRJ-SKDRFNHKSA-N 0 2 294.307 1.797 10 5 CDBELN O=C(Nc1cccnc1)c1cccc(O)c1[N+](=O)[O-] ZINC000350802603 361174241 /nfs/dbraw/zinc/17/42/41/361174241.db2.gz OSMXZUWKIDHXJA-UHFFFAOYSA-N 0 2 259.221 1.948 10 5 CDBELN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1O ZINC000182122358 189314525 /nfs/dbraw/zinc/31/45/25/189314525.db2.gz UJOJCSHAWNHEKI-JOYOIKCWSA-N 0 2 294.307 1.581 10 5 CDBELN CC(C)C[C@H](C(N)=O)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000412241160 240108895 /nfs/dbraw/zinc/10/88/95/240108895.db2.gz HMYDTVLGSCDXRU-SECBINFHSA-N 0 2 295.295 1.387 10 5 CDBELN CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330750804 203189604 /nfs/dbraw/zinc/18/96/04/203189604.db2.gz BEOABQKQPXCGFP-NOZJJQNGSA-N 0 2 294.307 1.533 10 5 CDBELN CO[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOC1 ZINC000276532237 193369825 /nfs/dbraw/zinc/36/98/25/193369825.db2.gz NAGHXOBWBQEVLD-LBPRGKRZSA-N 0 2 282.252 1.044 10 5 CDBELN COc1nn(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356643381 372987824 /nfs/dbraw/zinc/98/78/24/372987824.db2.gz LIJDLHRGQRKLNF-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN Nc1cc(O)c([N+](=O)[O-])c(I)c1 ZINC000575729380 374145935 /nfs/dbraw/zinc/14/59/35/374145935.db2.gz ZIILGJMJGOOXAX-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN Cn1nccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183909849 391329749 /nfs/dbraw/zinc/32/97/49/391329749.db2.gz AXTVYTPLZHGHPV-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H](F)C1 ZINC000568138403 391591754 /nfs/dbraw/zinc/59/17/54/391591754.db2.gz OTDCAJLBRMICLA-MRVPVSSYSA-N 0 2 268.244 1.875 10 5 CDBELN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000527181907 392975991 /nfs/dbraw/zinc/97/59/91/392975991.db2.gz HQUOALAQHHPQPZ-HTQZYQBOSA-N 0 2 250.254 1.923 10 5 CDBELN CC(C)=CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000229158436 140200278 /nfs/dbraw/zinc/20/02/78/140200278.db2.gz ZMYMOVRDVJJTHQ-UHFFFAOYSA-N 0 2 250.254 1.996 10 5 CDBELN Cc1nnc([C@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])[nH]1 ZINC000343362322 152139048 /nfs/dbraw/zinc/13/90/48/152139048.db2.gz SHSKGZCBQYTQQS-LURJTMIESA-N 0 2 291.267 1.218 10 5 CDBELN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000354323211 156385848 /nfs/dbraw/zinc/38/58/48/156385848.db2.gz AOQGERCBDPSSII-YPMHNXCESA-N 0 2 294.307 1.988 10 5 CDBELN Cc1cc(C)n(-c2ncnc(NN(C)C)c2[N+](=O)[O-])n1 ZINC000040629066 174357447 /nfs/dbraw/zinc/35/74/47/174357447.db2.gz GJSLVMDNZPJELL-UHFFFAOYSA-N 0 2 277.288 1.076 10 5 CDBELN CC(C)[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330604604 280007037 /nfs/dbraw/zinc/00/70/37/280007037.db2.gz LJQQGDRJYRJZBH-ZDUSSCGKSA-N 0 2 294.307 1.797 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(C1)CCCOC2 ZINC000377171258 304532222 /nfs/dbraw/zinc/53/22/22/304532222.db2.gz DZRWCJDFSIIULI-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN O=C(NCCC1(O)CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000357171475 527618653 /nfs/dbraw/zinc/61/86/53/527618653.db2.gz YUHLIHGAQNRFJZ-UHFFFAOYSA-N 0 2 280.280 1.335 10 5 CDBELN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2cc(F)c(F)cc2O1 ZINC000906231118 627158269 /nfs/dbraw/zinc/15/82/69/627158269.db2.gz GNOBKXDNVZNFTL-BRDIYROLSA-N 0 2 298.245 1.744 10 5 CDBELN O=C(NOCC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000803107038 729818009 /nfs/dbraw/zinc/81/80/09/729818009.db2.gz RFTBBNLCEPQZRX-UHFFFAOYSA-N 0 2 262.168 1.227 10 5 CDBELN CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)co1 ZINC001636816791 1166701278 /nfs/dbraw/zinc/70/12/78/1166701278.db2.gz PHFZTALGMVOMEE-UHFFFAOYSA-N 0 2 291.263 1.781 10 5 CDBELN CC[C@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000709060949 899493990 /nfs/dbraw/zinc/49/39/90/899493990.db2.gz NSBITLOCUDPLLG-VIFPVBQESA-N 0 2 281.268 1.154 10 5 CDBELN CO[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCSC1 ZINC001556080963 964992565 /nfs/dbraw/zinc/99/25/65/964992565.db2.gz ARJFRBDZHCKLIB-LBPRGKRZSA-N 0 2 298.320 1.761 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@@H]1CO ZINC001469569422 970256400 /nfs/dbraw/zinc/25/64/00/970256400.db2.gz MJLNXGLOQZZJTA-LLVKDONJSA-N 0 2 294.307 1.678 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600803783 342249788 /nfs/dbraw/zinc/24/97/88/342249788.db2.gz YWEYITMHJOLETJ-ZEGGKSINSA-N 0 2 292.291 1.286 10 5 CDBELN O=C([O-])C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000594524064 342917450 /nfs/dbraw/zinc/91/74/50/342917450.db2.gz HSCJPTFYTHHNQC-UHFFFAOYSA-N 0 2 280.280 1.740 10 5 CDBELN O=C([O-])C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000594524064 342917451 /nfs/dbraw/zinc/91/74/51/342917451.db2.gz HSCJPTFYTHHNQC-UHFFFAOYSA-N 0 2 280.280 1.740 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2(C1)CCOCC2 ZINC000597485882 343544288 /nfs/dbraw/zinc/54/42/88/343544288.db2.gz YEZVPIQEEZXLTR-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN C[C@@H]1CCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000598216424 343735150 /nfs/dbraw/zinc/73/51/50/343735150.db2.gz ZSNKGQJHUOYWLA-MWLCHTKSSA-N 0 2 294.307 1.988 10 5 CDBELN CC1(C)OCc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c21 ZINC000601935387 344286107 /nfs/dbraw/zinc/28/61/07/344286107.db2.gz TVBGTLCRJCJRRW-LLVKDONJSA-N 0 2 275.264 1.722 10 5 CDBELN O=C([O-])c1c(C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000113648495 350731490 /nfs/dbraw/zinc/73/14/90/350731490.db2.gz HOGPKNMMOUTFJO-UHFFFAOYSA-N 0 2 266.253 1.125 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](C)O1 ZINC000194738263 363055762 /nfs/dbraw/zinc/05/57/62/363055762.db2.gz HDNVMWFBTJJCDY-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1O ZINC000184809869 357495800 /nfs/dbraw/zinc/49/58/00/357495800.db2.gz MGJYLVOGPKXCQL-BXKDBHETSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(COCC1CC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186011757 357602690 /nfs/dbraw/zinc/60/26/90/357602690.db2.gz RSAUDLUTOKJJPT-UHFFFAOYSA-N 0 2 266.253 1.666 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H]1C1CC1 ZINC000452994656 358993746 /nfs/dbraw/zinc/99/37/46/358993746.db2.gz QOAHLDVBBUXRPY-SNVBAGLBSA-N 0 2 262.265 1.925 10 5 CDBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC000291801526 239239112 /nfs/dbraw/zinc/23/91/12/239239112.db2.gz QORXGHRBZGUTMB-YFKPBYRVSA-N 0 2 278.186 1.981 10 5 CDBELN CCC[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000296217789 374679139 /nfs/dbraw/zinc/67/91/39/374679139.db2.gz WEVQOSUMNIIOMT-SECBINFHSA-N 0 2 282.296 1.845 10 5 CDBELN COCC[C@H](COC)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000427600760 247163583 /nfs/dbraw/zinc/16/35/83/247163583.db2.gz VMMMAIMUGMIUNI-SECBINFHSA-N 0 2 298.295 1.082 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](O)C1CCC1 ZINC000450389836 251259339 /nfs/dbraw/zinc/25/93/39/251259339.db2.gz KGFFSSRAZHOTGX-NSHDSACASA-N 0 2 266.253 1.400 10 5 CDBELN C[C@@H]1C[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CO1 ZINC000489969945 253020641 /nfs/dbraw/zinc/02/06/41/253020641.db2.gz FJJLPLMJMOTXOW-HTQZYQBOSA-N 0 2 266.253 1.664 10 5 CDBELN CO[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000188283839 391322401 /nfs/dbraw/zinc/32/24/01/391322401.db2.gz SDIMECGOMQEERR-SCZZXKLOSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CS1 ZINC000397974544 391638069 /nfs/dbraw/zinc/63/80/69/391638069.db2.gz OFOGXYSPWIMIBK-JGVFFNPUSA-N 0 2 282.321 1.924 10 5 CDBELN CCOC(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316753 140163762 /nfs/dbraw/zinc/16/37/62/140163762.db2.gz YKEOFBPELXGQQS-UHFFFAOYSA-N 0 2 282.296 1.845 10 5 CDBELN Cc1cnc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])o1 ZINC000231655896 140217108 /nfs/dbraw/zinc/21/71/08/140217108.db2.gz YOAUQCFCIGYNMR-UHFFFAOYSA-N 0 2 277.236 1.527 10 5 CDBELN CN(Cc1cn[nH]c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234309085 397887767 /nfs/dbraw/zinc/88/77/67/397887767.db2.gz LHZAFGKLVSNSPT-UHFFFAOYSA-N 0 2 276.252 1.296 10 5 CDBELN CC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000294232970 288234712 /nfs/dbraw/zinc/23/47/12/288234712.db2.gz ZIZBKAUWXFXZMV-QMMMGPOBSA-N 0 2 250.254 1.925 10 5 CDBELN Cn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1=O ZINC000182087808 323261878 /nfs/dbraw/zinc/26/18/78/323261878.db2.gz NTGXYCJCWMSCPW-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN O=C(Cc1cscn1)Nc1cc([N+](=O)[O-])ccc1O ZINC001610894873 1165475563 /nfs/dbraw/zinc/47/55/63/1165475563.db2.gz CVCWCOSGSUYQIX-UHFFFAOYSA-N 0 2 279.277 1.938 10 5 CDBELN CCCC[C@@](C)(CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000592856632 342738609 /nfs/dbraw/zinc/73/86/09/342738609.db2.gz UOWMKAIKKSDXIZ-AWEZNQCLSA-N 0 2 296.323 1.971 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600446721 342209668 /nfs/dbraw/zinc/20/96/68/342209668.db2.gz OMFQQOMMATZXGT-YDEXJTGXSA-N 0 2 294.307 1.842 10 5 CDBELN CC(C)n1cnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000593780727 342831586 /nfs/dbraw/zinc/83/15/86/342831586.db2.gz BGFMOYIMGVWIFM-UHFFFAOYSA-N 0 2 291.267 1.725 10 5 CDBELN O=C(NCC1CSC1)c1ccc([N+](=O)[O-])cc1O ZINC000597747431 343628052 /nfs/dbraw/zinc/62/80/52/343628052.db2.gz VCUMYQWSRXOCFU-UHFFFAOYSA-N 0 2 268.294 1.393 10 5 CDBELN CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CO1 ZINC000597863732 343661540 /nfs/dbraw/zinc/66/15/40/343661540.db2.gz HRZOYNYAGJEAGQ-MRVPVSSYSA-N 0 2 280.280 1.598 10 5 CDBELN Cc1nnc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])o1 ZINC000598095779 343714883 /nfs/dbraw/zinc/71/48/83/343714883.db2.gz HMSVRWBUJFRQDN-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]1C(F)F ZINC000601608412 344210189 /nfs/dbraw/zinc/21/01/89/344210189.db2.gz YVDNXEYEHSXTAF-SECBINFHSA-N 0 2 272.207 1.780 10 5 CDBELN O=C(N[C@@H](CO)C1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000292028622 198138039 /nfs/dbraw/zinc/13/80/39/198138039.db2.gz PNSQEFAWMKZLBV-NSHDSACASA-N 0 2 294.307 1.581 10 5 CDBELN CCO[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166141857 359698428 /nfs/dbraw/zinc/69/84/28/359698428.db2.gz DDHLBGCFVRGIBA-SSDOTTSWSA-N 0 2 254.242 1.664 10 5 CDBELN C[C@@H]1[C@H](O)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297052158 360307034 /nfs/dbraw/zinc/30/70/34/360307034.db2.gz VQXIOLZXQMQBOR-PSASIEDQSA-N 0 2 280.280 1.286 10 5 CDBELN CCOCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280762892 375019874 /nfs/dbraw/zinc/01/98/74/375019874.db2.gz LRDGDSFUOXRLSU-UHFFFAOYSA-N 0 2 254.242 1.067 10 5 CDBELN CC1(C)OCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000296344569 375580415 /nfs/dbraw/zinc/58/04/15/375580415.db2.gz SZNMMZKWTFWVSX-NSHDSACASA-N 0 2 280.280 1.598 10 5 CDBELN O=c1[nH][nH]c2cc([N+](=O)[O-])cc(Br)c12 ZINC000100229471 285098491 /nfs/dbraw/zinc/09/84/91/285098491.db2.gz NBQWNNRQTGLYOV-UHFFFAOYSA-N 0 2 258.031 1.939 10 5 CDBELN CO[C@@H](C)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355032905 391779435 /nfs/dbraw/zinc/77/94/35/391779435.db2.gz PUOLSVBAUGZVQH-YUMQZZPRSA-N 0 2 268.269 1.454 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)[C@H](C)O1 ZINC000438420579 392076635 /nfs/dbraw/zinc/07/66/35/392076635.db2.gz WUVIDDSDFZZCGS-UTLUCORTSA-N 0 2 294.307 1.938 10 5 CDBELN O=C(NC[C@H]1CCCS1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315999 140163264 /nfs/dbraw/zinc/16/32/64/140163264.db2.gz BHIGIKSIIAYWLT-SECBINFHSA-N 0 2 282.321 1.926 10 5 CDBELN COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000234949133 140232509 /nfs/dbraw/zinc/23/25/09/140232509.db2.gz IXYBOKLHGUZFKI-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN Cc1ncsc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235823045 140237418 /nfs/dbraw/zinc/23/74/18/140237418.db2.gz VUUBSJVCHRQXRQ-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](CO)C1 ZINC000236505281 140240236 /nfs/dbraw/zinc/24/02/36/140240236.db2.gz SJHQYPDVZFVCQT-VIFPVBQESA-N 0 2 280.280 1.145 10 5 CDBELN CC(C)[C@@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353698592 156021069 /nfs/dbraw/zinc/02/10/69/156021069.db2.gz NLEUPSASWBJKPT-ZDUSSCGKSA-N 0 2 282.296 1.437 10 5 CDBELN CCn1cnnc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000356074433 157343833 /nfs/dbraw/zinc/34/38/33/157343833.db2.gz YMKOTSKLIVILFH-UHFFFAOYSA-N 0 2 277.240 1.164 10 5 CDBELN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044620942 175219804 /nfs/dbraw/zinc/21/98/04/175219804.db2.gz VFPAPUQXQHLVQG-NSHDSACASA-N 0 2 295.295 1.328 10 5 CDBELN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044620942 175219805 /nfs/dbraw/zinc/21/98/05/175219805.db2.gz VFPAPUQXQHLVQG-NSHDSACASA-N 0 2 295.295 1.328 10 5 CDBELN O=c1[nH]nc(Sc2ncc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000192750345 227278121 /nfs/dbraw/zinc/27/81/21/227278121.db2.gz ZGAIGDMPPGBSHD-UHFFFAOYSA-N 0 2 273.661 1.618 10 5 CDBELN Cc1nn(C)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183912877 323349790 /nfs/dbraw/zinc/34/97/90/323349790.db2.gz ODMZPLXYRZXKRJ-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000235208569 525314316 /nfs/dbraw/zinc/31/43/16/525314316.db2.gz NMOVTZTWWPISDM-SECBINFHSA-N 0 2 294.307 1.845 10 5 CDBELN O=C(Nc1cccc(-c2ncc[nH]2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001628040185 1166033637 /nfs/dbraw/zinc/03/36/37/1166033637.db2.gz WDFUOQTZCXRPSM-GHMZBOCLSA-N 0 2 272.264 1.680 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nn(C)cc1O ZINC001640025292 1166986597 /nfs/dbraw/zinc/98/65/97/1166986597.db2.gz IFYKRCIMNFOLCZ-MRVPVSSYSA-N 0 2 290.279 1.525 10 5 CDBELN C[C@H](C1CC1)n1nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840312577 734519357 /nfs/dbraw/zinc/51/93/57/734519357.db2.gz NCQLPGGDPGTQFB-SZEHBUNVSA-N 0 2 264.285 1.458 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncc(Cl)cn1 ZINC001567232666 1168631001 /nfs/dbraw/zinc/63/10/01/1168631001.db2.gz ZRVOVBWXMMUOAL-UHFFFAOYSA-N 0 2 294.654 1.996 10 5 CDBELN Cc1nonc1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001567229972 1168631963 /nfs/dbraw/zinc/63/19/63/1168631963.db2.gz PLTPOXATWPAGQD-UHFFFAOYSA-N 0 2 278.224 1.173 10 5 CDBELN CC[C@@H](C[N+](=O)[O-])OC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001347431338 965525192 /nfs/dbraw/zinc/52/51/92/965525192.db2.gz XZAUIULFFVCDAB-IUCAKERBSA-N 0 2 281.312 1.747 10 5 CDBELN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1O ZINC000436821510 361745372 /nfs/dbraw/zinc/74/53/72/361745372.db2.gz KZGRZLCOSIARKR-GDGBQDQQSA-N 0 2 262.265 1.829 10 5 CDBELN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593288086 342784464 /nfs/dbraw/zinc/78/44/64/342784464.db2.gz FXTSAEKEYSUFBQ-NXEZZACHSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593288086 342784466 /nfs/dbraw/zinc/78/44/66/342784466.db2.gz FXTSAEKEYSUFBQ-NXEZZACHSA-N 0 2 294.307 1.986 10 5 CDBELN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000600520337 342229603 /nfs/dbraw/zinc/22/96/03/342229603.db2.gz FJCATSJJUWBQRJ-JOYOIKCWSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000598786161 343898284 /nfs/dbraw/zinc/89/82/84/343898284.db2.gz RWKKSVLNEWVVDD-UWVGGRQHSA-N 0 2 294.307 1.391 10 5 CDBELN CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1 ZINC000292954868 362521978 /nfs/dbraw/zinc/52/19/78/362521978.db2.gz VPBDBQGQGGTGFD-NSHDSACASA-N 0 2 294.307 1.940 10 5 CDBELN CC[C@](C)(CO)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000520427019 361512654 /nfs/dbraw/zinc/51/26/54/361512654.db2.gz YDPRVRZXKXEDGJ-GFCCVEGCSA-N 0 2 268.269 1.648 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](CCO)C1 ZINC000227404535 375519948 /nfs/dbraw/zinc/51/99/48/375519948.db2.gz LXQDGMAOYSYKCU-JTQLQIEISA-N 0 2 294.307 1.535 10 5 CDBELN COC[C@@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCOC1 ZINC000450542209 251329867 /nfs/dbraw/zinc/32/98/67/251329867.db2.gz SYTRYOVXPMIHGI-ZDUSSCGKSA-N 0 2 296.279 1.292 10 5 CDBELN CC[C@@H](O)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281240663 195163400 /nfs/dbraw/zinc/16/34/00/195163400.db2.gz NOLIPGQJHQSMAK-MRVPVSSYSA-N 0 2 268.269 1.191 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCOC1 ZINC000312509258 149232908 /nfs/dbraw/zinc/23/29/08/149232908.db2.gz GMHVZMAQDOUMAK-JTQLQIEISA-N 0 2 280.280 1.551 10 5 CDBELN Cc1cc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])on1 ZINC000343116063 152037845 /nfs/dbraw/zinc/03/78/45/152037845.db2.gz GZCHNVBCCZMOBT-UHFFFAOYSA-N 0 2 291.263 1.569 10 5 CDBELN CCOc1ccc(C(=O)N=c2cccn[nH]2)cc1[N+](=O)[O-] ZINC000346057201 153038154 /nfs/dbraw/zinc/03/81/54/153038154.db2.gz MGJBMIIMLJZXPJ-UHFFFAOYSA-N 0 2 288.263 1.458 10 5 CDBELN CCOC(=O)[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353998920 156215100 /nfs/dbraw/zinc/21/51/00/156215100.db2.gz YXPGSJRQRCOATI-MRVPVSSYSA-N 0 2 296.279 1.229 10 5 CDBELN COc1cc([N+](=O)[O-])ccc1CSc1n[nH]c(=O)[nH]1 ZINC000362342068 159124784 /nfs/dbraw/zinc/12/47/84/159124784.db2.gz ZBTVFIRQVDETPY-UHFFFAOYSA-N 0 2 282.281 1.719 10 5 CDBELN COCC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCC1 ZINC000285715207 196376759 /nfs/dbraw/zinc/37/67/59/196376759.db2.gz DPDYRYDZWGBRIE-UHFFFAOYSA-N 0 2 280.280 1.599 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000235326307 296914453 /nfs/dbraw/zinc/91/44/53/296914453.db2.gz CTHXEJCGMWGTEH-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN Cc1ccc(Sc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000192750920 227281378 /nfs/dbraw/zinc/28/13/78/227281378.db2.gz RCYNIUYHPDNRED-UHFFFAOYSA-N 0 2 252.255 1.878 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCCO1 ZINC000330620418 304500922 /nfs/dbraw/zinc/50/09/22/304500922.db2.gz KEWPBPUWCSYSPC-UHFFFAOYSA-N 0 2 252.226 1.468 10 5 CDBELN CC(C)c1csc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])n1 ZINC000047248927 278068358 /nfs/dbraw/zinc/06/83/58/278068358.db2.gz JOBAVFNAJHHINP-XPUUQOCRSA-N 0 2 255.299 1.870 10 5 CDBELN CCc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])on1 ZINC000556850084 290310280 /nfs/dbraw/zinc/31/02/80/290310280.db2.gz JBBFTQLFHPQZAI-UHFFFAOYSA-N 0 2 291.263 1.781 10 5 CDBELN CCOC(=O)CCN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000339271411 520669787 /nfs/dbraw/zinc/66/97/87/520669787.db2.gz QPZXOYFZRIRNOK-UHFFFAOYSA-N 0 2 296.279 1.326 10 5 CDBELN CN(C[C@@H]1CCCOC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234273683 523061415 /nfs/dbraw/zinc/06/14/15/523061415.db2.gz LESFKNYEXZIODJ-JTQLQIEISA-N 0 2 294.307 1.799 10 5 CDBELN O=C([O-])c1cc([N+](=O)[O-])ccc1OCCCn1cc[nH+]c1 ZINC000049328258 526357090 /nfs/dbraw/zinc/35/70/90/526357090.db2.gz NSXUPPJUFPSOKF-UHFFFAOYSA-N 0 2 291.263 1.959 10 5 CDBELN Cc1sc(C(=O)OCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000774914717 575251230 /nfs/dbraw/zinc/25/12/30/575251230.db2.gz QHBUDIZXMFDQLL-UHFFFAOYSA-N 0 2 284.253 1.145 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000796876747 738369834 /nfs/dbraw/zinc/36/98/34/738369834.db2.gz CSKCAIHWQAKFRI-UHFFFAOYSA-N 0 2 262.225 1.300 10 5 CDBELN O=C(N[C@H]1CCn2cncc21)c1ccc([N+](=O)[O-])cc1O ZINC001557694260 965197226 /nfs/dbraw/zinc/19/72/26/965197226.db2.gz XBMNVXMHLRENEQ-JTQLQIEISA-N 0 2 288.263 1.372 10 5 CDBELN O=C(Nc1nccn1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001528877094 968950644 /nfs/dbraw/zinc/95/06/44/968950644.db2.gz PXBGDYZFRPOOOZ-GHMZBOCLSA-N 0 2 272.264 1.476 10 5 CDBELN O=C(N[C@H](CO)CC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586803763 342470221 /nfs/dbraw/zinc/47/02/21/342470221.db2.gz RQCJAGMMTFGLQS-VIFPVBQESA-N 0 2 280.280 1.191 10 5 CDBELN CN(Cc1cc[nH]n1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436968535 362159277 /nfs/dbraw/zinc/15/92/77/362159277.db2.gz USUWKNMHHDPOHD-UHFFFAOYSA-N 0 2 276.252 1.296 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000598396057 343778543 /nfs/dbraw/zinc/77/85/43/343778543.db2.gz QVPLKKFMBSOBJI-ZJUUUORDSA-N 0 2 292.291 1.409 10 5 CDBELN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1 ZINC000194745152 363061487 /nfs/dbraw/zinc/06/14/87/363061487.db2.gz WOHJJBQNZXQLED-UFBFGSQYSA-N 0 2 280.280 1.598 10 5 CDBELN Nc1c(I)c(O)ccc1[N+](=O)[O-] ZINC000575729206 357347881 /nfs/dbraw/zinc/34/78/81/357347881.db2.gz XCKLTRZOXUNBII-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCn2nccc21 ZINC000367498385 363936968 /nfs/dbraw/zinc/93/69/68/363936968.db2.gz SPROFYQZKJEVOQ-UHFFFAOYSA-N 0 2 274.236 1.157 10 5 CDBELN Nc1cc(O)c([N+](=O)[O-])cc1I ZINC000575729388 374145967 /nfs/dbraw/zinc/14/59/67/374145967.db2.gz ZQHJLUXQAXTDOF-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN CC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)O ZINC000293919738 375434337 /nfs/dbraw/zinc/43/43/37/375434337.db2.gz FFQPJOYKKNTQAU-SNVBAGLBSA-N 0 2 282.296 1.580 10 5 CDBELN O=C(NC[C@H]1CCC[C@@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353491754 375617499 /nfs/dbraw/zinc/61/74/99/375617499.db2.gz KYNQQBNOSFFPQZ-PELKAZGASA-N 0 2 280.280 1.191 10 5 CDBELN CC1(O)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000283260127 390551402 /nfs/dbraw/zinc/55/14/02/390551402.db2.gz DBYPIOSVIYRSQP-UHFFFAOYSA-N 0 2 280.280 1.287 10 5 CDBELN Cc1cnc(Sc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000193533370 393189088 /nfs/dbraw/zinc/18/90/88/393189088.db2.gz CPLIOKTYPLGWMS-UHFFFAOYSA-N 0 2 253.243 1.273 10 5 CDBELN COC(OC)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000289214399 292080871 /nfs/dbraw/zinc/08/08/71/292080871.db2.gz YRENSJBRQYXGPN-SSDOTTSWSA-N 0 2 284.268 1.038 10 5 CDBELN O=C(NCc1ccoc1)c1cccc(O)c1[N+](=O)[O-] ZINC000343295491 152107284 /nfs/dbraw/zinc/10/72/84/152107284.db2.gz XXHHEBLJHFSFNM-UHFFFAOYSA-N 0 2 262.221 1.823 10 5 CDBELN O=C(NCc1ccc(=O)[nH]c1)c1cccc(O)c1[N+](=O)[O-] ZINC000343459698 152188769 /nfs/dbraw/zinc/18/87/69/152188769.db2.gz APNGYTCODHKPLA-UHFFFAOYSA-N 0 2 289.247 1.331 10 5 CDBELN C[C@@H]1COCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000278770319 297139201 /nfs/dbraw/zinc/13/92/01/297139201.db2.gz XTYDDDGUJLGWFC-KCJUWKMLSA-N 0 2 280.280 1.455 10 5 CDBELN O=C(N[C@H](CO)C1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000359607567 158308232 /nfs/dbraw/zinc/30/82/32/158308232.db2.gz CFNHAPRKKQWGQF-GFCCVEGCSA-N 0 2 294.307 1.581 10 5 CDBELN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc[nH+]cc2)ccc1[O-] ZINC000037326221 173127347 /nfs/dbraw/zinc/12/73/47/173127347.db2.gz VGABMEXYWXXNOW-UHFFFAOYSA-N 0 2 295.276 1.496 10 5 CDBELN CCC1CN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000413359608 278653788 /nfs/dbraw/zinc/65/37/88/278653788.db2.gz HKMXOVNUEJHYDI-UHFFFAOYSA-N 0 2 279.296 1.931 10 5 CDBELN C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000192892493 297133714 /nfs/dbraw/zinc/13/37/14/297133714.db2.gz ROMGBGZYYLHYFJ-SCZZXKLOSA-N 0 2 280.280 1.912 10 5 CDBELN CC1(C)CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)O1 ZINC000187342023 520391844 /nfs/dbraw/zinc/39/18/44/520391844.db2.gz PFTFNCNWHJAQHT-JTQLQIEISA-N 0 2 294.307 1.988 10 5 CDBELN COCC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000234731221 522933324 /nfs/dbraw/zinc/93/33/24/522933324.db2.gz QGIRZBKLRFLYJK-UHFFFAOYSA-N 0 2 294.307 1.799 10 5 CDBELN C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000049237797 524795940 /nfs/dbraw/zinc/79/59/40/524795940.db2.gz HELHOYMKZUEXCO-SECBINFHSA-N 0 2 290.279 1.990 10 5 CDBELN O=C(NC[C@H]1CCCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561537 526591522 /nfs/dbraw/zinc/59/15/22/526591522.db2.gz IWTYFRLDOACMAF-SNVBAGLBSA-N 0 2 280.280 1.599 10 5 CDBELN CC(C)(C)OC(=O)NCCc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000904769463 626348002 /nfs/dbraw/zinc/34/80/02/626348002.db2.gz QXORKPQLHXBXGI-HTQZYQBOSA-N 0 2 298.299 1.269 10 5 CDBELN O=C(Nc1ccn(C2CCSCC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869942703 740025170 /nfs/dbraw/zinc/02/51/70/740025170.db2.gz LQLLXLOYUHDFFF-NXEZZACHSA-N 0 2 296.352 1.555 10 5 CDBELN C/C=C/[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001466629117 969981184 /nfs/dbraw/zinc/98/11/84/969981184.db2.gz RJJSKPLEXMNLAS-VMZHVLLKSA-N 0 2 252.226 1.176 10 5 CDBELN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600261271 341991280 /nfs/dbraw/zinc/99/12/80/341991280.db2.gz ZNUWFIHWOPXEET-RMLUDKJBSA-N 0 2 292.291 1.598 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CC(F)C2)C1 ZINC000611535807 346814908 /nfs/dbraw/zinc/81/49/08/346814908.db2.gz HPUIMJHHKDJYHJ-UHFFFAOYSA-N 0 2 280.255 1.875 10 5 CDBELN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(C)(C)O ZINC000611535459 346814985 /nfs/dbraw/zinc/81/49/85/346814985.db2.gz CODHSETWRQODDX-ZETCQYMHSA-N 0 2 268.269 1.190 10 5 CDBELN CCOC(=O)CN(CC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233669518 342040726 /nfs/dbraw/zinc/04/07/26/342040726.db2.gz OPTITXDEXDOZMF-UHFFFAOYSA-N 0 2 296.279 1.326 10 5 CDBELN CO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436855881 361922039 /nfs/dbraw/zinc/92/20/39/361922039.db2.gz XTMRJVDDPKOLSU-AOOOYVTPSA-N 0 2 280.280 1.550 10 5 CDBELN C[C@@H](O)CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000594415765 342902468 /nfs/dbraw/zinc/90/24/68/342902468.db2.gz RLGKAHQLJDMPGZ-MRVPVSSYSA-N 0 2 280.280 1.286 10 5 CDBELN Cc1noc(CN(C)C(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000594418435 342902929 /nfs/dbraw/zinc/90/29/29/342902929.db2.gz NTXBDMJJEXRQRS-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN O=C(NCCc1ccc[nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000089459517 342388782 /nfs/dbraw/zinc/38/87/82/342388782.db2.gz ROPMQVIKANEQDI-UHFFFAOYSA-N 0 2 275.264 1.601 10 5 CDBELN O=C(N[C@@H](CO)C1CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597920561 343671131 /nfs/dbraw/zinc/67/11/31/343671131.db2.gz GSEVQYQYAJKDII-JTQLQIEISA-N 0 2 280.280 1.191 10 5 CDBELN O=C(N[C@H](CO)C1CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000597918551 343670223 /nfs/dbraw/zinc/67/02/23/343670223.db2.gz HQWVZOAMZSHJHG-LLVKDONJSA-N 0 2 280.280 1.191 10 5 CDBELN CCO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598059664 343698909 /nfs/dbraw/zinc/69/89/09/343698909.db2.gz JELNOFIJNGBQGO-KYZUINATSA-N 0 2 280.280 1.598 10 5 CDBELN CCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1C ZINC000614271980 348051368 /nfs/dbraw/zinc/05/13/68/348051368.db2.gz WJTQAWULPDLNRJ-UHFFFAOYSA-N 0 2 290.279 1.849 10 5 CDBELN O=C(NCC[C@H]1CCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561005 363246079 /nfs/dbraw/zinc/24/60/79/363246079.db2.gz KNHHTRZKFQPPHH-SNVBAGLBSA-N 0 2 280.280 1.599 10 5 CDBELN CN(CC1(CO)CC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000189100638 357971796 /nfs/dbraw/zinc/97/17/96/357971796.db2.gz WHACNTKPUUNIND-UHFFFAOYSA-N 0 2 280.280 1.145 10 5 CDBELN Cn1c(=O)cccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361658232 358407968 /nfs/dbraw/zinc/40/79/68/358407968.db2.gz FEEHWZQQTZKXGV-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN O=C(NCc1ccccn1)c1cccc(O)c1[N+](=O)[O-] ZINC000350767844 358897000 /nfs/dbraw/zinc/89/70/00/358897000.db2.gz OLEIXPUMAAKBPK-UHFFFAOYSA-N 0 2 273.248 1.625 10 5 CDBELN C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166146306 359698414 /nfs/dbraw/zinc/69/84/14/359698414.db2.gz QTKGSYAVIBJAMA-IONNQARKSA-N 0 2 266.253 1.664 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2(C1)CCCOC2 ZINC000368179870 371816551 /nfs/dbraw/zinc/81/65/51/371816551.db2.gz ORTZGUVIPWMWQW-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN CCc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000162582088 375387012 /nfs/dbraw/zinc/38/70/12/375387012.db2.gz VZIXJGZTGXFMJA-UHFFFAOYSA-N 0 2 276.252 1.838 10 5 CDBELN O=C([O-])c1ccc([N+](=O)[O-])c(NCC[NH+]2CCOCC2)c1 ZINC000211508323 375677042 /nfs/dbraw/zinc/67/70/42/375677042.db2.gz ZMJOVHQLASOSRG-UHFFFAOYSA-N 0 2 295.295 1.037 10 5 CDBELN O=C(NC1(CCO)CCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000285829024 390184937 /nfs/dbraw/zinc/18/49/37/390184937.db2.gz AMDJXQUJBZDVRB-UHFFFAOYSA-N 0 2 294.307 1.725 10 5 CDBELN O=C(CC1OCCCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000281735373 195357136 /nfs/dbraw/zinc/35/71/36/195357136.db2.gz YCBMMFUCDMSORK-UHFFFAOYSA-N 0 2 282.252 1.392 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000217316737 390964606 /nfs/dbraw/zinc/96/46/06/390964606.db2.gz CTHXEJCGMWGTEH-DTORHVGOSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](C2CC2)C1 ZINC000364488546 390964928 /nfs/dbraw/zinc/96/49/28/390964928.db2.gz VFOCFERVAQXUCN-CYBMUJFWSA-N 0 2 292.291 1.551 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1=O ZINC000189537387 391768936 /nfs/dbraw/zinc/76/89/36/391768936.db2.gz XWAUGTFOPCYTAB-MRVPVSSYSA-N 0 2 278.264 1.352 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000217316366 391902557 /nfs/dbraw/zinc/90/25/57/391902557.db2.gz QJBIHWHZNPSTBR-RLCGTCKNSA-N 0 2 292.291 1.143 10 5 CDBELN CC(C)n1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1 ZINC000346326007 153141006 /nfs/dbraw/zinc/14/10/06/153141006.db2.gz NPVCZOCIUNVCGZ-UHFFFAOYSA-N 0 2 291.267 1.725 10 5 CDBELN CN(C[C@H]1CCOC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346382438 153163252 /nfs/dbraw/zinc/16/32/52/153163252.db2.gz VETNTUUBDWYASJ-SECBINFHSA-N 0 2 280.280 1.409 10 5 CDBELN CC[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000421994941 287307277 /nfs/dbraw/zinc/30/72/77/287307277.db2.gz TYXZDKLKKIIWBA-MWLCHTKSSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](F)C1 ZINC000452354589 304502023 /nfs/dbraw/zinc/50/20/23/304502023.db2.gz LVAKAKKJVGVTPP-ZETCQYMHSA-N 0 2 254.217 1.484 10 5 CDBELN CC1(C)COC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000313049653 270323908 /nfs/dbraw/zinc/32/39/08/270323908.db2.gz ZOCUEMVPSCLPBB-LLVKDONJSA-N 0 2 280.280 1.455 10 5 CDBELN C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000049237793 524795806 /nfs/dbraw/zinc/79/58/06/524795806.db2.gz HBASYDQLEFXSGV-SECBINFHSA-N 0 2 290.279 1.990 10 5 CDBELN COCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234616753 536586981 /nfs/dbraw/zinc/58/69/81/536586981.db2.gz MQBOXTLQURXZJL-UHFFFAOYSA-N 0 2 254.242 1.067 10 5 CDBELN CC(C)c1cncnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001134080165 1164041981 /nfs/dbraw/zinc/04/19/81/1164041981.db2.gz SHNTVNDMDVWTQS-VXNVDRBHSA-N 0 2 250.258 1.204 10 5 CDBELN O=C(NCC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC001587005213 1172967784 /nfs/dbraw/zinc/96/77/84/1172967784.db2.gz KHPOAMSLRFLJMF-MRVPVSSYSA-N 0 2 290.222 1.046 10 5 CDBELN O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001557739526 965205183 /nfs/dbraw/zinc/20/51/83/965205183.db2.gz LKFCKJYUJPNYRG-GHMZBOCLSA-N 0 2 288.263 1.182 10 5 CDBELN O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001557739526 965205197 /nfs/dbraw/zinc/20/51/97/965205197.db2.gz LKFCKJYUJPNYRG-GHMZBOCLSA-N 0 2 288.263 1.182 10 5 CDBELN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OC ZINC000592854806 342737952 /nfs/dbraw/zinc/73/79/52/342737952.db2.gz PULGSNXXRNOTPY-QMMMGPOBSA-N 0 2 296.279 1.229 10 5 CDBELN Cc1nnc(CN(C)C(=O)c2cccc(O)c2[N+](=O)[O-])o1 ZINC000598094442 343714626 /nfs/dbraw/zinc/71/46/26/343714626.db2.gz BNDXQHBWLGYKBZ-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN Cn1cc(Nc2ncc([N+](=O)[O-])cn2)c(C2CC2)n1 ZINC000292306287 198237885 /nfs/dbraw/zinc/23/78/85/198237885.db2.gz LMEJNERGTBCPBN-UHFFFAOYSA-N 0 2 260.257 1.739 10 5 CDBELN O=C(NCC1=CCCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000292444573 198291568 /nfs/dbraw/zinc/29/15/68/198291568.db2.gz XKKDTHVEXAVGFC-UHFFFAOYSA-N 0 2 278.264 1.377 10 5 CDBELN C[C@H](O)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000560599205 357001930 /nfs/dbraw/zinc/00/19/30/357001930.db2.gz MKZUHIVNNRSCPI-UWVGGRQHSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(NCC1=CCCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000360461698 357269544 /nfs/dbraw/zinc/26/95/44/357269544.db2.gz OGTLKUFDZFZFGD-UHFFFAOYSA-N 0 2 278.264 1.377 10 5 CDBELN CCn1nccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166104196 359065310 /nfs/dbraw/zinc/06/53/10/359065310.db2.gz VEOZUNQHHRMEEV-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN CCOC(=O)[C@@H](CC)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000412241129 240108511 /nfs/dbraw/zinc/10/85/11/240108511.db2.gz HKBQARXOZVAYBO-VIFPVBQESA-N 0 2 296.279 1.828 10 5 CDBELN CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330750805 203188930 /nfs/dbraw/zinc/18/89/30/203188930.db2.gz BEOABQKQPXCGFP-RNCFNFMXSA-N 0 2 294.307 1.533 10 5 CDBELN NC(=O)c1c(Br)cc(O)cc1[N+](=O)[O-] ZINC000575692534 373867643 /nfs/dbraw/zinc/86/76/43/373867643.db2.gz YHEYFBIDFGUBAM-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN Cc1cncc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000354501099 375717830 /nfs/dbraw/zinc/71/78/30/375717830.db2.gz MSGRYUMECYMREA-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@H](CF)C1 ZINC000413855963 391270442 /nfs/dbraw/zinc/27/04/42/391270442.db2.gz BHDBMXLITLSPLJ-MRVPVSSYSA-N 0 2 284.243 1.111 10 5 CDBELN CCOC1CC(N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000489476810 393195335 /nfs/dbraw/zinc/19/53/35/393195335.db2.gz NJETXCYJCNKCSJ-UHFFFAOYSA-N 0 2 294.307 1.940 10 5 CDBELN C[C@H](O)CCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316582 140162923 /nfs/dbraw/zinc/16/29/23/140162923.db2.gz YXEDDQBYWCQNIB-QMMMGPOBSA-N 0 2 268.269 1.143 10 5 CDBELN CN(CC(F)F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316593 140163246 /nfs/dbraw/zinc/16/32/46/140163246.db2.gz YFZQPVZJZOUPLD-UHFFFAOYSA-N 0 2 260.196 1.638 10 5 CDBELN O=C(NCc1ccc[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346381112 153163646 /nfs/dbraw/zinc/16/36/46/153163646.db2.gz UBRARCXILHEXSX-UHFFFAOYSA-N 0 2 261.237 1.559 10 5 CDBELN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1O ZINC000408409992 160768266 /nfs/dbraw/zinc/76/82/66/160768266.db2.gz HQYOLJCKGOLFGP-PRHODGIISA-N 0 2 280.280 1.143 10 5 CDBELN CN(C)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-] ZINC000040608375 174353166 /nfs/dbraw/zinc/35/31/66/174353166.db2.gz MXBBPSAXYNQFQT-UHFFFAOYSA-N 0 2 274.284 1.890 10 5 CDBELN O=C(NC[C@@H]1CCCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561362 526507698 /nfs/dbraw/zinc/50/76/98/526507698.db2.gz IWTYFRLDOACMAF-JTQLQIEISA-N 0 2 280.280 1.599 10 5 CDBELN CCOCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233734416 535546231 /nfs/dbraw/zinc/54/62/31/535546231.db2.gz MTNKWUMCILNQRQ-UHFFFAOYSA-N 0 2 268.269 1.457 10 5 CDBELN O=C(NO[C@@H]1CCCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000788295258 749906650 /nfs/dbraw/zinc/90/66/50/749906650.db2.gz CDIZQKNOBFQRDT-LLVKDONJSA-N 0 2 282.252 1.488 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnccn1 ZINC001143589316 905699846 /nfs/dbraw/zinc/69/98/46/905699846.db2.gz SNABRSSSJCEIKN-QMMMGPOBSA-N 0 2 288.263 1.581 10 5 CDBELN Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)[nH]c1C ZINC001294520544 954520339 /nfs/dbraw/zinc/52/03/39/954520339.db2.gz UCQSISSKOASQBX-UHFFFAOYSA-N 0 2 290.279 1.570 10 5 CDBELN Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1Cl ZINC001301551804 955957586 /nfs/dbraw/zinc/95/75/86/955957586.db2.gz UHOIVBCNQYVZSX-UHFFFAOYSA-N 0 2 296.670 1.940 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2ccnc21 ZINC001454533458 968496293 /nfs/dbraw/zinc/49/62/93/968496293.db2.gz FJOAVKNYEFHKHE-UHFFFAOYSA-N 0 2 274.236 1.157 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(CC(F)C2)C1 ZINC000586801063 342469928 /nfs/dbraw/zinc/46/99/28/342469928.db2.gz WDHDPPXQXXTTDJ-UHFFFAOYSA-N 0 2 280.255 1.875 10 5 CDBELN C[C@H]1SCC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592905857 342747864 /nfs/dbraw/zinc/74/78/64/342747864.db2.gz YPXVINMCJNDDSB-APPZFPTMSA-N 0 2 282.321 1.924 10 5 CDBELN CCCC[C@](C)(CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000592856633 342738520 /nfs/dbraw/zinc/73/85/20/342738520.db2.gz UOWMKAIKKSDXIZ-CQSZACIVSA-N 0 2 296.323 1.971 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000598440143 343797388 /nfs/dbraw/zinc/79/73/88/343797388.db2.gz DPPTYFPKPKBXBU-XPTSAGLGSA-N 0 2 294.307 1.391 10 5 CDBELN O=C(NCc1noc([C@H]2C[C@@H]2[N+](=O)[O-])n1)c1ccccc1 ZINC000075609913 346763860 /nfs/dbraw/zinc/76/38/60/346763860.db2.gz ZIYBZDRTYDHWKV-UWVGGRQHSA-N 0 2 288.263 1.132 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CC(F)C2)C1 ZINC000614006297 347962121 /nfs/dbraw/zinc/96/21/21/347962121.db2.gz HAEBLUOZTSTUMH-UHFFFAOYSA-N 0 2 280.255 1.875 10 5 CDBELN C[C@H]1SCC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000311831051 350723539 /nfs/dbraw/zinc/72/35/39/350723539.db2.gz GGBBFINGMDWXIZ-GMSGAONNSA-N 0 2 282.321 1.924 10 5 CDBELN CO[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CC1 ZINC000280248392 363103056 /nfs/dbraw/zinc/10/30/56/363103056.db2.gz IOXVNZPJAQZNAK-NSHDSACASA-N 0 2 266.253 1.664 10 5 CDBELN C[C@@H](CO)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182122553 357410008 /nfs/dbraw/zinc/41/00/08/357410008.db2.gz JFCLJWUDJFMFEU-JGVFFNPUSA-N 0 2 268.269 1.047 10 5 CDBELN O=C(C[C@H]1CCOC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361656264 358403316 /nfs/dbraw/zinc/40/33/16/358403316.db2.gz RUNCQBKVZCEXDV-MRVPVSSYSA-N 0 2 266.253 1.666 10 5 CDBELN O=C(NN1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000289040411 359428594 /nfs/dbraw/zinc/42/85/94/359428594.db2.gz ZEJNDJCDIFSVFD-UHFFFAOYSA-N 0 2 251.242 1.041 10 5 CDBELN CCc1ncncc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000548518684 366917121 /nfs/dbraw/zinc/91/71/21/366917121.db2.gz SMIKWQLBXJYSTG-UHFFFAOYSA-N 0 2 288.263 1.905 10 5 CDBELN CO[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOC1 ZINC000276532233 193370577 /nfs/dbraw/zinc/37/05/77/193370577.db2.gz NAGHXOBWBQEVLD-GFCCVEGCSA-N 0 2 282.252 1.044 10 5 CDBELN O=C(N[C@H]1CCCSC1)c1cccc(O)c1[N+](=O)[O-] ZINC000293776345 370376681 /nfs/dbraw/zinc/37/66/81/370376681.db2.gz NWTQQOFNMBHMJB-QMMMGPOBSA-N 0 2 282.321 1.926 10 5 CDBELN COC(=O)c1cc([N+](=O)[O-])c(Br)cc1O ZINC000575712266 373973659 /nfs/dbraw/zinc/97/36/59/373973659.db2.gz GIUDVWATFVEVGY-UHFFFAOYSA-N 0 2 276.042 1.850 10 5 CDBELN C[C@H](CO)[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280959893 195046673 /nfs/dbraw/zinc/04/66/73/195046673.db2.gz JQRJWPMEDIEDTE-SFYZADRCSA-N 0 2 268.269 1.047 10 5 CDBELN COC(OC)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000288774697 197162433 /nfs/dbraw/zinc/16/24/33/197162433.db2.gz DBZPQSFZNLGXNH-ZETCQYMHSA-N 0 2 284.268 1.038 10 5 CDBELN COC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000430250859 393095171 /nfs/dbraw/zinc/09/51/71/393095171.db2.gz MYQZJPBKJGZUCT-UHFFFAOYSA-N 0 2 296.279 1.972 10 5 CDBELN O=C(N[C@H]1CCCSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316591 140163131 /nfs/dbraw/zinc/16/31/31/140163131.db2.gz DLWRYIPOBLLHRA-QMMMGPOBSA-N 0 2 282.321 1.926 10 5 CDBELN CC(C)(C)C(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346853899 153328293 /nfs/dbraw/zinc/32/82/93/153328293.db2.gz YAHWZSLRGZANCF-UHFFFAOYSA-N 0 2 280.280 1.645 10 5 CDBELN O=C(N[C@H]1CCC[C@@H]1CCO)c1cc(O)ccc1[N+](=O)[O-] ZINC000354810167 156674614 /nfs/dbraw/zinc/67/46/14/156674614.db2.gz BOOBFXRLHBYBCD-SKDRFNHKSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@@H]1COCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000278424931 297139104 /nfs/dbraw/zinc/13/91/04/297139104.db2.gz GKGHJPAPGFWPTP-SCZZXKLOSA-N 0 2 280.280 1.455 10 5 CDBELN COc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000361655153 165087777 /nfs/dbraw/zinc/08/77/77/165087777.db2.gz OGZGYVDGCBBWJM-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN Cc1c(NCCn2cc[nH+]c2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000043387141 175032463 /nfs/dbraw/zinc/03/24/63/175032463.db2.gz OLKBMBDXUXBLHJ-UHFFFAOYSA-N 0 2 290.279 1.910 10 5 CDBELN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000331293768 287348606 /nfs/dbraw/zinc/34/86/06/287348606.db2.gz CBLKXMQZLBZQQC-MWLCHTKSSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H]21 ZINC000353268951 304502521 /nfs/dbraw/zinc/50/25/21/304502521.db2.gz TUSBVZIRKLVMAY-KWQFWETISA-N 0 2 262.265 1.925 10 5 CDBELN C[C@H]1C[C@H](CO)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000398700079 270357752 /nfs/dbraw/zinc/35/77/52/270357752.db2.gz LKXYAMADHGSTEE-UWVGGRQHSA-N 0 2 294.307 1.391 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458338221 304551053 /nfs/dbraw/zinc/55/10/53/304551053.db2.gz SPCQWLBBPBNBJI-YUMQZZPRSA-N 0 2 280.305 1.630 10 5 CDBELN O=C([O-])c1ccc([N+](=O)[O-])c(OCCCn2cc[nH+]c2)c1 ZINC000050517625 526384175 /nfs/dbraw/zinc/38/41/75/526384175.db2.gz FDPBZGWRWZWZRE-UHFFFAOYSA-N 0 2 291.263 1.959 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@@]12CCOC2 ZINC000372478350 527236119 /nfs/dbraw/zinc/23/61/19/527236119.db2.gz QOCOXBYAXJEDGF-NOZJJQNGSA-N 0 2 278.264 1.666 10 5 CDBELN Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)n1 ZINC001610894980 1165475581 /nfs/dbraw/zinc/47/55/81/1165475581.db2.gz DQFZOXGXAXNNEB-UHFFFAOYSA-N 0 2 296.670 1.940 10 5 CDBELN CO[C@H]1CC[C@@H](C)N(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000870725788 753870070 /nfs/dbraw/zinc/87/00/70/753870070.db2.gz RZFOZISCIOXMJD-KOLCDFICSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1C2CCC1(CO)CC2 ZINC001646163938 1167673263 /nfs/dbraw/zinc/67/32/63/1167673263.db2.gz IIZARTATDKAYRQ-UHFFFAOYSA-N 0 2 292.291 1.430 10 5 CDBELN CC(C)c1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC001321539630 959842017 /nfs/dbraw/zinc/84/20/17/959842017.db2.gz KTXKXUREMBJAMF-UHFFFAOYSA-N 0 2 264.245 1.417 10 5 CDBELN CC(C)c1nc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n[nH]1 ZINC001321539630 959842028 /nfs/dbraw/zinc/84/20/28/959842028.db2.gz KTXKXUREMBJAMF-UHFFFAOYSA-N 0 2 264.245 1.417 10 5 CDBELN O=C(Nc1ccc2ccccc2n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001351466470 966941770 /nfs/dbraw/zinc/94/17/70/966941770.db2.gz HBULFVMLLFBVTE-MWLCHTKSSA-N 0 2 257.249 1.839 10 5 CDBELN O=c1[nH]nc([C@H]2CCCN(c3sccc3[N+](=O)[O-])C2)[nH]1 ZINC000588045124 342491714 /nfs/dbraw/zinc/49/17/14/342491714.db2.gz VBCBAPUVVKZXPM-ZETCQYMHSA-N 0 2 295.324 1.864 10 5 CDBELN CC1(C)[C@@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436649735 398209338 /nfs/dbraw/zinc/20/93/38/398209338.db2.gz PXPCICWIJUVGBR-NSHDSACASA-N 0 2 280.280 1.286 10 5 CDBELN COCCC1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000591783513 342646471 /nfs/dbraw/zinc/64/64/71/342646471.db2.gz GJYMIMHBUFKVKC-UHFFFAOYSA-N 0 2 280.280 1.409 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600442941 342209057 /nfs/dbraw/zinc/20/90/57/342209057.db2.gz SLHZFJAIIMCNIQ-NMSKTSORSA-N 0 2 294.307 1.842 10 5 CDBELN CCC(O)(CC)CN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600765414 342247998 /nfs/dbraw/zinc/24/79/98/342247998.db2.gz BMGOYZQUCOEHOH-UHFFFAOYSA-N 0 2 296.323 1.924 10 5 CDBELN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cn[nH]c1 ZINC000436958015 362154298 /nfs/dbraw/zinc/15/42/98/362154298.db2.gz CEVOMEALQQQEGO-SSDOTTSWSA-N 0 2 276.252 1.515 10 5 CDBELN C[C@]12COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000598222626 343736945 /nfs/dbraw/zinc/73/69/45/343736945.db2.gz AYZJXCMTPWPMMS-XPTSAGLGSA-N 0 2 292.291 1.409 10 5 CDBELN CC12CC(C1)CN2C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598572624 343833043 /nfs/dbraw/zinc/83/30/43/343833043.db2.gz YEYONERTZVEHNK-UHFFFAOYSA-N 0 2 262.265 1.925 10 5 CDBELN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc1 ZINC000610356907 346260452 /nfs/dbraw/zinc/26/04/52/346260452.db2.gz GBEGBSYYEFHUCL-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN C[C@@H](F)CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436544615 358769068 /nfs/dbraw/zinc/76/90/68/358769068.db2.gz LMMHPKMPXWDKRU-SSDOTTSWSA-N 0 2 256.233 1.778 10 5 CDBELN Cn1ccnc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000382375351 359510313 /nfs/dbraw/zinc/51/03/13/359510313.db2.gz JTMSRMLZUIMIFO-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN Nc1cc(O)c(I)cc1[N+](=O)[O-] ZINC000575728500 374141528 /nfs/dbraw/zinc/14/15/28/374141528.db2.gz QIYVRUZISGURHC-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN COCCN(CCOC)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280684571 375014437 /nfs/dbraw/zinc/01/44/37/375014437.db2.gz BBFBUNHCZFLZBW-UHFFFAOYSA-N 0 2 298.295 1.035 10 5 CDBELN C[C@@H](O)C[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354611433 375734000 /nfs/dbraw/zinc/73/40/00/375734000.db2.gz INZUEZYYZJHBPD-HTQZYQBOSA-N 0 2 268.269 1.190 10 5 CDBELN CC[C@@H](O)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000450391939 251259286 /nfs/dbraw/zinc/25/92/86/251259286.db2.gz NWBUYNXLNVFYGS-MRVPVSSYSA-N 0 2 254.242 1.400 10 5 CDBELN CN(C[C@H]1CCC[C@H]1O)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281216646 390986531 /nfs/dbraw/zinc/98/65/31/390986531.db2.gz LYEMMWFZFNESHW-MWLCHTKSSA-N 0 2 294.307 1.533 10 5 CDBELN CO[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191455071 130238808 /nfs/dbraw/zinc/23/88/08/130238808.db2.gz OVGXWGZNVSQVGS-JGVFFNPUSA-N 0 2 268.269 1.454 10 5 CDBELN C[C@@H]1CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000310678422 149198247 /nfs/dbraw/zinc/19/82/47/149198247.db2.gz KAZPNTFPAMBRMT-VXNVDRBHSA-N 0 2 250.254 1.829 10 5 CDBELN C[C@@H](O)CC(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343764231 152294879 /nfs/dbraw/zinc/29/48/79/152294879.db2.gz KPRARJPPSSMAOT-SECBINFHSA-N 0 2 296.323 1.827 10 5 CDBELN CCOCCOCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000346871101 153335130 /nfs/dbraw/zinc/33/51/30/153335130.db2.gz IJERHKOHMIBCIX-UHFFFAOYSA-N 0 2 284.268 1.292 10 5 CDBELN CC[C@H](CCO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353934259 156170181 /nfs/dbraw/zinc/17/01/81/156170181.db2.gz PDEXODBTYFBRIW-SECBINFHSA-N 0 2 282.296 1.439 10 5 CDBELN CNc1ccc(S(=O)(=O)Nc2ccon2)cc1[N+](=O)[O-] ZINC000061684632 522637160 /nfs/dbraw/zinc/63/71/60/522637160.db2.gz UKZFYXMRDKQRMN-UHFFFAOYSA-N 0 2 298.280 1.425 10 5 CDBELN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1O ZINC000184809811 526510330 /nfs/dbraw/zinc/51/03/30/526510330.db2.gz MGJYLVOGPKXCQL-CABZTGNLSA-N 0 2 294.307 1.581 10 5 CDBELN CCOc1cc(Sc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000192752075 528333641 /nfs/dbraw/zinc/33/36/41/528333641.db2.gz UUULYGYIAMCNBJ-UHFFFAOYSA-N 0 2 282.281 1.968 10 5 CDBELN CC1(C)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000232964826 534930823 /nfs/dbraw/zinc/93/08/23/534930823.db2.gz QFUNDVRMASVIFK-SNVBAGLBSA-N 0 2 250.254 1.829 10 5 CDBELN Cn1ccsc1=NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788276658 631461397 /nfs/dbraw/zinc/46/13/97/631461397.db2.gz BXIRYCVXFOOOIC-UHFFFAOYSA-N 0 2 279.277 1.442 10 5 CDBELN O=C(N[C@@H]1COC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC001637150184 1166729654 /nfs/dbraw/zinc/72/96/54/1166729654.db2.gz JRKXBZPDXQBOQQ-NWDGAFQWSA-N 0 2 292.291 1.455 10 5 CDBELN CN(OCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000863844433 768876707 /nfs/dbraw/zinc/87/67/07/768876707.db2.gz FCXVUZHHBRSJHI-UHFFFAOYSA-N 0 2 294.185 1.866 10 5 CDBELN CCCOC(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000796236100 772094571 /nfs/dbraw/zinc/09/45/71/772094571.db2.gz YHWXSMDUXUZRJY-UHFFFAOYSA-N 0 2 296.279 1.374 10 5 CDBELN CN1CC[C@](C)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC001447268305 966737125 /nfs/dbraw/zinc/73/71/25/966737125.db2.gz PXQRERFIXCKPIQ-CYBMUJFWSA-N 0 2 293.279 1.107 10 5 CDBELN CCCC[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000592856059 342738354 /nfs/dbraw/zinc/73/83/54/342738354.db2.gz SAUCPXZCCAJHIA-CQSZACIVSA-N 0 2 296.323 1.971 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCOC1 ZINC000593814138 342838326 /nfs/dbraw/zinc/83/83/26/342838326.db2.gz HDHZECSLSQGULL-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN CN(CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(=O)C1CC1 ZINC000614271967 348051263 /nfs/dbraw/zinc/05/12/63/348051263.db2.gz HROZGEIVEQRHSN-UHFFFAOYSA-N 0 2 293.279 1.107 10 5 CDBELN CCn1nnc(C)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000294827710 199201333 /nfs/dbraw/zinc/20/13/33/199201333.db2.gz AECPNPPOXQUDRH-UHFFFAOYSA-N 0 2 291.267 1.473 10 5 CDBELN COC[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166142623 359698669 /nfs/dbraw/zinc/69/86/69/359698669.db2.gz MNCYARSZPIOWIE-ZETCQYMHSA-N 0 2 254.242 1.521 10 5 CDBELN CSCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166191191 359741083 /nfs/dbraw/zinc/74/10/83/359741083.db2.gz CNGPZWGLOAMSBS-UHFFFAOYSA-N 0 2 256.283 1.992 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000235353542 360048303 /nfs/dbraw/zinc/04/83/03/360048303.db2.gz DOMQZDDQZUTSST-MRVPVSSYSA-N 0 2 250.254 1.782 10 5 CDBELN O=c1[nH]nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)[nH]1 ZINC000194634176 238893440 /nfs/dbraw/zinc/89/34/40/238893440.db2.gz PRYCUMVMHJJRTF-UHFFFAOYSA-N 0 2 293.264 1.852 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000217315925 375612159 /nfs/dbraw/zinc/61/21/59/375612159.db2.gz DSIZIDZOSOELAG-AOOOYVTPSA-N 0 2 278.264 1.304 10 5 CDBELN CCO[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000457882928 391656868 /nfs/dbraw/zinc/65/68/68/391656868.db2.gz WHBLNNKTWXDYFT-WAAGHKOSSA-N 0 2 280.280 1.598 10 5 CDBELN CO[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000191453587 130237680 /nfs/dbraw/zinc/23/76/80/130237680.db2.gz AFICANBSCXKQIC-YUMQZZPRSA-N 0 2 268.269 1.454 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC[C@H]1CCO ZINC000448679084 393123435 /nfs/dbraw/zinc/12/34/35/393123435.db2.gz BRBDIBJKFWJAJN-JTQLQIEISA-N 0 2 294.307 1.678 10 5 CDBELN COCC1=CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000217316701 140162790 /nfs/dbraw/zinc/16/27/90/140162790.db2.gz FAGIWWAZOZTKMJ-UHFFFAOYSA-N 0 2 292.291 1.719 10 5 CDBELN CO[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000353708280 156030392 /nfs/dbraw/zinc/03/03/92/156030392.db2.gz IZCXFQLLTJWMEN-LBPRGKRZSA-N 0 2 282.296 1.701 10 5 CDBELN CO[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1C ZINC000456129803 294549224 /nfs/dbraw/zinc/54/92/24/294549224.db2.gz AYOCBFADSUCKRJ-CABZTGNLSA-N 0 2 294.307 1.797 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182142860 304534891 /nfs/dbraw/zinc/53/48/91/304534891.db2.gz BGEKSTMJFOZJCT-SLHIUPAKSA-N 0 2 292.291 1.428 10 5 CDBELN COC(=O)c1cccc(F)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841192212 779425881 /nfs/dbraw/zinc/42/58/81/779425881.db2.gz PAKNUMBGLYMTJD-VXNVDRBHSA-N 0 2 282.227 1.216 10 5 CDBELN Cc1nn(C)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316804 929904955 /nfs/dbraw/zinc/90/49/55/929904955.db2.gz DCTQCPBCTJTZIA-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001436376457 962220304 /nfs/dbraw/zinc/22/03/04/962220304.db2.gz LHLKWEZIWXWNFT-GMSGAONNSA-N 0 2 295.226 1.288 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001556080980 964996064 /nfs/dbraw/zinc/99/60/64/964996064.db2.gz BTCQGLIBEDGTQC-BGYSENGCSA-N 0 2 290.275 1.662 10 5 CDBELN COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nc1 ZINC000586789129 342469070 /nfs/dbraw/zinc/46/90/70/342469070.db2.gz BLKPUYIISLBHSQ-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593288424 342784180 /nfs/dbraw/zinc/78/41/80/342784180.db2.gz JSLHJHGOLSXDIX-KOLCDFICSA-N 0 2 294.307 1.843 10 5 CDBELN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593288424 342784181 /nfs/dbraw/zinc/78/41/81/342784181.db2.gz JSLHJHGOLSXDIX-KOLCDFICSA-N 0 2 294.307 1.843 10 5 CDBELN CN(CCCCO)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436883576 362049264 /nfs/dbraw/zinc/04/92/64/362049264.db2.gz BFOYTDONPMSODO-UHFFFAOYSA-N 0 2 268.269 1.145 10 5 CDBELN O=C(N[C@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000597920948 343671190 /nfs/dbraw/zinc/67/11/90/343671190.db2.gz UQLMRHCNBUMOOQ-LLVKDONJSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(N[C@@H](CO)C1CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597922596 343662478 /nfs/dbraw/zinc/66/24/78/343662478.db2.gz ZVIUBZOVGXVTBI-JTQLQIEISA-N 0 2 280.280 1.191 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)C1O ZINC000598185903 343730722 /nfs/dbraw/zinc/73/07/22/343730722.db2.gz IWOZMJPGKIQXBM-RKDXNWHRSA-N 0 2 294.307 1.389 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)O ZINC000613978624 347965611 /nfs/dbraw/zinc/96/56/11/347965611.db2.gz GXAACGBIMTWBPM-SSDOTTSWSA-N 0 2 268.269 1.190 10 5 CDBELN C[C@H]1SCC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000311831054 350723618 /nfs/dbraw/zinc/72/36/18/350723618.db2.gz GGBBFINGMDWXIZ-XCBNKYQSSA-N 0 2 282.321 1.924 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2nc[nH]c2n1 ZINC000166080050 359109006 /nfs/dbraw/zinc/10/90/06/359109006.db2.gz VAIIRBXQXQTPKE-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H](CCCO)C1 ZINC000457152454 365435173 /nfs/dbraw/zinc/43/51/73/365435173.db2.gz XLSUAANDQMIQQF-SNVBAGLBSA-N 0 2 294.307 1.535 10 5 CDBELN COC1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCCC1 ZINC000295793301 370644122 /nfs/dbraw/zinc/64/41/22/370644122.db2.gz ZEYFIAIPUXWQKI-UHFFFAOYSA-N 0 2 294.307 1.989 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000389529597 374919537 /nfs/dbraw/zinc/91/95/37/374919537.db2.gz RGVOZIGIAMYGLJ-RXMQYKEDSA-N 0 2 278.186 1.981 10 5 CDBELN CC(C)[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000427383913 247134565 /nfs/dbraw/zinc/13/45/65/247134565.db2.gz LPZLSXFFYBPRSF-ZDUSSCGKSA-N 0 2 282.296 1.437 10 5 CDBELN O=C(NC[C@H](CO)C1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000427869465 247206788 /nfs/dbraw/zinc/20/67/88/247206788.db2.gz CZDORQQUOOCODA-SECBINFHSA-N 0 2 280.280 1.049 10 5 CDBELN CCC(O)(CC)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355162857 375780367 /nfs/dbraw/zinc/78/03/67/375780367.db2.gz LNOXTJXINGKNFW-UHFFFAOYSA-N 0 2 296.323 1.971 10 5 CDBELN Cn1nccc1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000444371870 250130154 /nfs/dbraw/zinc/13/01/54/250130154.db2.gz NVDUXKNPIFGCQE-UHFFFAOYSA-N 0 2 276.252 1.215 10 5 CDBELN CCn1nccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000471928595 252834423 /nfs/dbraw/zinc/83/44/23/252834423.db2.gz RNRSTXVSYSIZEM-UHFFFAOYSA-N 0 2 296.308 1.612 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)[C@H](C)O1 ZINC000438417991 392076528 /nfs/dbraw/zinc/07/65/28/392076528.db2.gz IBEATMRJFNWDIK-BBBLOLIVSA-N 0 2 294.307 1.938 10 5 CDBELN CC[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000421986148 392948691 /nfs/dbraw/zinc/94/86/91/392948691.db2.gz KARKAOVHWSUDJS-GXSJLCMTSA-N 0 2 294.307 1.988 10 5 CDBELN O=c1[nH]nc(SCCOc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000187646809 140082005 /nfs/dbraw/zinc/08/20/05/140082005.db2.gz BVUSDQRVQNDHGI-UHFFFAOYSA-N 0 2 282.281 1.590 10 5 CDBELN Cc1n[nH]cc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235807376 140237398 /nfs/dbraw/zinc/23/73/98/140237398.db2.gz JMFWNMQNLIDDFB-UHFFFAOYSA-N 0 2 276.252 1.262 10 5 CDBELN CCC[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354057819 156243544 /nfs/dbraw/zinc/24/35/44/156243544.db2.gz AGBLYRMTWVCBDC-SECBINFHSA-N 0 2 268.269 1.191 10 5 CDBELN CC[C@@]1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330621908 287420769 /nfs/dbraw/zinc/42/07/69/287420769.db2.gz NATQCKOBIKIAFE-AWEZNQCLSA-N 0 2 294.307 1.942 10 5 CDBELN CCOC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000399970670 270376309 /nfs/dbraw/zinc/37/63/09/270376309.db2.gz DWAALBHYDRGOCS-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN O=C(NCc1cccc(=O)[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552408850 290069008 /nfs/dbraw/zinc/06/90/08/290069008.db2.gz CCWFCUUSOFZNJQ-UHFFFAOYSA-N 0 2 289.247 1.331 10 5 CDBELN C[C@@H]1COCC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336831531 297144869 /nfs/dbraw/zinc/14/48/69/297144869.db2.gz PZIZXVGNZQRNEV-LDYMZIIASA-N 0 2 280.280 1.455 10 5 CDBELN C[C@H]1[C@@H](O)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000297003622 300685904 /nfs/dbraw/zinc/68/59/04/300685904.db2.gz RVFWETHEAOBTGE-KWQFWETISA-N 0 2 280.280 1.286 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)CO ZINC000184879712 525333718 /nfs/dbraw/zinc/33/37/18/525333718.db2.gz ZSCSUAYAUQXJRM-HTQZYQBOSA-N 0 2 268.269 1.047 10 5 CDBELN O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1[nH]cc[nH+]1 ZINC000731156413 575036190 /nfs/dbraw/zinc/03/61/90/575036190.db2.gz DTDRVGXOVKELBG-OWOJBTEDSA-N 0 2 260.209 1.582 10 5 CDBELN C[C@@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000903826682 626104866 /nfs/dbraw/zinc/10/48/66/626104866.db2.gz VDOLFNQBYPVUSC-BGZDPUMWSA-N 0 2 253.258 1.485 10 5 CDBELN CC[C@@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000709060947 899492760 /nfs/dbraw/zinc/49/27/60/899492760.db2.gz NSBITLOCUDPLLG-SECBINFHSA-N 0 2 281.268 1.154 10 5 CDBELN CO[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCSC1 ZINC001556080962 964992275 /nfs/dbraw/zinc/99/22/75/964992275.db2.gz ARJFRBDZHCKLIB-GFCCVEGCSA-N 0 2 298.320 1.761 10 5 CDBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)C1O ZINC000598190254 343731874 /nfs/dbraw/zinc/73/18/74/343731874.db2.gz SHXDPCKRGCVFOJ-IUCAKERBSA-N 0 2 294.307 1.389 10 5 CDBELN O=c1cc(C[C@H]2CCCO2)[nH]n1-c1ccc([N+](=O)[O-])cn1 ZINC000601934052 344285570 /nfs/dbraw/zinc/28/55/70/344285570.db2.gz XHVAWIWFEYYHTN-LLVKDONJSA-N 0 2 290.279 1.652 10 5 CDBELN CC1(C)COCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000619879855 350869499 /nfs/dbraw/zinc/86/94/99/350869499.db2.gz RBIBYPZTXQEVKB-UHFFFAOYSA-N 0 2 266.253 1.509 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000236617371 363283860 /nfs/dbraw/zinc/28/38/60/363283860.db2.gz BDNJKPZFICIHFH-QWHCGFSZSA-N 0 2 292.291 1.694 10 5 CDBELN Cc1ncoc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361658262 358408324 /nfs/dbraw/zinc/40/83/24/358408324.db2.gz FFFKIMCHAZKFRC-UHFFFAOYSA-N 0 2 263.209 1.849 10 5 CDBELN C[C@@H]1CC[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1 ZINC000166119721 359668120 /nfs/dbraw/zinc/66/81/20/359668120.db2.gz RWELWGAODUYAOO-RDDDGLTNSA-N 0 2 266.253 1.806 10 5 CDBELN C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000235681603 360595551 /nfs/dbraw/zinc/59/55/51/360595551.db2.gz QPQIDUWKBMSJBD-IUCAKERBSA-N 0 2 280.280 1.598 10 5 CDBELN CC[C@](C)(O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280769989 375020056 /nfs/dbraw/zinc/02/00/56/375020056.db2.gz MKKKGIMWGIYJIG-LBPRGKRZSA-N 0 2 268.269 1.191 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](CCO)C1 ZINC000227404540 375520604 /nfs/dbraw/zinc/52/06/04/375520604.db2.gz LXQDGMAOYSYKCU-SNVBAGLBSA-N 0 2 294.307 1.535 10 5 CDBELN COc1ccnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000354522946 375720200 /nfs/dbraw/zinc/72/02/00/375720200.db2.gz TXNJGRFZNHMTPK-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2C[C@H]1CS2 ZINC000458333171 252546968 /nfs/dbraw/zinc/54/69/68/252546968.db2.gz MPGDKVYLGMEBTG-IUCAKERBSA-N 0 2 280.305 1.630 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]1C1CC1 ZINC000452503341 252080662 /nfs/dbraw/zinc/08/06/62/252080662.db2.gz SSBBKEBNPSXVAF-SNVBAGLBSA-N 0 2 262.265 1.925 10 5 CDBELN CO[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000188283807 390954194 /nfs/dbraw/zinc/95/41/94/390954194.db2.gz SDIMECGOMQEERR-WPRPVWTQSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@@H]1C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000527179816 392975656 /nfs/dbraw/zinc/97/56/56/392975656.db2.gz DEGVKHYTFYGIQO-OCAPTIKFSA-N 0 2 250.254 1.923 10 5 CDBELN CCOC(=O)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315786 140163363 /nfs/dbraw/zinc/16/33/63/140163363.db2.gz FAHPWUXIUMGUCZ-UHFFFAOYSA-N 0 2 296.279 1.374 10 5 CDBELN CC(C)n1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1 ZINC000343885873 152340537 /nfs/dbraw/zinc/34/05/37/152340537.db2.gz ZBALDRKYGOAVLR-UHFFFAOYSA-N 0 2 291.267 1.725 10 5 CDBELN C[C@@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000353711045 156031997 /nfs/dbraw/zinc/03/19/97/156031997.db2.gz LZMUEMNZCPLWRW-CYBMUJFWSA-N 0 2 280.280 1.191 10 5 CDBELN Cc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC000045784114 175383669 /nfs/dbraw/zinc/38/36/69/175383669.db2.gz ACPGHGZAXFJKLK-BDAKNGLRSA-N 0 2 266.301 1.550 10 5 CDBELN CCC[C@H](C)[C@@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000569612693 316815648 /nfs/dbraw/zinc/81/56/48/316815648.db2.gz GISPOWGZHCBTAA-GXSJLCMTSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccncc1 ZINC000183898745 323350346 /nfs/dbraw/zinc/35/03/46/323350346.db2.gz VENYTTGTEBJYCL-UHFFFAOYSA-N 0 2 259.221 1.948 10 5 CDBELN CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000579723309 324266559 /nfs/dbraw/zinc/26/65/59/324266559.db2.gz BNUSWXPYEDQLCN-MWLCHTKSSA-N 0 2 296.323 1.827 10 5 CDBELN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000428571508 535700138 /nfs/dbraw/zinc/70/01/38/535700138.db2.gz FPRMUGJROLJBHX-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN CC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000413978496 535883587 /nfs/dbraw/zinc/88/35/87/535883587.db2.gz PRDPNNARHKKYEO-GWCFXTLKSA-N 0 2 296.323 1.826 10 5 CDBELN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc2cc[nH]c21 ZINC000870816272 1165219466 /nfs/dbraw/zinc/21/94/66/1165219466.db2.gz IIDINJVSZAUFDX-MWLCHTKSSA-N 0 2 259.265 1.796 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@H](O)C1 ZINC001138013558 936454571 /nfs/dbraw/zinc/45/45/71/936454571.db2.gz QFRUZRDMXWOIIK-WRXNHJIOSA-N 0 2 252.226 1.010 10 5 CDBELN O=C(Nc1cnc2ccnn2c1)c1ccc([N+](=O)[O-])cc1O ZINC001457094817 969104024 /nfs/dbraw/zinc/10/40/24/969104024.db2.gz CHDYXDNQKAUWSX-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ncc[nH]1 ZINC001457812473 969223120 /nfs/dbraw/zinc/22/31/20/969223120.db2.gz PZCXNTLHHWRNRJ-ZETCQYMHSA-N 0 2 276.252 1.515 10 5 CDBELN O=C(N[C@H]1CCC[C@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586522601 342465056 /nfs/dbraw/zinc/46/50/56/342465056.db2.gz AMYQEZPSBKOJCC-IUCAKERBSA-N 0 2 280.280 1.334 10 5 CDBELN CCOC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000593755090 342833210 /nfs/dbraw/zinc/83/32/10/342833210.db2.gz WMUBOARJJJZTBA-UHFFFAOYSA-N 0 2 294.307 1.942 10 5 CDBELN CC1(F)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000619419279 349694689 /nfs/dbraw/zinc/69/46/89/349694689.db2.gz IPSOGYMBDUOIOE-UHFFFAOYSA-N 0 2 254.217 1.484 10 5 CDBELN COC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436903144 362099578 /nfs/dbraw/zinc/09/95/78/362099578.db2.gz HMAAZZNFJKWVNU-SECBINFHSA-N 0 2 266.253 1.161 10 5 CDBELN O=c1cc(/C=C\c2cc(O)ccc2[N+](=O)[O-])nc2nc[nH]n21 ZINC000436935289 362141065 /nfs/dbraw/zinc/14/10/65/362141065.db2.gz WAEAAAFQRVXGDC-UPHRSURJSA-N 0 2 299.246 1.202 10 5 CDBELN C[C@@]12COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000598222624 343736940 /nfs/dbraw/zinc/73/69/40/343736940.db2.gz AYZJXCMTPWPMMS-LKFCYVNXSA-N 0 2 292.291 1.409 10 5 CDBELN CC1(C)OCc2[nH]n(-c3cccc([N+](=O)[O-])c3)c(=O)c21 ZINC000601933011 344285189 /nfs/dbraw/zinc/28/51/89/344285189.db2.gz WYIAYDXDPFFMMM-LLVKDONJSA-N 0 2 275.264 1.722 10 5 CDBELN CC1(C)OCc2[nH]n(-c3ccc([N+](=O)[O-])cc3F)c(=O)c21 ZINC000601944155 344289751 /nfs/dbraw/zinc/28/97/51/344289751.db2.gz USYCKILTSHYSOA-LLVKDONJSA-N 0 2 293.254 1.862 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn2ncccc12 ZINC000618020007 346242866 /nfs/dbraw/zinc/24/28/66/346242866.db2.gz FEVWRCRNWDYVSX-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN Cc1cc(CN(C)C(=O)c2cccc(O)c2[N+](=O)[O-])no1 ZINC000341289290 357219772 /nfs/dbraw/zinc/21/97/72/357219772.db2.gz GTGQSIUFAUVRQZ-UHFFFAOYSA-N 0 2 291.263 1.869 10 5 CDBELN C[C@@H]1[C@H](C)OCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283562781 357574144 /nfs/dbraw/zinc/57/41/44/357574144.db2.gz VTWWGSRSDKUCCH-BDAKNGLRSA-N 0 2 280.280 1.550 10 5 CDBELN O=[N+]([O-])c1ccc(O)c(-c2nc(-c3cnccn3)n[nH]2)c1 ZINC000034818727 363606898 /nfs/dbraw/zinc/60/68/98/363606898.db2.gz KTZQUBYNSYWVKG-UHFFFAOYSA-N 0 2 284.235 1.543 10 5 CDBELN CCC[C@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000573127111 365235681 /nfs/dbraw/zinc/23/56/81/365235681.db2.gz UFZQPSWUSGDVBO-CABZTGNLSA-N 0 2 296.323 1.827 10 5 CDBELN CCOC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272461713 367738118 /nfs/dbraw/zinc/73/81/18/367738118.db2.gz XWOFXZWYWGOXTA-UHFFFAOYSA-N 0 2 296.279 1.372 10 5 CDBELN CC(=O)OC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000277122024 374771651 /nfs/dbraw/zinc/77/16/51/374771651.db2.gz STUNXQYRLRFFNL-UHFFFAOYSA-N 0 2 282.252 1.581 10 5 CDBELN CN(CC1(O)CCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000330450273 374853014 /nfs/dbraw/zinc/85/30/14/374853014.db2.gz JNJDBEDKWGPFEU-UHFFFAOYSA-N 0 2 294.307 1.678 10 5 CDBELN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCOC1 ZINC000162619277 375390275 /nfs/dbraw/zinc/39/02/75/375390275.db2.gz ZYWOZOKYHZNIPG-VIFPVBQESA-N 0 2 266.253 1.161 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000354640362 375737293 /nfs/dbraw/zinc/73/72/93/375737293.db2.gz DNFAWFZNFBUNTN-ZJUUUORDSA-N 0 2 294.307 1.845 10 5 CDBELN CO[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000188283787 391322498 /nfs/dbraw/zinc/32/24/98/391322498.db2.gz SDIMECGOMQEERR-WCBMZHEXSA-N 0 2 280.280 1.598 10 5 CDBELN Cc1noc(CSc2n[nH]c(=O)[nH]2)c1[N+](=O)[O-] ZINC000596025455 392609540 /nfs/dbraw/zinc/60/95/40/392609540.db2.gz XVWDRIIIBGVYCC-UHFFFAOYSA-N 0 2 257.231 1.007 10 5 CDBELN CO[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316907 140163359 /nfs/dbraw/zinc/16/33/59/140163359.db2.gz NCRXKHMPCCESRY-SECBINFHSA-N 0 2 266.253 1.161 10 5 CDBELN C[C@H](O)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316327 140163534 /nfs/dbraw/zinc/16/35/34/140163534.db2.gz QUXQRGKHFDJDAX-DTWKUNHWSA-N 0 2 280.280 1.143 10 5 CDBELN Cn1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000236093723 140238602 /nfs/dbraw/zinc/23/86/02/140238602.db2.gz RDRXWASRRZIYAU-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN CCC[C@@H](CCO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354056255 156243388 /nfs/dbraw/zinc/24/33/88/156243388.db2.gz GBTAUVKDIIMRRS-JTQLQIEISA-N 0 2 296.323 1.829 10 5 CDBELN O=C([O-])C1C[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000071173914 176053585 /nfs/dbraw/zinc/05/35/85/176053585.db2.gz NHLOPOSHPQLZGQ-UHFFFAOYSA-N 0 2 270.672 1.765 10 5 CDBELN Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000071276317 176107513 /nfs/dbraw/zinc/10/75/13/176107513.db2.gz FLWCJJASCWIZSK-UHFFFAOYSA-N 0 2 276.252 1.639 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H]2CCC[C@@H]21 ZINC000523407633 260221287 /nfs/dbraw/zinc/22/12/87/260221287.db2.gz JUGUWAFLPZNRBB-ZJUUUORDSA-N 0 2 262.265 1.925 10 5 CDBELN O=c1[nH]nc(Sc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000192752097 534883347 /nfs/dbraw/zinc/88/33/47/534883347.db2.gz XHBIYZBHAHLHCE-UHFFFAOYSA-N 0 2 256.218 1.709 10 5 CDBELN Cc1cc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc(Cl)n2n1 ZINC001131438547 1162902903 /nfs/dbraw/zinc/90/29/03/1162902903.db2.gz WIRLISJLIVMQLQ-RNFRBKRXSA-N 0 2 295.686 1.295 10 5 CDBELN CCO/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001633355033 1166417877 /nfs/dbraw/zinc/41/78/77/1166417877.db2.gz DIHSLAACEFUWBL-AATRIKPKSA-N 0 2 252.226 1.789 10 5 CDBELN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(F)c2O)n1 ZINC001639451408 1166941384 /nfs/dbraw/zinc/94/13/84/1166941384.db2.gz GEMPGTLSVMXPTQ-UHFFFAOYSA-N 0 2 298.205 1.564 10 5 CDBELN O=C(Nc1ccnc(CO)c1)c1ccc([N+](=O)[O-])cc1O ZINC000776183253 788866954 /nfs/dbraw/zinc/86/69/54/788866954.db2.gz SAGULBNMUNFXFI-UHFFFAOYSA-N 0 2 289.247 1.440 10 5 CDBELN CC[C@H](O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001632236374 1166337874 /nfs/dbraw/zinc/33/78/74/1166337874.db2.gz LVIPIMGLPUTFKI-XCBNKYQSSA-N 0 2 268.269 1.646 10 5 CDBELN O=C(NCc1ccon1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316017 929904660 /nfs/dbraw/zinc/90/46/60/929904660.db2.gz QQGIFKYCWWPRNH-UHFFFAOYSA-N 0 2 263.209 1.218 10 5 CDBELN Cc1oc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1CO ZINC001556081478 964994346 /nfs/dbraw/zinc/99/43/46/964994346.db2.gz YSIQWVNWSSTDHO-UHFFFAOYSA-N 0 2 292.247 1.946 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2ncccc2C1 ZINC000611535653 346815232 /nfs/dbraw/zinc/81/52/32/346815232.db2.gz ALJBXDKESCMRKY-UHFFFAOYSA-N 0 2 299.286 1.894 10 5 CDBELN C[C@@H](CO)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000126905627 187269788 /nfs/dbraw/zinc/26/97/88/187269788.db2.gz LCYFWMVNXHXKOQ-YUMQZZPRSA-N 0 2 268.269 1.047 10 5 CDBELN C[C@]12COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000598232349 343739496 /nfs/dbraw/zinc/73/94/96/343739496.db2.gz PPIDVQCZYSMPAP-HZMBPMFUSA-N 0 2 292.291 1.409 10 5 CDBELN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnoc1 ZINC000604542405 344899580 /nfs/dbraw/zinc/89/95/80/344899580.db2.gz SILMQTKIGNEPDP-UHFFFAOYSA-N 0 2 283.265 1.692 10 5 CDBELN C[C@H](CC(C)(C)O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000456094679 363234737 /nfs/dbraw/zinc/23/47/37/363234737.db2.gz KTRTVGLXCAISQE-MRVPVSSYSA-N 0 2 282.296 1.580 10 5 CDBELN COC[C@]1(C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000381749595 361273495 /nfs/dbraw/zinc/27/34/95/361273495.db2.gz NGJBPINQHWIZGX-CQSZACIVSA-N 0 2 294.307 1.799 10 5 CDBELN C[C@H]1[C@H](O)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000385269404 370411705 /nfs/dbraw/zinc/41/17/05/370411705.db2.gz ZSAPGDONRQSSDE-GZMMTYOYSA-N 0 2 280.280 1.286 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000389529598 374919515 /nfs/dbraw/zinc/91/95/15/374919515.db2.gz RGVOZIGIAMYGLJ-YFKPBYRVSA-N 0 2 278.186 1.981 10 5 CDBELN CC[C@@H](COC)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280683992 375013992 /nfs/dbraw/zinc/01/39/92/375013992.db2.gz CRGIUYLKRAQTAP-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000341133408 391189963 /nfs/dbraw/zinc/18/99/63/391189963.db2.gz HIDGNEOZKVWINO-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)[C@H](C)O1 ZINC000438408740 392072224 /nfs/dbraw/zinc/07/22/24/392072224.db2.gz DVJSCWFLOZPWAR-BBBLOLIVSA-N 0 2 294.307 1.938 10 5 CDBELN CCOC(=O)C[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354089028 156265072 /nfs/dbraw/zinc/26/50/72/156265072.db2.gz WIRJDVSRTZVMBJ-QMMMGPOBSA-N 0 2 296.279 1.372 10 5 CDBELN C[C@@H]1CC[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000422024455 296739658 /nfs/dbraw/zinc/73/96/58/296739658.db2.gz DULVIGCMLXSELB-SCZZXKLOSA-N 0 2 280.280 1.286 10 5 CDBELN O=C([O-])/C=C/c1cc([N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC000020527211 171240203 /nfs/dbraw/zinc/24/02/03/171240203.db2.gz ZPGHUWYIPRVPLE-DAFODLJHSA-N 0 2 259.221 1.878 10 5 CDBELN CCC[C@H](NCc1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000044928277 175278687 /nfs/dbraw/zinc/27/86/87/175278687.db2.gz XLVQXJXHVQYZNX-NSHDSACASA-N 0 2 276.300 1.739 10 5 CDBELN O=c1[nH]nc(Sc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000192752003 227280258 /nfs/dbraw/zinc/28/02/58/227280258.db2.gz ZELQLUYQCQTYSH-UHFFFAOYSA-N 0 2 256.218 1.709 10 5 CDBELN CO[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375998484 294520605 /nfs/dbraw/zinc/52/06/05/294520605.db2.gz KKLIJGVFHNWLGE-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN C[C@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000363692560 300007081 /nfs/dbraw/zinc/00/70/81/300007081.db2.gz IAINWGUPMRMFDH-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CS1 ZINC000413957143 300435100 /nfs/dbraw/zinc/43/51/00/300435100.db2.gz NFMHKSZIBOOYDM-JGVFFNPUSA-N 0 2 282.321 1.924 10 5 CDBELN Cn1cccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183897722 323350331 /nfs/dbraw/zinc/35/03/31/323350331.db2.gz MXMMQVARCBOMQK-UHFFFAOYSA-N 0 2 261.237 1.891 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000340734666 526625808 /nfs/dbraw/zinc/62/58/08/526625808.db2.gz BUMIQYOQKKEIJO-UHFFFAOYSA-N 0 2 280.280 1.145 10 5 CDBELN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)O1 ZINC001635585544 1166598906 /nfs/dbraw/zinc/59/89/06/1166598906.db2.gz CSMUBRFWHQOIOG-XLDPMVHQSA-N 0 2 280.280 1.596 10 5 CDBELN O=C(NCc1cnccn1)c1ccc([N+](=O)[O-])cc1O ZINC001648764439 1169157402 /nfs/dbraw/zinc/15/74/02/1169157402.db2.gz YHASHLOFWIIZSQ-UHFFFAOYSA-N 0 2 274.236 1.020 10 5 CDBELN O=C(NOCCC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000817441478 790831189 /nfs/dbraw/zinc/83/11/89/790831189.db2.gz HGHFTDULEZDSPN-UHFFFAOYSA-N 0 2 266.253 1.762 10 5 CDBELN Cn1cc([N+](=O)[O-])c(C(=O)Nc2c(F)ccnc2F)n1 ZINC001274532627 931507212 /nfs/dbraw/zinc/50/72/12/931507212.db2.gz DSBDZQBVFHEQFY-UHFFFAOYSA-N 0 2 283.194 1.254 10 5 CDBELN Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])[nH+]c1C ZINC001294519231 954518931 /nfs/dbraw/zinc/51/89/31/954518931.db2.gz JCRNTIYDTMTCAO-UHFFFAOYSA-N 0 2 290.279 1.570 10 5 CDBELN O=C(Nc1c(F)cccc1-n1cccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001521160899 970265668 /nfs/dbraw/zinc/26/56/68/970265668.db2.gz AKCRRZWCRQQQEC-LDYMZIIASA-N 0 2 290.254 1.615 10 5 CDBELN CC[C@@H](C)C[C@@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592874192 342742734 /nfs/dbraw/zinc/74/27/34/342742734.db2.gz PIZPBDDONYPMEX-ZJUUUORDSA-N 0 2 296.323 1.827 10 5 CDBELN O=[N+]([O-])C[C@](O)(c1ccc(F)cc1)C(F)(F)F ZINC000214207296 342200711 /nfs/dbraw/zinc/20/07/11/342200711.db2.gz GZGAOUQXTAXTGE-QMMMGPOBSA-N 0 2 253.151 1.852 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600442945 342209029 /nfs/dbraw/zinc/20/90/29/342209029.db2.gz SLHZFJAIIMCNIQ-YDEXJTGXSA-N 0 2 294.307 1.842 10 5 CDBELN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600521005 342229800 /nfs/dbraw/zinc/22/98/00/342229800.db2.gz SKEUUCGJPADRRH-ZWNOBZJWSA-N 0 2 292.291 1.598 10 5 CDBELN CO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000600771005 342248934 /nfs/dbraw/zinc/24/89/34/342248934.db2.gz BMUDBXSVVRPOHT-ZKCHVHJHSA-N 0 2 266.253 1.208 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC(C(F)(F)F)C1 ZINC000597312530 343508977 /nfs/dbraw/zinc/50/89/77/343508977.db2.gz LHEJEKCLZMWSKN-UHFFFAOYSA-N 0 2 290.197 1.935 10 5 CDBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)C1O ZINC000598185901 343730731 /nfs/dbraw/zinc/73/07/31/343730731.db2.gz IWOZMJPGKIQXBM-IUCAKERBSA-N 0 2 294.307 1.389 10 5 CDBELN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000598314197 343764398 /nfs/dbraw/zinc/76/43/98/343764398.db2.gz WFUKHPFFLVKDBA-NWDGAFQWSA-N 0 2 292.291 1.334 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]2COC[C@@H]2C1 ZINC000598392935 343784237 /nfs/dbraw/zinc/78/42/37/343784237.db2.gz IQXRZQVHCMRNPX-ZJUUUORDSA-N 0 2 292.291 1.409 10 5 CDBELN COc1c2c(ccc1[N+](=O)[O-])[C@]1(CC2)OC(=O)NC1=O ZINC000584649210 346506623 /nfs/dbraw/zinc/50/66/23/346506623.db2.gz XZUULFDNUXQMHY-LBPRGKRZSA-N 0 2 278.220 1.011 10 5 CDBELN O=C(Nc1nc2cccnc2[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354713052 304016460 /nfs/dbraw/zinc/01/64/60/304016460.db2.gz VSCXVYXFIHXORO-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN COCCOCCN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000291958090 198117144 /nfs/dbraw/zinc/11/71/44/198117144.db2.gz RQEJHCOXVLRDHW-UHFFFAOYSA-N 0 2 298.295 1.035 10 5 CDBELN CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)COC1 ZINC000182011401 357399137 /nfs/dbraw/zinc/39/91/37/357399137.db2.gz DDQNRPKEKUYLSE-UHFFFAOYSA-N 0 2 266.253 1.067 10 5 CDBELN CCn1nnc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000297495098 200210023 /nfs/dbraw/zinc/21/00/23/200210023.db2.gz MTROKYSYBAKZOD-UHFFFAOYSA-N 0 2 291.267 1.473 10 5 CDBELN C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330367742 367676962 /nfs/dbraw/zinc/67/69/62/367676962.db2.gz FIPJYNWYDACDQS-UWVGGRQHSA-N 0 2 294.307 1.676 10 5 CDBELN C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000385109505 368098705 /nfs/dbraw/zinc/09/87/05/368098705.db2.gz CQTSMPWGQYTIFL-PRHODGIISA-N 0 2 280.280 1.286 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(OC(F)F)C1 ZINC000355101148 375776183 /nfs/dbraw/zinc/77/61/83/375776183.db2.gz GNOSDBZTBGXYPV-UHFFFAOYSA-N 0 2 288.206 1.364 10 5 CDBELN COc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c(OC)c1 ZINC000069873949 379004142 /nfs/dbraw/zinc/00/41/42/379004142.db2.gz ZROHZYNMPQAWBH-NXEZZACHSA-N 0 2 291.263 1.886 10 5 CDBELN O=C(NC[C@H]1CCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561604 140241621 /nfs/dbraw/zinc/24/16/21/140241621.db2.gz KLWYSBUBVWRERK-MRVPVSSYSA-N 0 2 266.253 1.067 10 5 CDBELN O=C(NCc1ncccc1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000352518487 155244989 /nfs/dbraw/zinc/24/49/89/155244989.db2.gz XIRSKQVFFJXRNT-UHFFFAOYSA-N 0 2 289.247 1.331 10 5 CDBELN Cn1ccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000346324326 153140098 /nfs/dbraw/zinc/14/00/98/153140098.db2.gz KMVKCRIJQKXLKS-UHFFFAOYSA-N 0 2 290.279 1.605 10 5 CDBELN Cc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000004963585 170046149 /nfs/dbraw/zinc/04/61/49/170046149.db2.gz PDUOUFIGKOACKP-UHFFFAOYSA-N 0 2 299.333 1.582 10 5 CDBELN CC(C)(O)[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000330673641 278652039 /nfs/dbraw/zinc/65/20/39/278652039.db2.gz PPKBTIJIOZSADG-LLVKDONJSA-N 0 2 294.307 1.676 10 5 CDBELN C[C@H]1CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235553942 280127462 /nfs/dbraw/zinc/12/74/62/280127462.db2.gz XKHASCQWMPPLIE-QMMMGPOBSA-N 0 2 250.254 1.925 10 5 CDBELN C[C@H](O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000560206314 290477629 /nfs/dbraw/zinc/47/76/29/290477629.db2.gz DZFKTJJZZQTMNJ-VHSXEESVSA-N 0 2 294.307 1.533 10 5 CDBELN CCC[C@H](C)[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000570168915 316924871 /nfs/dbraw/zinc/92/48/71/316924871.db2.gz PTSIFLSIZNEMCF-CABZTGNLSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@H](CO)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184879750 524573740 /nfs/dbraw/zinc/57/37/40/524573740.db2.gz ZSCSUAYAUQXJRM-SFYZADRCSA-N 0 2 268.269 1.047 10 5 CDBELN O=C(Nc1c[nH]nc1-c1ccccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001634292591 1166486173 /nfs/dbraw/zinc/48/61/73/1166486173.db2.gz SVGXMCKMKOLHJE-LDYMZIIASA-N 0 2 290.254 1.820 10 5 CDBELN O=C(C[C@@H]1CCC(=O)NC1)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881720 1166796242 /nfs/dbraw/zinc/79/62/42/1166796242.db2.gz PAYGSAUOZFNVAH-QMMMGPOBSA-N 0 2 293.279 1.155 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001610896394 1165475621 /nfs/dbraw/zinc/47/56/21/1165475621.db2.gz UGTBFXZYINMZIS-HFKOZYHYSA-N 0 2 276.248 1.464 10 5 CDBELN O=C(NOCCO)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001138491309 936541791 /nfs/dbraw/zinc/54/17/91/936541791.db2.gz XVMNMUSAXYZBOL-UHFFFAOYSA-N 0 2 280.280 1.057 10 5 CDBELN COc1nn(C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001447262293 966734759 /nfs/dbraw/zinc/73/47/59/966734759.db2.gz ICSOTBYROAWBHQ-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1n[nH]cc1F ZINC001447260757 966736031 /nfs/dbraw/zinc/73/60/31/966736031.db2.gz FWMQDGQYINYLHM-UHFFFAOYSA-N 0 2 266.188 1.415 10 5 CDBELN O=C(N[C@@H]1CCC[C@@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586522602 342464978 /nfs/dbraw/zinc/46/49/78/342464978.db2.gz AMYQEZPSBKOJCC-RKDXNWHRSA-N 0 2 280.280 1.334 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1nncs1 ZINC000586807832 342470278 /nfs/dbraw/zinc/47/02/78/342470278.db2.gz IUBOZSCZYJSQCM-UHFFFAOYSA-N 0 2 280.265 1.429 10 5 CDBELN C[C@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)O1 ZINC000598211861 343734052 /nfs/dbraw/zinc/73/40/52/343734052.db2.gz HLKXNTKWSMIQBZ-ONGXEEELSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(N[C@@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000603920470 344845727 /nfs/dbraw/zinc/84/57/27/344845727.db2.gz ILMLEENIHYVKOE-NXEZZACHSA-N 0 2 280.280 1.334 10 5 CDBELN O=C([O-])Cc1c[nH+]cn1Cc1ccc([N+](=O)[O-])cc1 ZINC000090694270 180026475 /nfs/dbraw/zinc/02/64/75/180026475.db2.gz GDULZAAHMVVCEK-UHFFFAOYSA-N 0 2 261.237 1.467 10 5 CDBELN Cn1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000342693303 359820282 /nfs/dbraw/zinc/82/02/82/359820282.db2.gz CDBAKSSATMHXMK-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353232451 375589390 /nfs/dbraw/zinc/58/93/90/375589390.db2.gz LGHOQIVNFXINJK-NXEZZACHSA-N 0 2 294.307 1.581 10 5 CDBELN COCC[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280865785 195006335 /nfs/dbraw/zinc/00/63/35/195006335.db2.gz DWEZTDBPXPSSGY-MRVPVSSYSA-N 0 2 268.269 1.455 10 5 CDBELN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1O ZINC000425165875 392990752 /nfs/dbraw/zinc/99/07/52/392990752.db2.gz XZHVRHVLDWTYAB-AYMMMOKOSA-N 0 2 262.265 1.829 10 5 CDBELN Cc1ncc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000352583925 155285073 /nfs/dbraw/zinc/28/50/73/155285073.db2.gz RGFGCHUIZYTGDL-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN CCC[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354057820 156243625 /nfs/dbraw/zinc/24/36/25/156243625.db2.gz AGBLYRMTWVCBDC-VIFPVBQESA-N 0 2 268.269 1.191 10 5 CDBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2)s1 ZINC000077165970 177229346 /nfs/dbraw/zinc/22/93/46/177229346.db2.gz DKSVMSVVCKKRRQ-UHFFFAOYSA-N 0 2 285.306 1.852 10 5 CDBELN CC1(C)C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000217316276 281354527 /nfs/dbraw/zinc/35/45/27/281354527.db2.gz QQJWUNQZZYVGLG-SECBINFHSA-N 0 2 294.307 1.988 10 5 CDBELN CC1(C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556861750 290311686 /nfs/dbraw/zinc/31/16/86/290311686.db2.gz LIPUCWCZTLNQFA-UHFFFAOYSA-N 0 2 250.254 1.925 10 5 CDBELN C[C@@H]1C[C@@H](CO)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000421972875 297256145 /nfs/dbraw/zinc/25/61/45/297256145.db2.gz STEHAIBULMFJED-NXEZZACHSA-N 0 2 294.307 1.391 10 5 CDBELN C[C@H]1[C@H](O)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297052165 300709433 /nfs/dbraw/zinc/70/94/33/300709433.db2.gz VQXIOLZXQMQBOR-WCBMZHEXSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(N[C@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000182133555 303954739 /nfs/dbraw/zinc/95/47/39/303954739.db2.gz LCPVRZBJZUQKGC-CMPLNLGQSA-N 0 2 280.280 1.334 10 5 CDBELN COc1ncccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183897897 323350122 /nfs/dbraw/zinc/35/01/22/323350122.db2.gz HNJVOCHXKNBDQF-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)O1 ZINC001635585541 1166598297 /nfs/dbraw/zinc/59/82/97/1166598297.db2.gz CSMUBRFWHQOIOG-FYBVGQRMSA-N 0 2 280.280 1.596 10 5 CDBELN COCCONC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000866358657 811423740 /nfs/dbraw/zinc/42/37/40/811423740.db2.gz USFDSNIDQHGMAT-UHFFFAOYSA-N 0 2 294.307 1.711 10 5 CDBELN O=C(Nc1nc(-c2ccccc2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000863863820 817721576 /nfs/dbraw/zinc/72/15/76/817721576.db2.gz QZNKEGBEGONOAT-RKDXNWHRSA-N 0 2 274.236 1.340 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn2c1CCC2 ZINC001138013006 936454540 /nfs/dbraw/zinc/45/45/40/936454540.db2.gz ARPHKNVOXXOZOK-UHFFFAOYSA-N 0 2 288.263 1.695 10 5 CDBELN CC1(C)COCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597617960 343578602 /nfs/dbraw/zinc/57/86/02/343578602.db2.gz AFGIRDAQCWHFKM-UHFFFAOYSA-N 0 2 266.253 1.509 10 5 CDBELN COC[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)OC ZINC000597893171 343660062 /nfs/dbraw/zinc/66/00/62/343660062.db2.gz CVTVUBSRYBEAMW-JTQLQIEISA-N 0 2 298.295 1.082 10 5 CDBELN C[C@@H]1CC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343960413 362532377 /nfs/dbraw/zinc/53/23/77/362532377.db2.gz OHLSYAUVLCKLPQ-APPZFPTMSA-N 0 2 250.254 1.829 10 5 CDBELN COCC[C@H](COC)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336848512 356380121 /nfs/dbraw/zinc/38/01/21/356380121.db2.gz KQEKKOQHCKSOSE-SECBINFHSA-N 0 2 298.295 1.082 10 5 CDBELN CCO[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000233749428 356387700 /nfs/dbraw/zinc/38/77/00/356387700.db2.gz JPVIMTVJEOOSIQ-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN Cc1cnn(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000361657071 358403261 /nfs/dbraw/zinc/40/32/61/358403261.db2.gz BGNLZUJDAJDDET-UHFFFAOYSA-N 0 2 276.252 1.444 10 5 CDBELN C[C@H]1CC[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1 ZINC000166119830 359667814 /nfs/dbraw/zinc/66/78/14/359667814.db2.gz RWELWGAODUYAOO-WRWORJQWSA-N 0 2 266.253 1.806 10 5 CDBELN Cc1nccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000166123695 359673648 /nfs/dbraw/zinc/67/36/48/359673648.db2.gz ZDWKLCRVBNZUTI-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN O=C(NC[C@@H](O)C1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000456886847 364797808 /nfs/dbraw/zinc/79/78/08/364797808.db2.gz TXVZFVGMOXJWKA-GFCCVEGCSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(NCC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000028984815 375360038 /nfs/dbraw/zinc/36/00/38/375360038.db2.gz SMMYEASCYYASJC-JTQLQIEISA-N 0 2 280.280 1.599 10 5 CDBELN COCC[C@@H](COC)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000427600764 247163310 /nfs/dbraw/zinc/16/33/10/247163310.db2.gz VMMMAIMUGMIUNI-VIFPVBQESA-N 0 2 298.295 1.082 10 5 CDBELN CC(=O)C[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281347992 195205577 /nfs/dbraw/zinc/20/55/77/195205577.db2.gz VESDMNMAVVUPIM-SSDOTTSWSA-N 0 2 266.253 1.398 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000217316733 390964623 /nfs/dbraw/zinc/96/46/23/390964623.db2.gz YEOWJMHRCWRXEV-UFBFGSQYSA-N 0 2 280.280 1.143 10 5 CDBELN COc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)on1 ZINC000166080317 533557697 /nfs/dbraw/zinc/55/76/97/533557697.db2.gz HHRVUXQGHWNEJN-UHFFFAOYSA-N 0 2 279.208 1.549 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)[C@@H](C)O1 ZINC000438408742 392071452 /nfs/dbraw/zinc/07/14/52/392071452.db2.gz DVJSCWFLOZPWAR-OPRDCNLKSA-N 0 2 294.307 1.938 10 5 CDBELN O=C(Nc1cccc(F)c1-c1nc[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373342234 160193494 /nfs/dbraw/zinc/19/34/94/160193494.db2.gz WUMYWCYYFUOZMS-HZGVNTEJSA-N 0 2 291.242 1.215 10 5 CDBELN CC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293837237 287090604 /nfs/dbraw/zinc/09/06/04/287090604.db2.gz AYNFTSNNZQOMKB-SECBINFHSA-N 0 2 250.254 1.925 10 5 CDBELN CC[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436859488 287090695 /nfs/dbraw/zinc/09/06/95/287090695.db2.gz LJFILZSSRGOKDK-MRVPVSSYSA-N 0 2 250.254 1.925 10 5 CDBELN CO[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000361655182 165087964 /nfs/dbraw/zinc/08/79/64/165087964.db2.gz OKBSOQXWMJYRRP-NSHDSACASA-N 0 2 268.269 1.910 10 5 CDBELN NNc1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000040650092 174364881 /nfs/dbraw/zinc/36/48/81/174364881.db2.gz HOSMIMCCSSQHIZ-UHFFFAOYSA-N 0 2 263.282 1.822 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](F)C1 ZINC000452354588 304501732 /nfs/dbraw/zinc/50/17/32/304501732.db2.gz LVAKAKKJVGVTPP-SSDOTTSWSA-N 0 2 254.217 1.484 10 5 CDBELN CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281216641 280565556 /nfs/dbraw/zinc/56/55/56/280565556.db2.gz LYEMMWFZFNESHW-KOLCDFICSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@H]1CC[C@@H](O)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000399210483 280720195 /nfs/dbraw/zinc/72/01/95/280720195.db2.gz FXQACPBNTNPXSL-WCBMZHEXSA-N 0 2 280.280 1.286 10 5 CDBELN C[C@@H](O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000560206306 290477479 /nfs/dbraw/zinc/47/74/79/290477479.db2.gz DZFKTJJZZQTMNJ-NXEZZACHSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@@H]1COCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000278601933 297144856 /nfs/dbraw/zinc/14/48/56/297144856.db2.gz QXQGZDVVXNGZLY-LDYMZIIASA-N 0 2 280.280 1.455 10 5 CDBELN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)O1 ZINC001635585542 1166599320 /nfs/dbraw/zinc/59/93/20/1166599320.db2.gz CSMUBRFWHQOIOG-SOCHQFKDSA-N 0 2 280.280 1.596 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCNC(=O)CC1 ZINC000815876491 818722893 /nfs/dbraw/zinc/72/28/93/818722893.db2.gz CCLHINRRELDLSA-QMMMGPOBSA-N 0 2 293.279 1.155 10 5 CDBELN Cc1n[nH]c(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001292792186 954251680 /nfs/dbraw/zinc/25/16/80/954251680.db2.gz JQYYQJUYBFSBAI-UHFFFAOYSA-N 0 2 295.686 1.856 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC=CO1 ZINC001447257832 966735241 /nfs/dbraw/zinc/73/52/41/966735241.db2.gz CTCBVAYNUHQWEI-LLVKDONJSA-N 0 2 264.237 1.932 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCOC(F)(F)C1 ZINC000590402635 342543903 /nfs/dbraw/zinc/54/39/03/342543903.db2.gz IUTQYCXJYQUMEV-UHFFFAOYSA-N 0 2 288.206 1.366 10 5 CDBELN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000592860652 342739593 /nfs/dbraw/zinc/73/95/93/342739593.db2.gz KXDJKFPYINKTPZ-QMMMGPOBSA-N 0 2 296.279 1.229 10 5 CDBELN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593288087 342784605 /nfs/dbraw/zinc/78/46/05/342784605.db2.gz FXTSAEKEYSUFBQ-UWVGGRQHSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593288087 342784606 /nfs/dbraw/zinc/78/46/06/342784606.db2.gz FXTSAEKEYSUFBQ-UWVGGRQHSA-N 0 2 294.307 1.986 10 5 CDBELN O=c1cc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)nc2nc[nH]n21 ZINC000436931903 362134948 /nfs/dbraw/zinc/13/49/48/362134948.db2.gz LKKHLOABODYORP-IWQZZHSRSA-N 0 2 299.246 1.202 10 5 CDBELN CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1 ZINC000597443862 343538820 /nfs/dbraw/zinc/53/88/20/343538820.db2.gz YQULDRQTKCHGEV-PRHODGIISA-N 0 2 296.279 1.290 10 5 CDBELN CO[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000597870134 343654471 /nfs/dbraw/zinc/65/44/71/343654471.db2.gz LYPWZICUHKWBCL-SNVBAGLBSA-N 0 2 294.307 1.942 10 5 CDBELN C[C@H](CO)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000126905923 187269976 /nfs/dbraw/zinc/26/99/76/187269976.db2.gz LCYFWMVNXHXKOQ-SFYZADRCSA-N 0 2 268.269 1.047 10 5 CDBELN CO[C@@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598139801 343726296 /nfs/dbraw/zinc/72/62/96/343726296.db2.gz PSKUNFAMZNYZHE-ZETCQYMHSA-N 0 2 254.242 1.065 10 5 CDBELN O=C(N[C@@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000603920473 344845745 /nfs/dbraw/zinc/84/57/45/344845745.db2.gz ILMLEENIHYVKOE-ZJUUUORDSA-N 0 2 280.280 1.334 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2ncccc2C1 ZINC000614003508 347960793 /nfs/dbraw/zinc/96/07/93/347960793.db2.gz IHFVUXVEOWIRMF-UHFFFAOYSA-N 0 2 299.286 1.894 10 5 CDBELN Cc1c[nH]nc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000619672906 350832862 /nfs/dbraw/zinc/83/28/62/350832862.db2.gz FOOMGXLFIGREEA-UHFFFAOYSA-N 0 2 262.225 1.584 10 5 CDBELN C[C@@H](F)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436529902 358759524 /nfs/dbraw/zinc/75/95/24/358759524.db2.gz AXXNKPADBXHENH-SSDOTTSWSA-N 0 2 256.233 1.778 10 5 CDBELN CCC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000356452759 375845410 /nfs/dbraw/zinc/84/54/10/375845410.db2.gz INRCVHGAIDNCJO-SNVBAGLBSA-N 0 2 282.296 1.845 10 5 CDBELN O=c1[nH]nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)[nH]1 ZINC000450509756 251318609 /nfs/dbraw/zinc/31/86/09/251318609.db2.gz LJOGOPSMDIKWTB-MRVPVSSYSA-N 0 2 290.283 1.198 10 5 CDBELN C[C@@H](CO)[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280959891 195046762 /nfs/dbraw/zinc/04/67/62/195046762.db2.gz JQRJWPMEDIEDTE-JGVFFNPUSA-N 0 2 268.269 1.047 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)[C@H](C)O1 ZINC000438420574 392076341 /nfs/dbraw/zinc/07/63/41/392076341.db2.gz WUVIDDSDFZZCGS-BBBLOLIVSA-N 0 2 294.307 1.938 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280693758 393151855 /nfs/dbraw/zinc/15/18/55/393151855.db2.gz DUMYNXDUIKDRKK-DTORHVGOSA-N 0 2 280.280 1.550 10 5 CDBELN COC[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217315784 140163972 /nfs/dbraw/zinc/16/39/72/140163972.db2.gz QOIXEDVNIQQALA-VIFPVBQESA-N 0 2 280.280 1.409 10 5 CDBELN CC(C)Oc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040659650 174365752 /nfs/dbraw/zinc/36/57/52/174365752.db2.gz HKMILFXJHRMFGE-UHFFFAOYSA-N 0 2 269.305 1.887 10 5 CDBELN CC[C@@H](NCc1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000044928052 175277872 /nfs/dbraw/zinc/27/78/72/175277872.db2.gz IQVZALWGMFXOCD-SNVBAGLBSA-N 0 2 262.273 1.349 10 5 CDBELN Cc1ccc([C@H](C)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000044928161 175278649 /nfs/dbraw/zinc/27/86/49/175278649.db2.gz GVPPAYNTCMWQBN-QMMMGPOBSA-N 0 2 262.273 1.267 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000217316833 280088441 /nfs/dbraw/zinc/08/84/41/280088441.db2.gz BKHMLXAEXFHBKE-PELKAZGASA-N 0 2 280.280 1.143 10 5 CDBELN CC(=O)N[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000541587656 289500847 /nfs/dbraw/zinc/50/08/47/289500847.db2.gz QDZQXHUBSNSSFS-LBPRGKRZSA-N 0 2 295.295 1.400 10 5 CDBELN CO[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000294444448 293543287 /nfs/dbraw/zinc/54/32/87/293543287.db2.gz HFXLPSNTSMOEMQ-NSHDSACASA-N 0 2 280.280 1.455 10 5 CDBELN CO[C@@]1(C)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000230268717 294128544 /nfs/dbraw/zinc/12/85/44/294128544.db2.gz RRKXLOWQOJUJGD-AWEZNQCLSA-N 0 2 294.307 1.942 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](O)CC1 ZINC000294863545 304550163 /nfs/dbraw/zinc/55/01/63/304550163.db2.gz ODFAVDNPXPOMBY-VIFPVBQESA-N 0 2 280.280 1.287 10 5 CDBELN Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000184677349 323369380 /nfs/dbraw/zinc/36/93/80/323369380.db2.gz YKIKZYBUVDMKOQ-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN O=C(Nc1c[nH]nc1-c1ccccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000366360658 527096792 /nfs/dbraw/zinc/09/67/92/527096792.db2.gz GCCOUIKNAIVOOR-GMSGAONNSA-N 0 2 273.252 1.075 10 5 CDBELN COC(=O)c1coc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c1 ZINC000904954413 626370375 /nfs/dbraw/zinc/37/03/75/626370375.db2.gz CHZYTCAYLXPULL-RNFRBKRXSA-N 0 2 279.208 1.249 10 5 CDBELN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001624926499 1165875304 /nfs/dbraw/zinc/87/53/04/1165875304.db2.gz PWCHDNLTSBINTB-RKDXNWHRSA-N 0 2 288.263 1.386 10 5 CDBELN CCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1C ZINC000856288501 827889294 /nfs/dbraw/zinc/88/92/94/827889294.db2.gz VHFSNDVRWBHYLM-RKDXNWHRSA-N 0 2 265.269 1.392 10 5 CDBELN O=C(NOC/C=C\Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000812402431 828241371 /nfs/dbraw/zinc/24/13/71/828241371.db2.gz SMRLIYASZLDZPW-RJRFIUFISA-N 0 2 272.644 1.714 10 5 CDBELN CCC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001449537011 967482740 /nfs/dbraw/zinc/48/27/40/967482740.db2.gz QJQXPIVZAGNBKP-NSHDSACASA-N 0 2 292.291 1.884 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(C2CC2)C1 ZINC000589725786 342513207 /nfs/dbraw/zinc/51/32/07/342513207.db2.gz WBNLBWVFKCCTIQ-UHFFFAOYSA-N 0 2 262.265 1.782 10 5 CDBELN CCOC(=O)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436966099 362162932 /nfs/dbraw/zinc/16/29/32/362162932.db2.gz LVHCINVFWKFYPJ-QMMMGPOBSA-N 0 2 296.279 1.324 10 5 CDBELN CO[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000597490994 343557004 /nfs/dbraw/zinc/55/70/04/343557004.db2.gz CFEMKDSDSIGZBH-PELKAZGASA-N 0 2 296.279 1.290 10 5 CDBELN O=C(NCC1CCC(O)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598340566 343769872 /nfs/dbraw/zinc/76/98/72/343769872.db2.gz MCKCJOHKKIFBHB-UHFFFAOYSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc([N+](=O)[O-])ccc1O ZINC000598312786 343763872 /nfs/dbraw/zinc/76/38/72/343763872.db2.gz SAKZOQIPNFQDSN-RYUDHWBXSA-N 0 2 292.291 1.334 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000598440144 343797345 /nfs/dbraw/zinc/79/73/45/343797345.db2.gz DPPTYFPKPKBXBU-YMTOWFKASA-N 0 2 294.307 1.391 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000601973872 344300902 /nfs/dbraw/zinc/30/09/02/344300902.db2.gz PVTLWCFTFYILEK-DTORHVGOSA-N 0 2 278.264 1.019 10 5 CDBELN CCOC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000233779179 356391454 /nfs/dbraw/zinc/39/14/54/356391454.db2.gz ZXQHPQXOQCNBGE-UHFFFAOYSA-N 0 2 294.307 1.942 10 5 CDBELN O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000290529010 357212639 /nfs/dbraw/zinc/21/26/39/357212639.db2.gz QMEVLLSZCBYQOT-MRVPVSSYSA-N 0 2 293.279 1.298 10 5 CDBELN COCCCOCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361660349 358409091 /nfs/dbraw/zinc/40/90/91/358409091.db2.gz KCFNDXORWCNEOK-UHFFFAOYSA-N 0 2 284.268 1.292 10 5 CDBELN COCC[C@@H](COC)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436601721 358838619 /nfs/dbraw/zinc/83/86/19/358838619.db2.gz DJFXVKSXDRKLFI-VIFPVBQESA-N 0 2 298.295 1.082 10 5 CDBELN CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355014861 360442488 /nfs/dbraw/zinc/44/24/88/360442488.db2.gz HEMPEDUYOYJIEV-PELKAZGASA-N 0 2 282.296 1.437 10 5 CDBELN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](C)O ZINC000456229703 364038829 /nfs/dbraw/zinc/03/88/29/364038829.db2.gz LMPUJVQTSMPIEL-XVKPBYJWSA-N 0 2 268.269 1.190 10 5 CDBELN CCc1nnc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])o1 ZINC000348630779 367591193 /nfs/dbraw/zinc/59/11/93/367591193.db2.gz WIRJNZZSOFIPHU-UHFFFAOYSA-N 0 2 292.251 1.176 10 5 CDBELN C[C@H](F)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000356707269 373027095 /nfs/dbraw/zinc/02/70/95/373027095.db2.gz QPKSIJMAGDFAOL-ZETCQYMHSA-N 0 2 256.233 1.778 10 5 CDBELN CC(C)(O)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000280388327 374993790 /nfs/dbraw/zinc/99/37/90/374993790.db2.gz URHDDBCLFXSHPJ-UHFFFAOYSA-N 0 2 254.242 1.400 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(=O)CC1 ZINC000281109345 375035971 /nfs/dbraw/zinc/03/59/71/375035971.db2.gz GTVOZEWUTGNAAP-UHFFFAOYSA-N 0 2 264.237 1.106 10 5 CDBELN C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283331316 299503402 /nfs/dbraw/zinc/50/34/02/299503402.db2.gz HGLWNPLKPXDEOD-UWVGGRQHSA-N 0 2 294.307 1.676 10 5 CDBELN CN(CC(C)(C)CO)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000452939332 252217791 /nfs/dbraw/zinc/21/77/91/252217791.db2.gz SCPPERSZGFCLJH-UHFFFAOYSA-N 0 2 282.296 1.391 10 5 CDBELN CCN(C[C@H](C)OC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000361086365 285074487 /nfs/dbraw/zinc/07/44/87/285074487.db2.gz SQFGIAVPWBSUMW-VIFPVBQESA-N 0 2 282.296 1.797 10 5 CDBELN CC[C@@H](C)[C@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281214092 195153030 /nfs/dbraw/zinc/15/30/30/195153030.db2.gz LVJXNEPEWAMNAZ-LDYMZIIASA-N 0 2 282.296 1.437 10 5 CDBELN COC(=O)C(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281280567 195178763 /nfs/dbraw/zinc/17/87/63/195178763.db2.gz QELYSPBMIZOWIM-UHFFFAOYSA-N 0 2 296.279 1.229 10 5 CDBELN CO[C@@H](C)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355032904 391010166 /nfs/dbraw/zinc/01/01/66/391010166.db2.gz PUOLSVBAUGZVQH-SFYZADRCSA-N 0 2 268.269 1.454 10 5 CDBELN O=c1[nH]nc(SCCOc2ccccc2[N+](=O)[O-])[nH]1 ZINC000187633169 140081318 /nfs/dbraw/zinc/08/13/18/140081318.db2.gz DJOUSTKGIAEFOZ-UHFFFAOYSA-N 0 2 282.281 1.590 10 5 CDBELN O=C(NC[C@H]1CCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561561 140241574 /nfs/dbraw/zinc/24/15/74/140241574.db2.gz YLODHSQNFWSMEU-SECBINFHSA-N 0 2 266.253 1.209 10 5 CDBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000314236688 149252827 /nfs/dbraw/zinc/25/28/27/149252827.db2.gz CZWHYWGJPFMSTC-UHFFFAOYSA-N 0 2 294.307 1.942 10 5 CDBELN Cc1nnsc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355799203 157242582 /nfs/dbraw/zinc/24/25/82/157242582.db2.gz DCPZGAHYSMXMLA-UHFFFAOYSA-N 0 2 294.292 1.390 10 5 CDBELN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH]nc1C ZINC000359503024 158268148 /nfs/dbraw/zinc/26/81/48/158268148.db2.gz MZHXIPAENNCEAG-UHFFFAOYSA-N 0 2 286.291 1.984 10 5 CDBELN COC[C@@]1(C)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000295649289 292966895 /nfs/dbraw/zinc/96/68/95/292966895.db2.gz CJMPWZVMSJENQZ-AWEZNQCLSA-N 0 2 294.307 1.799 10 5 CDBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000313701016 281219969 /nfs/dbraw/zinc/21/99/69/281219969.db2.gz GUJOBNKJBHIRBZ-GFCCVEGCSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@H]1COCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342829739 300355049 /nfs/dbraw/zinc/35/50/49/300355049.db2.gz GLHNEZWAWYKNCZ-UWVGGRQHSA-N 0 2 294.307 1.703 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n(C)n1 ZINC000183903502 323349842 /nfs/dbraw/zinc/34/98/42/323349842.db2.gz GJQAVEMVOKOESB-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1=COCCC1 ZINC000183900344 527236094 /nfs/dbraw/zinc/23/60/94/527236094.db2.gz ZQMIEMQSLTVMFQ-UHFFFAOYSA-N 0 2 264.237 1.933 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC001610896398 1165475954 /nfs/dbraw/zinc/47/59/54/1165475954.db2.gz UGTBFXZYINMZIS-NZXMKCKXSA-N 0 2 276.248 1.464 10 5 CDBELN Cc1n[nH]c(SCc2cccnc2[N+](=O)[O-])n1 ZINC001613442869 1165531341 /nfs/dbraw/zinc/53/13/41/1165531341.db2.gz CDXLNOMXFZGKPV-UHFFFAOYSA-N 0 2 251.271 1.709 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncnc2[nH]ccc21 ZINC001637881086 1166793823 /nfs/dbraw/zinc/79/38/23/1166793823.db2.gz CMKHVJGFFNVRJX-UHFFFAOYSA-N 0 2 299.246 1.776 10 5 CDBELN Cc1[nH+]c[nH]c1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001639890914 1166974927 /nfs/dbraw/zinc/97/49/27/1166974927.db2.gz ZNSKQTRGNMBOFM-UHFFFAOYSA-N 0 2 288.307 1.528 10 5 CDBELN Cc1n[nH]c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000127833375 1175570645 /nfs/dbraw/zinc/57/06/45/1175570645.db2.gz SJWOYWPRSSEOEH-UHFFFAOYSA-N 0 2 283.194 1.552 10 5 CDBELN O=C(NCC[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC001606746391 1163980149 /nfs/dbraw/zinc/98/01/49/1163980149.db2.gz HNPDQQSCORFKAG-NSHDSACASA-N 0 2 280.280 1.191 10 5 CDBELN CO[C@@H]1CC[C@@H]1N(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000724131521 829692652 /nfs/dbraw/zinc/69/26/52/829692652.db2.gz YQMYRUDOSUQKDI-NWDGAFQWSA-N 0 2 280.280 1.550 10 5 CDBELN COCOCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000848166981 833826144 /nfs/dbraw/zinc/82/61/44/833826144.db2.gz LCNBMKVDRCYVAZ-UHFFFAOYSA-N 0 2 284.268 1.041 10 5 CDBELN CS[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000871096653 832789830 /nfs/dbraw/zinc/78/98/30/832789830.db2.gz VTPIQZFUQMWDMI-XWEPSHTISA-N 0 2 282.321 1.924 10 5 CDBELN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCOC1 ZINC000593816529 342838706 /nfs/dbraw/zinc/83/87/06/342838706.db2.gz YWYGDLAQXDJRFX-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000600522153 342229879 /nfs/dbraw/zinc/22/98/79/342229879.db2.gz MSBHSSJDSJKYRL-NOZJJQNGSA-N 0 2 292.291 1.598 10 5 CDBELN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc3n(n2)CCC3)[nH]1 ZINC000594696274 342943225 /nfs/dbraw/zinc/94/32/25/342943225.db2.gz NYMLTNCGBOLPPS-ONEGZZNKSA-N 0 2 289.251 1.109 10 5 CDBELN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nc(C)n1 ZINC000436975248 362239989 /nfs/dbraw/zinc/23/99/89/362239989.db2.gz IRKZKJXQKYHXOP-UHFFFAOYSA-N 0 2 288.263 1.960 10 5 CDBELN C[C@@]12COC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000598232351 343739535 /nfs/dbraw/zinc/73/95/35/343739535.db2.gz PPIDVQCZYSMPAP-QMTHXVAHSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H]1C(F)F ZINC000601600755 344206873 /nfs/dbraw/zinc/20/68/73/344206873.db2.gz CIGGGEFCGDLOJO-QMMMGPOBSA-N 0 2 272.207 1.780 10 5 CDBELN Cc1cnc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000227881471 346532814 /nfs/dbraw/zinc/53/28/14/346532814.db2.gz LVPDBPJVQWLOCO-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN CCOCCO[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273344426 192120614 /nfs/dbraw/zinc/12/06/14/192120614.db2.gz LXYHZIGLKPUCQB-VIFPVBQESA-N 0 2 298.295 1.681 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCOCC1 ZINC000236560313 363238460 /nfs/dbraw/zinc/23/84/60/363238460.db2.gz QLYKKDLRAHWNAV-UHFFFAOYSA-N 0 2 266.253 1.163 10 5 CDBELN CC1(C)[C@@H](O)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000408379037 359706693 /nfs/dbraw/zinc/70/66/93/359706693.db2.gz YGHZLIYPHKFEIG-JTQLQIEISA-N 0 2 280.280 1.286 10 5 CDBELN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2O)n1 ZINC000436764189 359839737 /nfs/dbraw/zinc/83/97/37/359839737.db2.gz JXNCGZYBZQQUIV-UHFFFAOYSA-N 0 2 296.670 1.940 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCn2nccc21 ZINC000367498883 363940437 /nfs/dbraw/zinc/94/04/37/363940437.db2.gz YFOHMBROXHSPCY-UHFFFAOYSA-N 0 2 274.236 1.157 10 5 CDBELN CCc1nnc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000413635087 364205553 /nfs/dbraw/zinc/20/55/53/364205553.db2.gz OASOVWHJUVQIAC-UHFFFAOYSA-N 0 2 292.251 1.176 10 5 CDBELN CC(C)C[C@@H](C(N)=O)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000412241161 240107644 /nfs/dbraw/zinc/10/76/44/240107644.db2.gz HMYDTVLGSCDXRU-VIFPVBQESA-N 0 2 295.295 1.387 10 5 CDBELN CCn1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000353058469 375570572 /nfs/dbraw/zinc/57/05/72/375570572.db2.gz BSAILWHQPWAGAX-UHFFFAOYSA-N 0 2 290.279 1.447 10 5 CDBELN CC(C)(CCO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354059027 375671282 /nfs/dbraw/zinc/67/12/82/375671282.db2.gz NUMCYJDECPYXND-UHFFFAOYSA-N 0 2 282.296 1.439 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1C ZINC000436866477 249472183 /nfs/dbraw/zinc/47/21/83/249472183.db2.gz XQVIZLRJDNOXMN-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN O=C(NCC[C@H]1CCCCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000280847855 195000724 /nfs/dbraw/zinc/00/07/24/195000724.db2.gz AEACLRRNBCBKQF-SNVBAGLBSA-N 0 2 294.307 1.989 10 5 CDBELN CO[C@@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316793 140163554 /nfs/dbraw/zinc/16/35/54/140163554.db2.gz MVMKBQIRRNRZOF-ZETCQYMHSA-N 0 2 254.242 1.065 10 5 CDBELN COC(=O)[C@@H](C)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234530367 140230019 /nfs/dbraw/zinc/23/00/19/140230019.db2.gz BJNXWPLWOSFFJO-QMMMGPOBSA-N 0 2 296.279 1.182 10 5 CDBELN O=C(NCc1ccncc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236562066 140241652 /nfs/dbraw/zinc/24/16/52/140241652.db2.gz YQJCNDPKHZFOFX-UHFFFAOYSA-N 0 2 273.248 1.625 10 5 CDBELN COCC[C@@H](COC)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000314714185 149256057 /nfs/dbraw/zinc/25/60/57/149256057.db2.gz CPQXSROPZWZAPV-JTQLQIEISA-N 0 2 298.295 1.082 10 5 CDBELN Cc1ccnc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000328138574 149265890 /nfs/dbraw/zinc/26/58/90/149265890.db2.gz ZHJYYTFWTPSKGY-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN C[C@@H]1CC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000310710508 296665444 /nfs/dbraw/zinc/66/54/44/296665444.db2.gz UIHYGHVMSWBVJO-XCBNKYQSSA-N 0 2 250.254 1.829 10 5 CDBELN Cc1c(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1C ZINC000346306463 153132849 /nfs/dbraw/zinc/13/28/49/153132849.db2.gz DVHLJPGGWWIYPK-UHFFFAOYSA-N 0 2 290.279 1.524 10 5 CDBELN O=C(NCc1ccco1)c1cccc(O)c1[N+](=O)[O-] ZINC000346788430 153302040 /nfs/dbraw/zinc/30/20/40/153302040.db2.gz HKVMZFFTDOUYPQ-UHFFFAOYSA-N 0 2 262.221 1.823 10 5 CDBELN O=C(N[C@@H]1C[C@@H]1C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355647450 157164993 /nfs/dbraw/zinc/16/49/93/157164993.db2.gz VYXINLQWRMGGOP-MWLCHTKSSA-N 0 2 262.265 1.829 10 5 CDBELN NN=c1nc[nH]c(Nc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000040647029 174364843 /nfs/dbraw/zinc/36/48/43/174364843.db2.gz ZIPGBURZNXEGDC-UHFFFAOYSA-N 0 2 281.663 1.462 10 5 CDBELN NNc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000040647029 174364844 /nfs/dbraw/zinc/36/48/44/174364844.db2.gz ZIPGBURZNXEGDC-UHFFFAOYSA-N 0 2 281.663 1.462 10 5 CDBELN CC1(C)COC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000456530172 281294902 /nfs/dbraw/zinc/29/49/02/281294902.db2.gz BJJIZXBOHQJSJA-LLVKDONJSA-N 0 2 280.280 1.455 10 5 CDBELN CO[C@@](C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000292330342 294074794 /nfs/dbraw/zinc/07/47/94/294074794.db2.gz BZUXBMBPSFSRQU-AWEZNQCLSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@H]1CSC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000342301363 300393485 /nfs/dbraw/zinc/39/34/85/300393485.db2.gz COQFZAOEYXNPMC-IONNQARKSA-N 0 2 282.321 1.782 10 5 CDBELN O=C(N[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000181987343 303845917 /nfs/dbraw/zinc/84/59/17/303845917.db2.gz CNVOMCAWJFXHTC-MRVPVSSYSA-N 0 2 266.253 1.209 10 5 CDBELN C[N@H+](Cc1nc2ccccn2c1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000061172785 523572076 /nfs/dbraw/zinc/57/20/76/523572076.db2.gz DFULRIOXUZPYFB-UHFFFAOYSA-N 0 2 292.295 1.538 10 5 CDBELN C[N@@H+](Cc1nc2ccccn2c1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000061172785 523572082 /nfs/dbraw/zinc/57/20/82/523572082.db2.gz DFULRIOXUZPYFB-UHFFFAOYSA-N 0 2 292.295 1.538 10 5 CDBELN CN(CCOCC1CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315994 536393446 /nfs/dbraw/zinc/39/34/46/536393446.db2.gz WUAKHFCKCMCQRC-UHFFFAOYSA-N 0 2 294.307 1.799 10 5 CDBELN O=C(NCc1cscn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000126565806 574423584 /nfs/dbraw/zinc/42/35/84/574423584.db2.gz UNFZOUWYHWTIEZ-UHFFFAOYSA-N 0 2 279.277 1.687 10 5 CDBELN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881158 1166794267 /nfs/dbraw/zinc/79/42/67/1166794267.db2.gz DUHLFWZKBCDOPU-CQFDHEJISA-N 0 2 280.280 1.910 10 5 CDBELN CC1(C)C[C@H](O)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001642802900 1167199792 /nfs/dbraw/zinc/19/97/92/1167199792.db2.gz HXPZZRGABLCJGZ-JTQLQIEISA-N 0 2 294.307 1.533 10 5 CDBELN CCC/C=C/[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013074 936454425 /nfs/dbraw/zinc/45/44/25/936454425.db2.gz DHXMEWMKDFNRKE-ZYOFXKKJSA-N 0 2 280.280 1.956 10 5 CDBELN O=C(Nc1c[nH]ccc1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586770627 342468262 /nfs/dbraw/zinc/46/82/62/342468262.db2.gz ZCKZECNIUHZINZ-UHFFFAOYSA-N 0 2 275.220 1.241 10 5 CDBELN CC(C)(CO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586799691 342469979 /nfs/dbraw/zinc/46/99/79/342469979.db2.gz DUUBXBMRYBTCTA-UHFFFAOYSA-N 0 2 268.269 1.049 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(C2CC2)C1 ZINC000589725769 342513164 /nfs/dbraw/zinc/51/31/64/342513164.db2.gz UQABKTFSLCTOME-UHFFFAOYSA-N 0 2 262.265 1.782 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000600364392 342159470 /nfs/dbraw/zinc/15/94/70/342159470.db2.gz ASVWBULAFNIFOE-CMPLNLGQSA-N 0 2 292.291 1.694 10 5 CDBELN CC1(C(=O)[O-])CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593289125 342784239 /nfs/dbraw/zinc/78/42/39/342784239.db2.gz RBWUGCAOBBWZEO-UHFFFAOYSA-N 0 2 294.307 1.987 10 5 CDBELN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(O)c1[N+](=O)[O-] ZINC000593804065 342836839 /nfs/dbraw/zinc/83/68/39/342836839.db2.gz YYJVRQTXEYYOHM-ZOFUNIGCSA-N 0 2 278.264 1.350 10 5 CDBELN CO[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000600798042 342249846 /nfs/dbraw/zinc/24/98/46/342249846.db2.gz QAZNHSFAZJYKMF-WAAGHKOSSA-N 0 2 280.280 1.455 10 5 CDBELN C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CO1 ZINC000401492533 349717677 /nfs/dbraw/zinc/71/76/77/349717677.db2.gz SLEZIJJMTUGCBZ-YUMQZZPRSA-N 0 2 266.253 1.208 10 5 CDBELN CC(C)(C)OCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000542790785 362612868 /nfs/dbraw/zinc/61/28/68/362612868.db2.gz FQTCUPOODNYUMV-UHFFFAOYSA-N 0 2 282.296 1.845 10 5 CDBELN Cc1cc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH][nH]1 ZINC000431745155 357032578 /nfs/dbraw/zinc/03/25/78/357032578.db2.gz PQHNSNXINTVJFE-UHFFFAOYSA-N 0 2 262.225 1.006 10 5 CDBELN COC[C@@H]1CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293970108 198850929 /nfs/dbraw/zinc/85/09/29/198850929.db2.gz RWTWLIPVZQTEJP-QMMMGPOBSA-N 0 2 266.253 1.161 10 5 CDBELN CN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181899844 357388929 /nfs/dbraw/zinc/38/89/29/357388929.db2.gz NZBIACQUZNXOJO-UHFFFAOYSA-N 0 2 250.254 1.782 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000235208450 359886720 /nfs/dbraw/zinc/88/67/20/359886720.db2.gz VKPAAMXDCRSAJF-SSDOTTSWSA-N 0 2 250.254 1.829 10 5 CDBELN O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000047298426 412769203 /nfs/dbraw/zinc/76/92/03/412769203.db2.gz JTCYRMUNVAIOFA-FSPLSTOPSA-N 0 2 253.283 1.236 10 5 CDBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000388186495 374108147 /nfs/dbraw/zinc/10/81/47/374108147.db2.gz OFJLUQUZRSDXJK-LLVKDONJSA-N 0 2 280.280 1.143 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCOCC2(CC2)C1 ZINC000376140390 374540663 /nfs/dbraw/zinc/54/06/63/374540663.db2.gz LWTIBGYQOWYYHD-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCOC1 ZINC000274726191 374682460 /nfs/dbraw/zinc/68/24/60/374682460.db2.gz FMCRKXVNPJNPON-VIFPVBQESA-N 0 2 266.253 1.161 10 5 CDBELN CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331289706 374922156 /nfs/dbraw/zinc/92/21/56/374922156.db2.gz AWKJINNVJHFSMQ-CABZTGNLSA-N 0 2 294.307 1.533 10 5 CDBELN CN(C[C@H]1CCCCO1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280660679 375011037 /nfs/dbraw/zinc/01/10/37/375011037.db2.gz APMNKOYIBYLXJG-SNVBAGLBSA-N 0 2 294.307 1.942 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000354640358 375737153 /nfs/dbraw/zinc/73/71/53/375737153.db2.gz DNFAWFZNFBUNTN-UWVGGRQHSA-N 0 2 294.307 1.845 10 5 CDBELN CCCCN(CC(N)=O)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280939699 195038500 /nfs/dbraw/zinc/03/85/00/195038500.db2.gz LEZPBAOTVKVEBS-UHFFFAOYSA-N 0 2 295.295 1.028 10 5 CDBELN C[C@@]1(O)CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000295693823 390916181 /nfs/dbraw/zinc/91/61/81/390916181.db2.gz OXABHVLGDTWJLH-CYBMUJFWSA-N 0 2 280.280 1.287 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000217316734 390964660 /nfs/dbraw/zinc/96/46/60/390964660.db2.gz YEOWJMHRCWRXEV-PRHODGIISA-N 0 2 280.280 1.143 10 5 CDBELN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[C@@H]1C ZINC000187978034 533273326 /nfs/dbraw/zinc/27/33/26/533273326.db2.gz OXOSCYJWSZCKKU-ZANVPECISA-N 0 2 294.307 1.797 10 5 CDBELN O=C(NCc1ccco1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236562027 140241094 /nfs/dbraw/zinc/24/10/94/140241094.db2.gz XZGZTSLYTJGFAF-UHFFFAOYSA-N 0 2 262.221 1.823 10 5 CDBELN CN(C[C@@H]1CCOC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346382439 153163132 /nfs/dbraw/zinc/16/31/32/153163132.db2.gz VETNTUUBDWYASJ-VIFPVBQESA-N 0 2 280.280 1.409 10 5 CDBELN O=C(NC[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359777340 158372831 /nfs/dbraw/zinc/37/28/31/158372831.db2.gz HDRPZUVOKCRFDS-JTQLQIEISA-N 0 2 280.280 1.049 10 5 CDBELN CC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000294232961 287090656 /nfs/dbraw/zinc/09/06/56/287090656.db2.gz ZIZBKAUWXFXZMV-MRVPVSSYSA-N 0 2 250.254 1.925 10 5 CDBELN O=[N+]([O-])c1cc(-c2nc(-c3cnccn3)n[nH]2)ccc1O ZINC000072237687 176346703 /nfs/dbraw/zinc/34/67/03/176346703.db2.gz CNLVXWYCMDSBKP-UHFFFAOYSA-N 0 2 284.235 1.543 10 5 CDBELN C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000398700082 270358455 /nfs/dbraw/zinc/35/84/55/270358455.db2.gz LKXYAMADHGSTEE-VHSXEESVSA-N 0 2 294.307 1.391 10 5 CDBELN COc1nnc(NC(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC001586605965 1172952752 /nfs/dbraw/zinc/95/27/52/1172952752.db2.gz ZKGQLBYETJMRNK-UHFFFAOYSA-N 0 2 298.255 1.846 10 5 CDBELN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2ccc3c(c2)OCO3)no1 ZINC000842489005 844877791 /nfs/dbraw/zinc/87/77/91/844877791.db2.gz LNKWNPHECUNFAB-RKDXNWHRSA-N 0 2 289.247 1.522 10 5 CDBELN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2c(F)ccc(F)c21 ZINC000844931870 847024272 /nfs/dbraw/zinc/02/42/72/847024272.db2.gz MNLRCLMTLMKIIY-HZGVNTEJSA-N 0 2 284.218 1.355 10 5 CDBELN Cn1nc(-c2ccsc2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839746645 847462051 /nfs/dbraw/zinc/46/20/51/847462051.db2.gz YXLFIOZIKDTEDT-PSASIEDQSA-N 0 2 292.320 1.752 10 5 CDBELN O=C(NCC1CC=CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600224971 341986607 /nfs/dbraw/zinc/98/66/07/341986607.db2.gz TYWXXBGZMQZGDE-UHFFFAOYSA-N 0 2 262.265 1.996 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1 ZINC000436852134 361872735 /nfs/dbraw/zinc/87/27/35/361872735.db2.gz NSEIDDVQEPZGTM-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000592860651 342739690 /nfs/dbraw/zinc/73/96/90/342739690.db2.gz KXDJKFPYINKTPZ-MRVPVSSYSA-N 0 2 296.279 1.229 10 5 CDBELN CC1(C)OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000598455568 343803610 /nfs/dbraw/zinc/80/36/10/343803610.db2.gz UALYDTUAIWMVOI-SECBINFHSA-N 0 2 294.307 1.845 10 5 CDBELN O=C(COCC(F)F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000599750717 344135661 /nfs/dbraw/zinc/13/56/61/344135661.db2.gz MDDXAHJSIRVSFY-UHFFFAOYSA-N 0 2 276.195 1.521 10 5 CDBELN CN(Cc1cnn(C)c1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000342406828 359047272 /nfs/dbraw/zinc/04/72/72/359047272.db2.gz YAAXEPSUPBVABN-UHFFFAOYSA-N 0 2 290.279 1.306 10 5 CDBELN C[C@H](O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272852099 299436995 /nfs/dbraw/zinc/43/69/95/299436995.db2.gz QVBGQBDZHICOFI-ZETCQYMHSA-N 0 2 268.269 1.190 10 5 CDBELN COC[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280805534 375024658 /nfs/dbraw/zinc/02/46/58/375024658.db2.gz PXYBDVJNPAFZRV-JTQLQIEISA-N 0 2 294.307 1.799 10 5 CDBELN CC[C@H](C)[C@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281214080 195152114 /nfs/dbraw/zinc/15/21/14/195152114.db2.gz LVJXNEPEWAMNAZ-GZMMTYOYSA-N 0 2 282.296 1.437 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)no1 ZINC000183895471 391329705 /nfs/dbraw/zinc/32/97/05/391329705.db2.gz DKXVIDVSHPNIKJ-UHFFFAOYSA-N 0 2 263.209 1.849 10 5 CDBELN CC(C)O[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000567947461 391552940 /nfs/dbraw/zinc/55/29/40/391552940.db2.gz QHVMJTZMMYLCLU-LLVKDONJSA-N 0 2 294.307 1.940 10 5 CDBELN C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000235442758 140235077 /nfs/dbraw/zinc/23/50/77/140235077.db2.gz QPQIDUWKBMSJBD-RKDXNWHRSA-N 0 2 280.280 1.598 10 5 CDBELN CC[C@H](C[C@H](C)CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354067101 156252216 /nfs/dbraw/zinc/25/22/16/156252216.db2.gz YSFQMGICIVKLFP-VHSXEESVSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](O)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355511288 157090794 /nfs/dbraw/zinc/09/07/94/157090794.db2.gz RIVSSYSVTGMROO-MRVPVSSYSA-N 0 2 268.269 1.191 10 5 CDBELN CO[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@H]1C ZINC000188042173 294573454 /nfs/dbraw/zinc/57/34/54/294573454.db2.gz LNQZSSOJLDHRRM-RNCFNFMXSA-N 0 2 294.307 1.797 10 5 CDBELN C[C@@H]1COCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000278770326 297144863 /nfs/dbraw/zinc/14/48/63/297144863.db2.gz XTYDDDGUJLGWFC-LDYMZIIASA-N 0 2 280.280 1.455 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnns1 ZINC000183896905 323350086 /nfs/dbraw/zinc/35/00/86/323350086.db2.gz ITGACSNUXYOHDS-UHFFFAOYSA-N 0 2 266.238 1.404 10 5 CDBELN COc1cccc([N+](=O)[O-])c1NCCCc1n[nH]c(=O)[nH]1 ZINC000578765840 324020330 /nfs/dbraw/zinc/02/03/30/324020330.db2.gz PWZHGEIFFBGXES-UHFFFAOYSA-N 0 2 293.283 1.472 10 5 CDBELN O=C(N[C@H]1CCCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1O ZINC000182122381 527022853 /nfs/dbraw/zinc/02/28/53/527022853.db2.gz UJOJCSHAWNHEKI-CABZTGNLSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(N[C@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001642403180 1167172254 /nfs/dbraw/zinc/17/22/54/1167172254.db2.gz VAOXZBPYVZMQJO-JTQLQIEISA-N 0 2 288.263 1.372 10 5 CDBELN O=C(N[C@H]1CC12CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000721152579 705052066 /nfs/dbraw/zinc/05/20/66/705052066.db2.gz XRDWJNVHCFRNIJ-NSHDSACASA-N 0 2 262.265 1.973 10 5 CDBELN CC1=NO[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000854802039 705085019 /nfs/dbraw/zinc/08/50/19/705085019.db2.gz IIYRZBGTKNMBQK-VIFPVBQESA-N 0 2 279.252 1.195 10 5 CDBELN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OC ZINC000592854805 342737991 /nfs/dbraw/zinc/73/79/91/342737991.db2.gz PULGSNXXRNOTPY-MRVPVSSYSA-N 0 2 296.279 1.229 10 5 CDBELN CCC[C@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353396736 361906495 /nfs/dbraw/zinc/90/64/95/361906495.db2.gz UZPRIDYNVPSPSV-ZDUSSCGKSA-N 0 2 282.296 1.581 10 5 CDBELN C[C@@H](Cn1cccn1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000342948327 362192755 /nfs/dbraw/zinc/19/27/55/362192755.db2.gz VPQIPVVSUIGFNS-VIFPVBQESA-N 0 2 290.279 1.315 10 5 CDBELN COC[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)OC ZINC000597887041 343658139 /nfs/dbraw/zinc/65/81/39/343658139.db2.gz HNRBGSJWHLFRIT-SNVBAGLBSA-N 0 2 298.295 1.082 10 5 CDBELN COC[C@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000597894688 343660566 /nfs/dbraw/zinc/66/05/66/343660566.db2.gz RUNZDUGWKVZMFP-JTQLQIEISA-N 0 2 298.295 1.082 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](C)O1 ZINC000598298563 343758477 /nfs/dbraw/zinc/75/84/77/343758477.db2.gz HNOHBXGXTFMGHY-ZJUUUORDSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(N[C@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000603920471 344845634 /nfs/dbraw/zinc/84/56/34/344845634.db2.gz ILMLEENIHYVKOE-UWVGGRQHSA-N 0 2 280.280 1.334 10 5 CDBELN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnoc2)n1 ZINC000617374006 345401764 /nfs/dbraw/zinc/40/17/64/345401764.db2.gz VZLGVASMSGVLRK-UHFFFAOYSA-N 0 2 251.202 1.052 10 5 CDBELN O=C(NC[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000086334177 179273391 /nfs/dbraw/zinc/27/33/91/179273391.db2.gz JXDIAJRLOSBVOZ-KOLCDFICSA-N 0 2 280.280 1.191 10 5 CDBELN CCC1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000457267205 366065579 /nfs/dbraw/zinc/06/55/79/366065579.db2.gz BIBULCQBKTZIKY-UHFFFAOYSA-N 0 2 250.254 1.782 10 5 CDBELN CO[C@H](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336817806 356283513 /nfs/dbraw/zinc/28/35/13/356283513.db2.gz RXYNMEITPUBSEX-MRVPVSSYSA-N 0 2 268.269 1.455 10 5 CDBELN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000182042248 365064412 /nfs/dbraw/zinc/06/44/12/365064412.db2.gz CKSXJDSHROIKER-CABZTGNLSA-N 0 2 294.307 1.581 10 5 CDBELN CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)OCCCO1 ZINC000276855414 374754065 /nfs/dbraw/zinc/75/40/65/374754065.db2.gz FEFVKWLNEIQMQU-UHFFFAOYSA-N 0 2 296.279 1.183 10 5 CDBELN Cc1nc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])no1 ZINC000354730282 375746835 /nfs/dbraw/zinc/74/68/35/375746835.db2.gz ZZMSAVHNTBTQEW-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN Cc1cc([N+](=O)[O-])ccc1C[NH+]=c1[n-]nc2ccccn21 ZINC000354870649 375756741 /nfs/dbraw/zinc/75/67/41/375756741.db2.gz KAMGIBYQHABLBW-UHFFFAOYSA-N 0 2 283.291 1.980 10 5 CDBELN COc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014241 375944556 /nfs/dbraw/zinc/94/45/56/375944556.db2.gz BWBWSSRCCTXVJY-CMPLNLGQSA-N 0 2 279.340 1.643 10 5 CDBELN O=C(NC[C@@H]1CCCCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000280937653 195036712 /nfs/dbraw/zinc/03/67/12/195036712.db2.gz KZBLIDMIUGURIK-VIFPVBQESA-N 0 2 280.280 1.599 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)[C@@H](C)O1 ZINC000438420578 392076512 /nfs/dbraw/zinc/07/65/12/392076512.db2.gz WUVIDDSDFZZCGS-OPRDCNLKSA-N 0 2 294.307 1.938 10 5 CDBELN O=C(NC[C@@H]1CCSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000228578422 393408709 /nfs/dbraw/zinc/40/87/09/393408709.db2.gz FWQALMJKEQZEPJ-QMMMGPOBSA-N 0 2 282.321 1.783 10 5 CDBELN O=C(N[C@H](CO)CC1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355514022 157092207 /nfs/dbraw/zinc/09/22/07/157092207.db2.gz UCVBYQNOCKZFAW-JTQLQIEISA-N 0 2 294.307 1.581 10 5 CDBELN Cc1cccnc1Nc1[nH]cnc(=NN)c1[N+](=O)[O-] ZINC000040625850 174356591 /nfs/dbraw/zinc/35/65/91/174356591.db2.gz WPLULZNNZWAYST-UHFFFAOYSA-N 0 2 261.245 1.117 10 5 CDBELN Cc1cccnc1Nc1ncnc(NN)c1[N+](=O)[O-] ZINC000040625850 174356592 /nfs/dbraw/zinc/35/65/92/174356592.db2.gz WPLULZNNZWAYST-UHFFFAOYSA-N 0 2 261.245 1.117 10 5 CDBELN CC1(C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000408104543 281222828 /nfs/dbraw/zinc/22/28/28/281222828.db2.gz FHSJKKLYHGLMMT-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN CN(C[C@H]1CCCOC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234298174 523131327 /nfs/dbraw/zinc/13/13/27/523131327.db2.gz LESFKNYEXZIODJ-SNVBAGLBSA-N 0 2 294.307 1.799 10 5 CDBELN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(OC)OC ZINC000816340103 710528559 /nfs/dbraw/zinc/52/85/59/710528559.db2.gz WCFOAWKMIUELCT-JTQLQIEISA-N 0 2 298.295 1.428 10 5 CDBELN CCCCOC(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000796239150 711403181 /nfs/dbraw/zinc/40/31/81/711403181.db2.gz NSRVKADBUIJKNO-UHFFFAOYSA-N 0 2 296.279 1.374 10 5 CDBELN O=C(N[C@@H](CO)CC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586803761 342470176 /nfs/dbraw/zinc/47/01/76/342470176.db2.gz RQCJAGMMTFGLQS-SECBINFHSA-N 0 2 280.280 1.191 10 5 CDBELN CCc1cc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH][nH]1 ZINC000588310448 342496208 /nfs/dbraw/zinc/49/62/08/342496208.db2.gz UDPIPECWWOKJFD-UHFFFAOYSA-N 0 2 276.252 1.260 10 5 CDBELN O=C(NCCC1(CO)CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000593878450 342850927 /nfs/dbraw/zinc/85/09/27/342850927.db2.gz BAZARCUWQPZRAP-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC2(CCO2)CC1 ZINC000597789588 343635892 /nfs/dbraw/zinc/63/58/92/343635892.db2.gz OQLDGCARIQDXNW-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN O=C(N[C@H](CO)C1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000597917191 343669787 /nfs/dbraw/zinc/66/97/87/343669787.db2.gz BCOGZOQHTYOMCW-LLVKDONJSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000601971377 344300514 /nfs/dbraw/zinc/30/05/14/344300514.db2.gz CLRHMXVJCHYOBU-DTORHVGOSA-N 0 2 278.264 1.019 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc2[nH]cnc2c1 ZINC000614271695 348051502 /nfs/dbraw/zinc/05/15/02/348051502.db2.gz YHTVRZHEGJRPIN-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN Cc1nc(C)c(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)o1 ZINC000336849176 356372087 /nfs/dbraw/zinc/37/20/87/356372087.db2.gz QGHHDDLHIXERKF-UHFFFAOYSA-N 0 2 291.263 1.835 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000361657922 358408088 /nfs/dbraw/zinc/40/80/88/358408088.db2.gz DLFYMYGRJGJGIS-SSDOTTSWSA-N 0 2 268.294 1.992 10 5 CDBELN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000573127115 365235525 /nfs/dbraw/zinc/23/55/25/365235525.db2.gz UFZQPSWUSGDVBO-SKDRFNHKSA-N 0 2 296.323 1.827 10 5 CDBELN NC(=O)c1cc(O)cc(Br)c1[N+](=O)[O-] ZINC000575692108 373861171 /nfs/dbraw/zinc/86/11/71/373861171.db2.gz ULFRACYLENLTRL-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN O=C(NO[C@H]1CCCCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000280860686 195005449 /nfs/dbraw/zinc/00/54/49/195005449.db2.gz XBOBYYPXXJTKGU-JTQLQIEISA-N 0 2 282.252 1.488 10 5 CDBELN CC(C)(C)OC(=O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280994811 195061179 /nfs/dbraw/zinc/06/11/79/195061179.db2.gz QRHKXWSSWKUKQK-UHFFFAOYSA-N 0 2 296.279 1.372 10 5 CDBELN C[C@]1(O)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316647 390964294 /nfs/dbraw/zinc/96/42/94/390964294.db2.gz XUXWKGPPYJDWQM-ZDUSSCGKSA-N 0 2 280.280 1.287 10 5 CDBELN O=C(NCCn1cccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000227881555 140188189 /nfs/dbraw/zinc/18/81/89/140188189.db2.gz WHHXHRLCIPKZBU-UHFFFAOYSA-N 0 2 275.264 1.532 10 5 CDBELN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000354323208 156386556 /nfs/dbraw/zinc/38/65/56/156386556.db2.gz AOQGERCBDPSSII-AAEUAGOBSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CCC[C@H]21 ZINC000523407632 260221551 /nfs/dbraw/zinc/22/15/51/260221551.db2.gz JUGUWAFLPZNRBB-VHSXEESVSA-N 0 2 262.265 1.925 10 5 CDBELN C[C@H]1CSC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342355370 300391494 /nfs/dbraw/zinc/39/14/94/300391494.db2.gz SXWXFYZHBUBYAC-XVKPBYJWSA-N 0 2 282.321 1.782 10 5 CDBELN C[C@H]1OCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H]1C ZINC000283562783 300597188 /nfs/dbraw/zinc/59/71/88/300597188.db2.gz VTWWGSRSDKUCCH-DTWKUNHWSA-N 0 2 280.280 1.550 10 5 CDBELN Cn1cc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000183912217 323350028 /nfs/dbraw/zinc/35/00/28/323350028.db2.gz QMBBPXUCEXNWFO-UHFFFAOYSA-N 0 2 290.279 1.605 10 5 CDBELN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CO1 ZINC000578630187 323981394 /nfs/dbraw/zinc/98/13/94/323981394.db2.gz UOKVWKJBQRKZQZ-HTQZYQBOSA-N 0 2 266.253 1.208 10 5 CDBELN O=C(Nc1cc(Cl)[nH]n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000802831420 712534735 /nfs/dbraw/zinc/53/47/35/712534735.db2.gz OQLGLRSMKADJDR-UHFFFAOYSA-N 0 2 282.643 1.929 10 5 CDBELN Cn1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C(F)(F)F ZINC001347351055 965484245 /nfs/dbraw/zinc/48/42/45/965484245.db2.gz DQLYJQXMFYFJPI-RFZPGFLSSA-N 0 2 278.190 1.043 10 5 CDBELN O=C([O-])C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000593290768 342784833 /nfs/dbraw/zinc/78/48/33/342784833.db2.gz HYLOBTKKUILFGH-UHFFFAOYSA-N 0 2 280.280 1.597 10 5 CDBELN O=C([O-])C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000593290768 342784835 /nfs/dbraw/zinc/78/48/35/342784835.db2.gz HYLOBTKKUILFGH-UHFFFAOYSA-N 0 2 280.280 1.597 10 5 CDBELN CC(C)n1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000593784946 342839581 /nfs/dbraw/zinc/83/95/81/342839581.db2.gz WQAMWEGFEVLEPK-UHFFFAOYSA-N 0 2 291.267 1.725 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2(CC2(F)F)C1 ZINC000594388821 342894218 /nfs/dbraw/zinc/89/42/18/342894218.db2.gz QZXLCEFAJUQGJD-UHFFFAOYSA-N 0 2 284.218 1.782 10 5 CDBELN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600520860 342229708 /nfs/dbraw/zinc/22/97/08/342229708.db2.gz SKEUUCGJPADRRH-MFKMUULPSA-N 0 2 292.291 1.598 10 5 CDBELN CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353483775 363364323 /nfs/dbraw/zinc/36/43/23/363364323.db2.gz SOFSLQQERIYBAV-YMTOWFKASA-N 0 2 296.323 1.827 10 5 CDBELN CNc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000354620461 359898649 /nfs/dbraw/zinc/89/86/49/359898649.db2.gz WPSUMVHOCCGPJM-UHFFFAOYSA-N 0 2 288.263 1.411 10 5 CDBELN CC1(C)[C@@H](O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436835162 364819863 /nfs/dbraw/zinc/81/98/63/364819863.db2.gz ULSURUNICLRDJL-NSHDSACASA-N 0 2 280.280 1.286 10 5 CDBELN COc1cc(CSc2n[n-]c(=[NH2+])n2C)ccc1[N+](=O)[O-] ZINC000351906574 370870953 /nfs/dbraw/zinc/87/09/53/370870953.db2.gz YPNHSQRXQVGNJR-UHFFFAOYSA-N 0 2 295.324 1.437 10 5 CDBELN NC(=O)c1cc(O)cc([N+](=O)[O-])c1Br ZINC000575692571 373869679 /nfs/dbraw/zinc/86/96/79/373869679.db2.gz ZBLZCCZUATWLIQ-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCSCC1 ZINC000280691300 375013812 /nfs/dbraw/zinc/01/38/12/375013812.db2.gz DJYFGQSYJPTMNZ-UHFFFAOYSA-N 0 2 268.294 1.489 10 5 CDBELN C/C=C\C[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354901716 375759648 /nfs/dbraw/zinc/75/96/48/375759648.db2.gz ODCMKIUPGMUAOC-XADBCAIWSA-N 0 2 280.280 1.357 10 5 CDBELN CC[C@H](CO)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000452703872 252144755 /nfs/dbraw/zinc/14/47/55/252144755.db2.gz YHTLMVTUJRUHBK-MRVPVSSYSA-N 0 2 268.269 1.143 10 5 CDBELN CC[C@H]1[C@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000452964008 252226298 /nfs/dbraw/zinc/22/62/98/252226298.db2.gz USWZAYUPRATPLG-CABZTGNLSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]1C1CC1 ZINC000452995260 252241949 /nfs/dbraw/zinc/24/19/49/252241949.db2.gz RTNLWHUBSDGNDS-NSHDSACASA-N 0 2 262.265 1.925 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccnnc1 ZINC000182090525 391231254 /nfs/dbraw/zinc/23/12/54/391231254.db2.gz NNTXDZDYJBEHOJ-UHFFFAOYSA-N 0 2 260.209 1.343 10 5 CDBELN CC[C@@](C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000323192268 391357504 /nfs/dbraw/zinc/35/75/04/391357504.db2.gz CUPMDYIVINFWMX-ZDUSSCGKSA-N 0 2 282.296 1.845 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cn[nH]c1 ZINC000229974065 140204932 /nfs/dbraw/zinc/20/49/32/140204932.db2.gz RHIDFNCMBHZXIP-ZETCQYMHSA-N 0 2 276.252 1.515 10 5 CDBELN Cc1nnc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]1 ZINC000343366399 152141834 /nfs/dbraw/zinc/14/18/34/152141834.db2.gz OKLIEKCFNIGFSW-LURJTMIESA-N 0 2 291.267 1.218 10 5 CDBELN O=C(NCCc1ccccn1)c1cccc(O)c1[N+](=O)[O-] ZINC000354290398 156369760 /nfs/dbraw/zinc/36/97/60/156369760.db2.gz VBEDWLGQFNBDEY-UHFFFAOYSA-N 0 2 287.275 1.668 10 5 CDBELN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OC ZINC000359347054 158221732 /nfs/dbraw/zinc/22/17/32/158221732.db2.gz SLBZHLXJCFXKFE-SECBINFHSA-N 0 2 296.279 1.372 10 5 CDBELN C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000560599203 290508937 /nfs/dbraw/zinc/50/89/37/290508937.db2.gz MKZUHIVNNRSCPI-NXEZZACHSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000414029122 297712581 /nfs/dbraw/zinc/71/25/81/297712581.db2.gz IEWKKSDGNCJIBF-NXEZZACHSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000291599030 304551046 /nfs/dbraw/zinc/55/10/46/304551046.db2.gz FFQRILPVAVQBMA-DTORHVGOSA-N 0 2 290.275 1.637 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000235675361 300188007 /nfs/dbraw/zinc/18/80/07/300188007.db2.gz CTHXEJCGMWGTEH-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)[O-] ZINC000061172708 522509230 /nfs/dbraw/zinc/50/92/30/522509230.db2.gz BUPORYOAUUYXBP-UHFFFAOYSA-N 0 2 295.295 1.328 10 5 CDBELN C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)[O-] ZINC000061172708 522509235 /nfs/dbraw/zinc/50/92/35/522509235.db2.gz BUPORYOAUUYXBP-UHFFFAOYSA-N 0 2 295.295 1.328 10 5 CDBELN Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccn1 ZINC000050638286 527461169 /nfs/dbraw/zinc/46/11/69/527461169.db2.gz PPRWBDREUCAPPL-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN Cn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C=O ZINC001138013083 936454521 /nfs/dbraw/zinc/45/45/21/936454521.db2.gz DXCPTCNCELRGDC-UHFFFAOYSA-N 0 2 290.235 1.099 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](CCF)C1 ZINC000600498030 342228343 /nfs/dbraw/zinc/22/83/43/342228343.db2.gz VZYYQXWLAYKWBJ-JTQLQIEISA-N 0 2 298.270 1.501 10 5 CDBELN C[C@@]12COC[C@@H]1CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C2 ZINC000598226121 343738230 /nfs/dbraw/zinc/73/82/30/343738230.db2.gz NGOVMMMSCDRCNC-LKFCYVNXSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(NCC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000598340581 343769859 /nfs/dbraw/zinc/76/98/59/343769859.db2.gz MUPZMRCYCHZZLB-UHFFFAOYSA-N 0 2 294.307 1.581 10 5 CDBELN CC(C)C[C@@H](CO)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295151034 199374957 /nfs/dbraw/zinc/37/49/57/199374957.db2.gz FHDQBRFSNGSQII-JTQLQIEISA-N 0 2 296.323 1.779 10 5 CDBELN O=C(Nc1ccnn1-c1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364216764 362963695 /nfs/dbraw/zinc/96/36/95/362963695.db2.gz OJMJJHYMAUJUGE-GHMZBOCLSA-N 0 2 290.254 1.615 10 5 CDBELN O=C(CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCC1 ZINC000600488670 358283734 /nfs/dbraw/zinc/28/37/34/358283734.db2.gz VFAQXXQVOHAVEY-UHFFFAOYSA-N 0 2 292.291 1.790 10 5 CDBELN Cc1[nH]nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000436619007 358880402 /nfs/dbraw/zinc/88/04/02/358880402.db2.gz NLESQXVIFPCILD-UHFFFAOYSA-N 0 2 276.252 1.893 10 5 CDBELN CCC[C@H](C)[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000569612698 359253317 /nfs/dbraw/zinc/25/33/17/359253317.db2.gz GISPOWGZHCBTAA-ONGXEEELSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000560599207 359875686 /nfs/dbraw/zinc/87/56/86/359875686.db2.gz MKZUHIVNNRSCPI-ZJUUUORDSA-N 0 2 294.307 1.533 10 5 CDBELN CO[C@@H]([C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000456589769 364610283 /nfs/dbraw/zinc/61/02/83/364610283.db2.gz XABSEXRBRLMGMP-SDBXPKJASA-N 0 2 294.307 1.844 10 5 CDBELN C[C@]1(O)CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000295693826 370571897 /nfs/dbraw/zinc/57/18/97/370571897.db2.gz OXABHVLGDTWJLH-ZDUSSCGKSA-N 0 2 280.280 1.287 10 5 CDBELN O=C(NC1CCSCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280766577 375022246 /nfs/dbraw/zinc/02/22/46/375022246.db2.gz MBTAABPPXVAESZ-UHFFFAOYSA-N 0 2 282.321 1.926 10 5 CDBELN O=C(NCCC[C@@H]1CCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000401431511 375427321 /nfs/dbraw/zinc/42/73/21/375427321.db2.gz VWCJDHXSMOMOJV-SNVBAGLBSA-N 0 2 294.307 1.847 10 5 CDBELN O=C(NCC1(CCO)CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354370634 375702525 /nfs/dbraw/zinc/70/25/25/375702525.db2.gz HSFXHNIQWQGOPM-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN Cc1nnccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000547863371 377845810 /nfs/dbraw/zinc/84/58/10/377845810.db2.gz LWCUKFBMDSCQFY-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN CC[C@H](O)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000450391946 251259129 /nfs/dbraw/zinc/25/91/29/251259129.db2.gz NWBUYNXLNVFYGS-QMMMGPOBSA-N 0 2 254.242 1.400 10 5 CDBELN CC1(O)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000217316016 391902394 /nfs/dbraw/zinc/90/23/94/391902394.db2.gz RRUADUKECJLLMV-UHFFFAOYSA-N 0 2 280.280 1.287 10 5 CDBELN CC[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000421962848 392947296 /nfs/dbraw/zinc/94/72/96/392947296.db2.gz HHYDSFFTWKUKTA-KOLCDFICSA-N 0 2 294.307 1.988 10 5 CDBELN Cc1nn(C)cc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316339 140163410 /nfs/dbraw/zinc/16/34/10/140163410.db2.gz HPISEXXYKCOGCK-UHFFFAOYSA-N 0 2 290.279 1.272 10 5 CDBELN O=C(NCC[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000230182554 140207562 /nfs/dbraw/zinc/20/75/62/140207562.db2.gz SWBVBNINXMYOFT-VIFPVBQESA-N 0 2 280.280 1.457 10 5 CDBELN CC(C)[C@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353698591 156021331 /nfs/dbraw/zinc/02/13/31/156021331.db2.gz NLEUPSASWBJKPT-CYBMUJFWSA-N 0 2 282.296 1.437 10 5 CDBELN C[C@H]1COCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000192826066 534043201 /nfs/dbraw/zinc/04/32/01/534043201.db2.gz DSLWATAOYSLJOK-WCBMZHEXSA-N 0 2 280.280 1.912 10 5 CDBELN O=Cc1cncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001633355036 1166417911 /nfs/dbraw/zinc/41/79/11/1166417911.db2.gz DKGVZOIWWRPMOU-UHFFFAOYSA-N 0 2 287.231 1.760 10 5 CDBELN O=C(NCC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000600165064 341982002 /nfs/dbraw/zinc/98/20/02/341982002.db2.gz MISYLEVJDHCFQG-JTQLQIEISA-N 0 2 294.307 1.847 10 5 CDBELN CC1(C)OC[C@H]2C[C@]21NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600260645 341991190 /nfs/dbraw/zinc/99/11/90/341991190.db2.gz WPARUAWQVGZKEH-CLAHSXSESA-N 0 2 292.291 1.598 10 5 CDBELN CN(CC1(C)COC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600303236 342054121 /nfs/dbraw/zinc/05/41/21/342054121.db2.gz CNXYMWBTLADEJP-UHFFFAOYSA-N 0 2 280.280 1.409 10 5 CDBELN C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000235636467 299954019 /nfs/dbraw/zinc/95/40/19/299954019.db2.gz DOMQZDDQZUTSST-QMMMGPOBSA-N 0 2 250.254 1.782 10 5 CDBELN C[C@@H]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000598216423 343735086 /nfs/dbraw/zinc/73/50/86/343735086.db2.gz ZSNKGQJHUOYWLA-KOLCDFICSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](C)C1O ZINC000598191619 343727356 /nfs/dbraw/zinc/72/73/56/343727356.db2.gz ZGKLXAIONKWYFM-RKDXNWHRSA-N 0 2 294.307 1.389 10 5 CDBELN O=C(NCCOCCF)c1cccc(O)c1[N+](=O)[O-] ZINC000598561143 343825839 /nfs/dbraw/zinc/82/58/39/343825839.db2.gz VEQGUYHTOJOVMG-UHFFFAOYSA-N 0 2 272.232 1.016 10 5 CDBELN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428077060 303993443 /nfs/dbraw/zinc/99/34/43/303993443.db2.gz DOLIHAJBTSHFLZ-GDGBQDQQSA-N 0 2 262.265 1.829 10 5 CDBELN CO[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000292626935 198355631 /nfs/dbraw/zinc/35/56/31/198355631.db2.gz SFVFDQHCGXHSDH-SFYZADRCSA-N 0 2 268.269 1.454 10 5 CDBELN COC(=O)C[C@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000290620592 357235635 /nfs/dbraw/zinc/23/56/35/357235635.db2.gz XFJMPNVVRFRGAR-MRVPVSSYSA-N 0 2 296.279 1.828 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCCCO1 ZINC000408083555 357824334 /nfs/dbraw/zinc/82/43/34/357824334.db2.gz XBZVPGVKJPZAAM-UHFFFAOYSA-N 0 2 266.253 1.858 10 5 CDBELN O=C(C[C@@H]1CCOC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361656265 358403285 /nfs/dbraw/zinc/40/32/85/358403285.db2.gz RUNCQBKVZCEXDV-QMMMGPOBSA-N 0 2 266.253 1.666 10 5 CDBELN C[C@H](F)CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436544616 358769937 /nfs/dbraw/zinc/76/99/37/358769937.db2.gz LMMHPKMPXWDKRU-ZETCQYMHSA-N 0 2 256.233 1.778 10 5 CDBELN CC[C@@H](C)[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355014862 360447063 /nfs/dbraw/zinc/44/70/63/360447063.db2.gz HEMPEDUYOYJIEV-PRHODGIISA-N 0 2 282.296 1.437 10 5 CDBELN CCOC(=O)[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000413646030 364200142 /nfs/dbraw/zinc/20/01/42/364200142.db2.gz DXWIVSKMYBEUIA-VIFPVBQESA-N 0 2 296.279 1.828 10 5 CDBELN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316008 375612893 /nfs/dbraw/zinc/61/28/93/375612893.db2.gz RGKQUSWQWRZHLA-UISBYWKRSA-N 0 2 278.264 1.350 10 5 CDBELN O=C(NCCC1CC(O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355270274 375786215 /nfs/dbraw/zinc/78/62/15/375786215.db2.gz VWDMWIYUBACNLO-UHFFFAOYSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000435980310 248214968 /nfs/dbraw/zinc/21/49/68/248214968.db2.gz SWZWKVHSTMYXDM-VHSXEESVSA-N 0 2 262.265 1.829 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOCC2(CC2)C1 ZINC000436752012 249456158 /nfs/dbraw/zinc/45/61/58/249456158.db2.gz WIQGPLLMGMTECC-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN O=C(NCCc1ccccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561069 140240490 /nfs/dbraw/zinc/24/04/90/140240490.db2.gz CFLDQTSVOSUSRY-UHFFFAOYSA-N 0 2 287.275 1.668 10 5 CDBELN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000346401172 153171838 /nfs/dbraw/zinc/17/18/38/153171838.db2.gz YFPHYWOLJJPNEV-BDAKNGLRSA-N 0 2 282.296 1.437 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2nncn2c1 ZINC000155992730 289256019 /nfs/dbraw/zinc/25/60/19/289256019.db2.gz IAHSQFZAZWRZPD-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN O=C(NC1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560503 527509096 /nfs/dbraw/zinc/50/90/96/527509096.db2.gz MMRLNIPNGUGQFY-UHFFFAOYSA-N 0 2 250.254 1.973 10 5 CDBELN O=C(Nc1nc2cc[nH]cc-2n1)c1ccc([N+](=O)[O-])cc1O ZINC000773524678 575819418 /nfs/dbraw/zinc/81/94/18/575819418.db2.gz OQIMLUKPKUYNHU-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN CCn1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000894901156 619133814 /nfs/dbraw/zinc/13/38/14/619133814.db2.gz VXGAPZIHHHQNJM-IYSWYEEDSA-N 0 2 258.665 1.160 10 5 CDBELN CO[C@H]1CC[C@@H]1N(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000724131522 679131931 /nfs/dbraw/zinc/13/19/31/679131931.db2.gz YQMYRUDOSUQKDI-RYUDHWBXSA-N 0 2 280.280 1.550 10 5 CDBELN CC1(C)C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C(=O)O1 ZINC000802851363 679486929 /nfs/dbraw/zinc/48/69/29/679486929.db2.gz PJUPSRGQZIROHB-SECBINFHSA-N 0 2 294.263 1.124 10 5 CDBELN O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC001644018652 1167288419 /nfs/dbraw/zinc/28/84/19/1167288419.db2.gz NPTBCESHALCJJZ-NQBHXWOUSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)O1 ZINC001635585543 1166599235 /nfs/dbraw/zinc/59/92/35/1166599235.db2.gz CSMUBRFWHQOIOG-VHSKPIJISA-N 0 2 280.280 1.596 10 5 CDBELN O=C(Nc1ccn(CC(F)(F)F)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001536212440 969597189 /nfs/dbraw/zinc/59/71/89/969597189.db2.gz OLHJFQVMCVKUOC-PHDIDXHHSA-N 0 2 278.190 1.049 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600439491 342208053 /nfs/dbraw/zinc/20/80/53/342208053.db2.gz HTKKXVOYVPRWCV-NMSKTSORSA-N 0 2 294.307 1.842 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(CC2(F)F)C1 ZINC000594390255 342894560 /nfs/dbraw/zinc/89/45/60/342894560.db2.gz YYGZRAGXKVWMOJ-UHFFFAOYSA-N 0 2 284.218 1.782 10 5 CDBELN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000600520335 342229728 /nfs/dbraw/zinc/22/97/28/342229728.db2.gz FJCATSJJUWBQRJ-BXKDBHETSA-N 0 2 292.291 1.598 10 5 CDBELN CN(Cc1cc[nH]n1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436972827 362161568 /nfs/dbraw/zinc/16/15/68/362161568.db2.gz QCTPSVRWGOPAAM-UHFFFAOYSA-N 0 2 276.252 1.296 10 5 CDBELN CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1 ZINC000597443864 343538540 /nfs/dbraw/zinc/53/85/40/343538540.db2.gz YQULDRQTKCHGEV-UFBFGSQYSA-N 0 2 296.279 1.290 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000598182003 343730260 /nfs/dbraw/zinc/73/02/60/343730260.db2.gz ABDBJCAJZREFJU-RKDXNWHRSA-N 0 2 294.307 1.389 10 5 CDBELN C[C@@H]1SCC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000311831055 350723492 /nfs/dbraw/zinc/72/34/92/350723492.db2.gz GGBBFINGMDWXIZ-XVKPBYJWSA-N 0 2 282.321 1.924 10 5 CDBELN CO[C@@H](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336817807 356285104 /nfs/dbraw/zinc/28/51/04/356285104.db2.gz RXYNMEITPUBSEX-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN C[C@H]1COCC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336831530 356291429 /nfs/dbraw/zinc/29/14/29/356291429.db2.gz PZIZXVGNZQRNEV-KWQFWETISA-N 0 2 280.280 1.455 10 5 CDBELN COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000219817339 356462204 /nfs/dbraw/zinc/46/22/04/356462204.db2.gz VFIDIUFLEJRPTL-SNVBAGLBSA-N 0 2 294.263 1.078 10 5 CDBELN COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1O ZINC000014648900 357146414 /nfs/dbraw/zinc/14/64/14/357146414.db2.gz ZUMVAEAYEXQZRG-UHFFFAOYSA-N 0 2 290.227 1.777 10 5 CDBELN CC(C)[C@H](O)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547080 358552882 /nfs/dbraw/zinc/55/28/82/358552882.db2.gz VHPJLEYESQGSPC-LLVKDONJSA-N 0 2 268.269 1.646 10 5 CDBELN O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1O ZINC000184883320 189398454 /nfs/dbraw/zinc/39/84/54/189398454.db2.gz MGCDZGCPQZUJLF-MNOVXSKESA-N 0 2 280.280 1.334 10 5 CDBELN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[C@H](O)CC1 ZINC000275868934 193151282 /nfs/dbraw/zinc/15/12/82/193151282.db2.gz GQFSCCYZEYYHFB-HOMQSWHASA-N 0 2 294.307 1.676 10 5 CDBELN CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330599917 203023403 /nfs/dbraw/zinc/02/34/03/203023403.db2.gz GSLKBJGHQYAKSD-QPUJVOFHSA-N 0 2 280.280 1.143 10 5 CDBELN O=C(NC[C@@H]1CCCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000280812779 375024083 /nfs/dbraw/zinc/02/40/83/375024083.db2.gz RJLCBNHVINEQAD-QMMMGPOBSA-N 0 2 266.253 1.209 10 5 CDBELN CC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)O ZINC000293919736 375434108 /nfs/dbraw/zinc/43/41/08/375434108.db2.gz FFQPJOYKKNTQAU-JTQLQIEISA-N 0 2 282.296 1.580 10 5 CDBELN C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000294018809 375632131 /nfs/dbraw/zinc/63/21/31/375632131.db2.gz DZHZOQMJHNBMLN-YMTOWFKASA-N 0 2 294.307 1.581 10 5 CDBELN C[C@H](CCO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354057090 375671700 /nfs/dbraw/zinc/67/17/00/375671700.db2.gz QIFSPUPSVNGPOS-MRVPVSSYSA-N 0 2 268.269 1.049 10 5 CDBELN CC(C)[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354386191 375702713 /nfs/dbraw/zinc/70/27/13/375702713.db2.gz OYLWZCFVLZURKX-NSHDSACASA-N 0 2 268.269 1.047 10 5 CDBELN C[C@@H](O)C[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354611435 375734279 /nfs/dbraw/zinc/73/42/79/375734279.db2.gz INZUEZYYZJHBPD-JGVFFNPUSA-N 0 2 268.269 1.190 10 5 CDBELN CN(CCCCO)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355159908 375780836 /nfs/dbraw/zinc/78/08/36/375780836.db2.gz IHJQMVCRYWTUSH-UHFFFAOYSA-N 0 2 268.269 1.145 10 5 CDBELN COc1ccc(-c2noc([C@@H]3C[C@@H]3[N+](=O)[O-])n2)c(OC)c1 ZINC000069873945 379004833 /nfs/dbraw/zinc/00/48/33/379004833.db2.gz ZROHZYNMPQAWBH-ZJUUUORDSA-N 0 2 291.263 1.886 10 5 CDBELN CO[C@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000291793749 533103896 /nfs/dbraw/zinc/10/38/96/533103896.db2.gz AFICANBSCXKQIC-HTQZYQBOSA-N 0 2 268.269 1.454 10 5 CDBELN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000527179815 392975857 /nfs/dbraw/zinc/97/58/57/392975857.db2.gz DEGVKHYTFYGIQO-HTQZYQBOSA-N 0 2 250.254 1.923 10 5 CDBELN CC1(C)SC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355853054 157265676 /nfs/dbraw/zinc/26/56/76/157265676.db2.gz DRTGJOUAJCXTGU-SNVBAGLBSA-N 0 2 282.321 1.924 10 5 CDBELN Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000071276321 176107215 /nfs/dbraw/zinc/10/72/15/176107215.db2.gz WKMFQIXOIFQOKS-UHFFFAOYSA-N 0 2 276.252 1.639 10 5 CDBELN C[C@@H]1CC[C@@H](O)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000422007184 280744937 /nfs/dbraw/zinc/74/49/37/280744937.db2.gz BQSNDSNOBAOHBP-RKDXNWHRSA-N 0 2 280.280 1.286 10 5 CDBELN C[C@H]1C[C@H](C)N1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000557032132 290324156 /nfs/dbraw/zinc/32/41/56/290324156.db2.gz ZQKCWLWQNDKCBY-YUMQZZPRSA-N 0 2 250.254 1.923 10 5 CDBELN C[C@H]1COCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000278770315 300356642 /nfs/dbraw/zinc/35/66/42/300356642.db2.gz XTYDDDGUJLGWFC-GZMMTYOYSA-N 0 2 280.280 1.455 10 5 CDBELN CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cn[nH]c1 ZINC000050655820 522649244 /nfs/dbraw/zinc/64/92/44/522649244.db2.gz KYYREAFNKZJSEP-UHFFFAOYSA-N 0 2 297.296 1.160 10 5 CDBELN O=C(NC1(CCO)CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000340752198 527472376 /nfs/dbraw/zinc/47/23/76/527472376.db2.gz YYZMYRGEQJMRTR-UHFFFAOYSA-N 0 2 294.307 1.725 10 5 CDBELN O=C(Nc1n[nH]c2cc(F)ccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840434746 679730984 /nfs/dbraw/zinc/73/09/84/679730984.db2.gz ZKKJBUDGPMWJBJ-VXNVDRBHSA-N 0 2 264.216 1.306 10 5 CDBELN Cc1n[nH]c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001133906765 1163957818 /nfs/dbraw/zinc/95/78/18/1163957818.db2.gz ALTAKMAVHBGOBN-MNOVXSKESA-N 0 2 287.279 1.764 10 5 CDBELN Cc1nnc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC001637881928 1166795622 /nfs/dbraw/zinc/79/56/22/1166795622.db2.gz YSBRYSDPDZUBAY-UHFFFAOYSA-N 0 2 294.292 1.642 10 5 CDBELN CN1CC[C@@](C)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC001447268363 966737852 /nfs/dbraw/zinc/73/78/52/966737852.db2.gz PXQRERFIXCKPIQ-ZDUSSCGKSA-N 0 2 293.279 1.107 10 5 CDBELN CC1(C)[C@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436649734 398208150 /nfs/dbraw/zinc/20/81/50/398208150.db2.gz PXPCICWIJUVGBR-LLVKDONJSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(NCC1(CCO)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436994703 362250016 /nfs/dbraw/zinc/25/00/16/362250016.db2.gz FFHWZUSWNSKDAA-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cn[nH]c1 ZINC000436899926 299247172 /nfs/dbraw/zinc/24/71/72/299247172.db2.gz LSQNSDCBCFAAFI-ZETCQYMHSA-N 0 2 276.252 1.515 10 5 CDBELN COCCN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000282944638 357514403 /nfs/dbraw/zinc/51/44/03/357514403.db2.gz GTQVOBOLSHCRBP-UHFFFAOYSA-N 0 2 254.242 1.019 10 5 CDBELN Cc1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1 ZINC000166084849 359024815 /nfs/dbraw/zinc/02/48/15/359024815.db2.gz NGJRJZRPRJITTL-UHFFFAOYSA-N 0 2 288.263 1.960 10 5 CDBELN C[C@H](N(C)C(=O)c1cccc(O)c1[N+](=O)[O-])C(C)(C)O ZINC000296969389 200049224 /nfs/dbraw/zinc/04/92/24/200049224.db2.gz PUXZKBRHADAMJC-QMMMGPOBSA-N 0 2 282.296 1.532 10 5 CDBELN CC[C@H](C)[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355014866 360447358 /nfs/dbraw/zinc/44/73/58/360447358.db2.gz HEMPEDUYOYJIEV-UFBFGSQYSA-N 0 2 282.296 1.437 10 5 CDBELN COC1([C@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])CCC1 ZINC000413977227 241003120 /nfs/dbraw/zinc/00/31/20/241003120.db2.gz UFEBPXHADCNBON-VIFPVBQESA-N 0 2 294.307 1.988 10 5 CDBELN COC(=O)c1cc([N+](=O)[O-])cc(O)c1Br ZINC000575712094 373973430 /nfs/dbraw/zinc/97/34/30/373973430.db2.gz DYFUIGOADHZRNY-UHFFFAOYSA-N 0 2 276.042 1.850 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC([C@@H]2CCOC2)C1 ZINC000376096446 374538753 /nfs/dbraw/zinc/53/87/53/374538753.db2.gz WNVVEZNHDWQYPV-SECBINFHSA-N 0 2 292.291 1.409 10 5 CDBELN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000280823921 375025626 /nfs/dbraw/zinc/02/56/26/375025626.db2.gz SAPBYKCDNJMKJX-SSDOTTSWSA-N 0 2 250.254 1.829 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC[C@@H]1C1CC1 ZINC000283418344 375114333 /nfs/dbraw/zinc/11/43/33/375114333.db2.gz MAXNHOWUYDDDRP-LLVKDONJSA-N 0 2 292.291 1.551 10 5 CDBELN CCOC[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000353584893 375628767 /nfs/dbraw/zinc/62/87/67/375628767.db2.gz METOXHBTRHZDMP-SNVBAGLBSA-N 0 2 294.307 1.799 10 5 CDBELN O=C(NCC1(CO)CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354790596 375752011 /nfs/dbraw/zinc/75/20/11/375752011.db2.gz STWMKXWZHSSYTB-UHFFFAOYSA-N 0 2 280.280 1.193 10 5 CDBELN O=C(NCC(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000358304271 375960118 /nfs/dbraw/zinc/96/01/18/375960118.db2.gz SNVLYUQSPXQJNJ-UHFFFAOYSA-N 0 2 264.159 1.593 10 5 CDBELN CC1(C)[C@H](O)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000408379038 391165599 /nfs/dbraw/zinc/16/55/99/391165599.db2.gz YGHZLIYPHKFEIG-SNVBAGLBSA-N 0 2 280.280 1.286 10 5 CDBELN CC(C)[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436811523 391286647 /nfs/dbraw/zinc/28/66/47/391286647.db2.gz VHKRCXLYDMKQND-ZDUSSCGKSA-N 0 2 282.296 1.437 10 5 CDBELN CC(C)(O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272409392 391983284 /nfs/dbraw/zinc/98/32/84/391983284.db2.gz OHRCGOJJOTURHM-UHFFFAOYSA-N 0 2 282.296 1.580 10 5 CDBELN O=C(NCc1ccccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561978 140241680 /nfs/dbraw/zinc/24/16/80/140241680.db2.gz HHPYCENBJJBWQQ-UHFFFAOYSA-N 0 2 273.248 1.625 10 5 CDBELN CC(C)[C@@H](CO)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000345946707 153005781 /nfs/dbraw/zinc/00/57/81/153005781.db2.gz DLXDYAYQOGEKDX-SECBINFHSA-N 0 2 282.296 1.295 10 5 CDBELN C[C@@H](O)C[C@@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346401175 153171523 /nfs/dbraw/zinc/17/15/23/153171523.db2.gz YFPHYWOLJJPNEV-RKDXNWHRSA-N 0 2 282.296 1.437 10 5 CDBELN O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2nnn[n-]2)c1 ZINC000044928466 175279147 /nfs/dbraw/zinc/27/91/47/175279147.db2.gz GQFCYIPTHWAVBP-UHFFFAOYSA-N 0 2 268.664 1.051 10 5 CDBELN C[C@@H]1COCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000192826054 227296777 /nfs/dbraw/zinc/29/67/77/227296777.db2.gz DSLWATAOYSLJOK-PSASIEDQSA-N 0 2 280.280 1.912 10 5 CDBELN CO[C@H](C)CN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286584267 294264959 /nfs/dbraw/zinc/26/49/59/294264959.db2.gz RHRZIFDNNJGZIO-MRVPVSSYSA-N 0 2 268.269 1.407 10 5 CDBELN CCC[C@H](C)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000579723310 324266708 /nfs/dbraw/zinc/26/67/08/324266708.db2.gz BNUSWXPYEDQLCN-ONGXEEELSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@H]1COCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000192826038 534035500 /nfs/dbraw/zinc/03/55/00/534035500.db2.gz DSLWATAOYSLJOK-WPRPVWTQSA-N 0 2 280.280 1.912 10 5 CDBELN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000839722469 684704458 /nfs/dbraw/zinc/70/44/58/684704458.db2.gz HQNFBLMLEJHJIL-FBIMIBRVSA-N 0 2 278.312 1.766 10 5 CDBELN CO[C@H]1CC[C@H](C)N(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000870725790 687061773 /nfs/dbraw/zinc/06/17/73/687061773.db2.gz RZFOZISCIOXMJD-ONGXEEELSA-N 0 2 294.307 1.940 10 5 CDBELN CO[C@@H]1CC[C@@H](C)N(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000870725789 687590529 /nfs/dbraw/zinc/59/05/29/687590529.db2.gz RZFOZISCIOXMJD-MWLCHTKSSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(Nc1cccc(-c2cccnc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001585093140 1172876479 /nfs/dbraw/zinc/87/64/79/1172876479.db2.gz KYKIIAPHRUZVNH-ZYHUDNBSSA-N 0 2 284.275 1.747 10 5 CDBELN O=C(NC1=NCCS1)c1cc(O)ccc1[N+](=O)[O-] ZINC000788275761 929502367 /nfs/dbraw/zinc/50/23/67/929502367.db2.gz YYGKZIJLHFUZGO-UHFFFAOYSA-N 0 2 267.266 1.133 10 5 CDBELN CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1 ZINC001556081188 964995107 /nfs/dbraw/zinc/99/51/07/964995107.db2.gz LFYCYHOTGXOSNT-UHFFFAOYSA-N 0 2 277.240 1.164 10 5 CDBELN COc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1C ZINC001556081116 964995906 /nfs/dbraw/zinc/99/59/06/964995906.db2.gz IEJVDRBMDGMUSG-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ncon1 ZINC001558563881 965320070 /nfs/dbraw/zinc/32/00/70/965320070.db2.gz NLHZWDCSKOCEMM-UHFFFAOYSA-N 0 2 292.251 1.349 10 5 CDBELN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000600522155 342229869 /nfs/dbraw/zinc/22/98/69/342229869.db2.gz MSBHSSJDSJKYRL-TVQRCGJNSA-N 0 2 292.291 1.598 10 5 CDBELN CC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597709592 343607095 /nfs/dbraw/zinc/60/70/95/343607095.db2.gz ZIESVTJWHMAPBM-LLVKDONJSA-N 0 2 292.291 1.884 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H]2C[C@H]2C1 ZINC000598329503 343759712 /nfs/dbraw/zinc/75/97/12/343759712.db2.gz JMALEWMUUFHOPJ-IUCAKERBSA-N 0 2 262.265 1.782 10 5 CDBELN O=C(NCCOCCF)c1cc(O)ccc1[N+](=O)[O-] ZINC000598559458 343825091 /nfs/dbraw/zinc/82/50/91/343825091.db2.gz HUSBUEPGMSONSL-UHFFFAOYSA-N 0 2 272.232 1.016 10 5 CDBELN O=C(NC[C@@H]1CCC[C@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353491758 363408331 /nfs/dbraw/zinc/40/83/31/363408331.db2.gz KYNQQBNOSFFPQZ-QPUJVOFHSA-N 0 2 280.280 1.191 10 5 CDBELN CSCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235060216 359714722 /nfs/dbraw/zinc/71/47/22/359714722.db2.gz KEDPSXLRRDCTRO-UHFFFAOYSA-N 0 2 270.310 1.783 10 5 CDBELN CCO[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166141739 359698659 /nfs/dbraw/zinc/69/86/59/359698659.db2.gz DDHLBGCFVRGIBA-ZETCQYMHSA-N 0 2 254.242 1.664 10 5 CDBELN CO[C@]1(C)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000230268722 375550565 /nfs/dbraw/zinc/55/05/65/375550565.db2.gz RRKXLOWQOJUJGD-CQSZACIVSA-N 0 2 294.307 1.942 10 5 CDBELN C/C=C/C[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354901691 375759665 /nfs/dbraw/zinc/75/96/65/375759665.db2.gz ODCMKIUPGMUAOC-GKQMSVHHSA-N 0 2 280.280 1.357 10 5 CDBELN O=C(Nc1ccccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000222482564 140171283 /nfs/dbraw/zinc/17/12/83/140171283.db2.gz SPJAXTUSVSQNGF-UHFFFAOYSA-N 0 2 259.221 1.948 10 5 CDBELN Cn1cccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000231899402 140219959 /nfs/dbraw/zinc/21/99/59/140219959.db2.gz PEZNHFASYKWUHO-UHFFFAOYSA-N 0 2 275.264 1.569 10 5 CDBELN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OC ZINC000359347055 158221268 /nfs/dbraw/zinc/22/12/68/158221268.db2.gz SLBZHLXJCFXKFE-VIFPVBQESA-N 0 2 296.279 1.372 10 5 CDBELN CO[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000361655179 165087969 /nfs/dbraw/zinc/08/79/69/165087969.db2.gz OKBSOQXWMJYRRP-LLVKDONJSA-N 0 2 268.269 1.910 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000523407631 260221332 /nfs/dbraw/zinc/22/13/32/260221332.db2.gz JUGUWAFLPZNRBB-UWVGGRQHSA-N 0 2 262.265 1.925 10 5 CDBELN CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000331320898 288375158 /nfs/dbraw/zinc/37/51/58/288375158.db2.gz LNGIIXAAEHSXFY-MNOVXSKESA-N 0 2 294.307 1.533 10 5 CDBELN O=C(N=c1cc2ccccn2[nH]1)c1cccc(O)c1[N+](=O)[O-] ZINC000553001760 290089393 /nfs/dbraw/zinc/08/93/93/290089393.db2.gz PDWZJDPIKFLCJQ-UHFFFAOYSA-N 0 2 298.258 1.622 10 5 CDBELN C[C@H]1CC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000576129529 317082783 /nfs/dbraw/zinc/08/27/83/317082783.db2.gz BTXMTXUJXUOYRT-IUCAKERBSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccn1C ZINC001301631322 955965622 /nfs/dbraw/zinc/96/56/22/955965622.db2.gz AKUVYBGLJRWBPB-QMMMGPOBSA-N 0 2 290.279 1.525 10 5 CDBELN O=C(Cn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546178 342417707 /nfs/dbraw/zinc/41/77/07/342417707.db2.gz XGOJNTUGGUZZCI-UHFFFAOYSA-N 0 2 262.225 1.136 10 5 CDBELN O=C(NC[C@@H](CO)CC1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598293181 343757040 /nfs/dbraw/zinc/75/70/40/343757040.db2.gz NNZUQTUDNKNHGZ-JTQLQIEISA-N 0 2 294.307 1.439 10 5 CDBELN O=C(NC[C@H](CO)CC1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598293182 343757168 /nfs/dbraw/zinc/75/71/68/343757168.db2.gz NNZUQTUDNKNHGZ-SNVBAGLBSA-N 0 2 294.307 1.439 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H]2COC[C@@H]2C1 ZINC000598395622 343784886 /nfs/dbraw/zinc/78/48/86/343784886.db2.gz QBLXNCZTWAYGST-UWVGGRQHSA-N 0 2 292.291 1.409 10 5 CDBELN CC1(C)OCc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c21 ZINC000601935388 344285952 /nfs/dbraw/zinc/28/59/52/344285952.db2.gz TVBGTLCRJCJRRW-NSHDSACASA-N 0 2 275.264 1.722 10 5 CDBELN CO[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000292573255 198337013 /nfs/dbraw/zinc/33/70/13/198337013.db2.gz OVGXWGZNVSQVGS-SFYZADRCSA-N 0 2 268.269 1.454 10 5 CDBELN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)Nc2ccccc21 ZINC000072288082 356742093 /nfs/dbraw/zinc/74/20/93/356742093.db2.gz XZUIIJZUZYALHZ-LDYMZIIASA-N 0 2 275.264 1.027 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000297016105 360092065 /nfs/dbraw/zinc/09/20/65/360092065.db2.gz SROPALRQEWPHPV-OCAPTIKFSA-N 0 2 272.207 1.432 10 5 CDBELN CC(C)(C)C(=O)NCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183914191 189370822 /nfs/dbraw/zinc/37/08/22/189370822.db2.gz YRMIHMIFXORSSO-UHFFFAOYSA-N 0 2 295.295 1.401 10 5 CDBELN CC1(C)OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000295877578 370725272 /nfs/dbraw/zinc/72/52/72/370725272.db2.gz LXBJTYXXIWADSS-NSHDSACASA-N 0 2 280.280 1.598 10 5 CDBELN C[C@@H]1C[C@H](O)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000413969956 364801247 /nfs/dbraw/zinc/80/12/47/364801247.db2.gz FQOBCYVWPDUCJZ-BDAKNGLRSA-N 0 2 280.280 1.143 10 5 CDBELN NC(=O)c1cc(Br)c([N+](=O)[O-])cc1O ZINC000575692469 373864590 /nfs/dbraw/zinc/86/45/90/373864590.db2.gz XEYCWSFAIXMABF-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN CC[C@]1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330621909 374868238 /nfs/dbraw/zinc/86/82/38/374868238.db2.gz NATQCKOBIKIAFE-CQSZACIVSA-N 0 2 294.307 1.942 10 5 CDBELN O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353232454 375589754 /nfs/dbraw/zinc/58/97/54/375589754.db2.gz LGHOQIVNFXINJK-ZJUUUORDSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(N[C@H](CO)CC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000355334196 375791107 /nfs/dbraw/zinc/79/11/07/375791107.db2.gz CLVRJQDTCJUHFK-LURJTMIESA-N 0 2 290.222 1.046 10 5 CDBELN O=C(NC[C@H]1CCCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000280812775 194985137 /nfs/dbraw/zinc/98/51/37/194985137.db2.gz RJLCBNHVINEQAD-MRVPVSSYSA-N 0 2 266.253 1.209 10 5 CDBELN CO[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000188283823 390954167 /nfs/dbraw/zinc/95/41/67/390954167.db2.gz SDIMECGOMQEERR-PSASIEDQSA-N 0 2 280.280 1.598 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCOC1 ZINC000312509260 149232860 /nfs/dbraw/zinc/23/28/60/149232860.db2.gz GMHVZMAQDOUMAK-SNVBAGLBSA-N 0 2 280.280 1.551 10 5 CDBELN CC[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000421969218 288352095 /nfs/dbraw/zinc/35/20/95/288352095.db2.gz OMDOTEVFVGGRSC-MNOVXSKESA-N 0 2 294.307 1.988 10 5 CDBELN CO[C@@H]([C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000456589768 293559419 /nfs/dbraw/zinc/55/94/19/293559419.db2.gz XABSEXRBRLMGMP-OQPBUACISA-N 0 2 294.307 1.844 10 5 CDBELN C[C@H]1COCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000370578560 300339015 /nfs/dbraw/zinc/33/90/15/300339015.db2.gz AMTAUWFRQQZOGH-SECBINFHSA-N 0 2 280.280 1.409 10 5 CDBELN CCn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000183916125 323350142 /nfs/dbraw/zinc/35/01/42/323350142.db2.gz XULQVGLFLXARBZ-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CO1 ZINC000578630188 323981323 /nfs/dbraw/zinc/98/13/23/323981323.db2.gz UOKVWKJBQRKZQZ-JGVFFNPUSA-N 0 2 266.253 1.208 10 5 CDBELN C[C@H](CO)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354519779 524521316 /nfs/dbraw/zinc/52/13/16/524521316.db2.gz IAPCZZWDFKJTJO-VIFPVBQESA-N 0 2 282.296 1.439 10 5 CDBELN Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1 ZINC000050639006 527461787 /nfs/dbraw/zinc/46/17/87/527461787.db2.gz UYCQUZHLDSOOSC-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN C[C@@H]1CN=C(NC(=O)c2cc(O)ccc2[N+](=O)[O-])S1 ZINC000819782148 695562556 /nfs/dbraw/zinc/56/25/56/695562556.db2.gz NTWOXPLEICDNIP-ZCFIWIBFSA-N 0 2 281.293 1.522 10 5 CDBELN COc1nscc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001644758482 1167347029 /nfs/dbraw/zinc/34/70/29/1167347029.db2.gz KOIHBUFLNMYPRH-UHFFFAOYSA-N 0 2 269.238 1.905 10 5 CDBELN CSc1cccnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000846489355 725271262 /nfs/dbraw/zinc/27/12/62/725271262.db2.gz OGTDQOJWKLBDPS-RNFRBKRXSA-N 0 2 253.283 1.407 10 5 CDBELN CC1=NO[C@](C)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC001637881916 1166795181 /nfs/dbraw/zinc/79/51/81/1166795181.db2.gz YEEDYCBOYOWJKA-LBPRGKRZSA-N 0 2 279.252 1.794 10 5 CDBELN CC(=O)c1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc1C ZINC001273469379 916874403 /nfs/dbraw/zinc/87/44/03/916874403.db2.gz DMSCCUYSJPOJCK-RNFRBKRXSA-N 0 2 269.282 1.258 10 5 CDBELN COC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000592785726 342728230 /nfs/dbraw/zinc/72/82/30/342728230.db2.gz SUADDZHVUCRVBV-UHFFFAOYSA-N 0 2 252.226 1.418 10 5 CDBELN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1 ZINC000436830451 362236262 /nfs/dbraw/zinc/23/62/62/362236262.db2.gz DFFVPRNZRFCXFW-SNVBAGLBSA-N 0 2 280.280 1.551 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000598296529 343758145 /nfs/dbraw/zinc/75/81/45/343758145.db2.gz QWZWEYBZHCYGMO-ZJUUUORDSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(COC2)C1 ZINC000598404050 343790314 /nfs/dbraw/zinc/79/03/14/343790314.db2.gz QZMPHPATGVUFEU-UHFFFAOYSA-N 0 2 278.264 1.163 10 5 CDBELN COCC(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293638504 362796747 /nfs/dbraw/zinc/79/67/47/362796747.db2.gz FYMHBWVKXNMPBX-UHFFFAOYSA-N 0 2 282.296 1.703 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000357399531 303998826 /nfs/dbraw/zinc/99/88/26/303998826.db2.gz BJGOTGYCJJMMSQ-GGZOMVNGSA-N 0 2 278.264 1.664 10 5 CDBELN Cn1c[nH+]c(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000619573135 348652125 /nfs/dbraw/zinc/65/21/25/348652125.db2.gz UVFZVMUNCCPTLS-IHWYPQMZSA-N 0 2 274.236 1.592 10 5 CDBELN CC(C)[NH+]1CC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000341340449 357229894 /nfs/dbraw/zinc/22/98/94/357229894.db2.gz JNIVFKWQGJAOJP-UHFFFAOYSA-N 0 2 279.296 1.123 10 5 CDBELN CCCOCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166124087 359673093 /nfs/dbraw/zinc/67/30/93/359673093.db2.gz KMBBRDXRYWPGGE-UHFFFAOYSA-N 0 2 254.242 1.666 10 5 CDBELN C[C@@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000362473106 359822966 /nfs/dbraw/zinc/82/29/66/359822966.db2.gz LTIJXEAOEVJIBO-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN Cc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c[nH]1 ZINC000347314764 375500847 /nfs/dbraw/zinc/50/08/47/375500847.db2.gz SICYIRHOSUYJDX-UHFFFAOYSA-N 0 2 262.225 1.584 10 5 CDBELN CC[C@H](CCO)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280989908 195058520 /nfs/dbraw/zinc/05/85/20/195058520.db2.gz LQYSPLFLYZHZMR-SECBINFHSA-N 0 2 282.296 1.439 10 5 CDBELN O=C(NC[C@@H]1CC12CC2)c1cccc(O)c1[N+](=O)[O-] ZINC000416253077 391889526 /nfs/dbraw/zinc/88/95/26/391889526.db2.gz CEOHPHCQVIPUPE-QMMMGPOBSA-N 0 2 262.265 1.830 10 5 CDBELN O=C(NC[C@H]1CCSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000228578429 393407168 /nfs/dbraw/zinc/40/71/68/393407168.db2.gz FWQALMJKEQZEPJ-MRVPVSSYSA-N 0 2 282.321 1.783 10 5 CDBELN Cn1cnc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000186018971 140052309 /nfs/dbraw/zinc/05/23/09/140052309.db2.gz XGMDLVFQRUERJO-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000217316652 140163606 /nfs/dbraw/zinc/16/36/06/140163606.db2.gz QKXZZASNEUFRDL-RKDXNWHRSA-N 0 2 280.280 1.455 10 5 CDBELN Cn1ccc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000227239199 140182942 /nfs/dbraw/zinc/18/29/42/140182942.db2.gz JPDGCZPXAXWGIU-UHFFFAOYSA-N 0 2 290.279 1.006 10 5 CDBELN CCCN(CCO)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233023242 140225962 /nfs/dbraw/zinc/22/59/62/140225962.db2.gz GVJUCZVFZBXQPL-UHFFFAOYSA-N 0 2 268.269 1.145 10 5 CDBELN CCN(C[C@@H]1CCCO1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233461559 140226637 /nfs/dbraw/zinc/22/66/37/140226637.db2.gz DNYLPKRTWQNXAB-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN O=C(NCCc1cccnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561091 140240070 /nfs/dbraw/zinc/24/00/70/140240070.db2.gz ODFFXQJRJGIZPY-UHFFFAOYSA-N 0 2 287.275 1.668 10 5 CDBELN Cc1nccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000343078281 152024075 /nfs/dbraw/zinc/02/40/75/152024075.db2.gz KVNHTQGQSHKWME-UHFFFAOYSA-N 0 2 288.263 1.329 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](C2CC2)C1 ZINC000375340969 160370786 /nfs/dbraw/zinc/37/07/86/160370786.db2.gz LEXFQIGSLXUEIZ-CYBMUJFWSA-N 0 2 292.291 1.551 10 5 CDBELN CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000234090445 288272804 /nfs/dbraw/zinc/27/28/04/288272804.db2.gz UBVBBACRZLRSRP-JTQLQIEISA-N 0 2 280.280 1.551 10 5 CDBELN C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000049237795 524965851 /nfs/dbraw/zinc/96/58/51/524965851.db2.gz HELHOYMKZUEXCO-VIFPVBQESA-N 0 2 290.279 1.990 10 5 CDBELN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000428571500 535699953 /nfs/dbraw/zinc/69/99/53/535699953.db2.gz FPRMUGJROLJBHX-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc2n1CCC2 ZINC001610894982 1165475756 /nfs/dbraw/zinc/47/57/56/1165475756.db2.gz DUSSJZBRRBAMTD-UHFFFAOYSA-N 0 2 288.263 1.695 10 5 CDBELN CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001632236423 1166337063 /nfs/dbraw/zinc/33/70/63/1166337063.db2.gz OAXKSZWFBFHTFB-RKDXNWHRSA-N 0 2 294.263 1.438 10 5 CDBELN O=C(Nc1nc(-c2ccccc2)c[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001638522337 1166853243 /nfs/dbraw/zinc/85/32/43/1166853243.db2.gz NBKPCUPFAQECLF-MWLCHTKSSA-N 0 2 272.264 1.680 10 5 CDBELN O=C(NCCCCCCO)c1cc(O)ccc1[N+](=O)[O-] ZINC000803033042 726293970 /nfs/dbraw/zinc/29/39/70/726293970.db2.gz JZYGGRPQJWDPGG-UHFFFAOYSA-N 0 2 282.296 1.583 10 5 CDBELN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc3[nH]ccc3n2)no1 ZINC000844878101 727265830 /nfs/dbraw/zinc/26/58/30/727265830.db2.gz PMOWRGOOEUDRLD-LHLIQPBNSA-N 0 2 271.236 1.746 10 5 CDBELN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])cnc2O)cc(C)[nH]1 ZINC001336025734 960161602 /nfs/dbraw/zinc/16/16/02/960161602.db2.gz FFRSFXADCNTOKI-UHFFFAOYSA-N 0 2 288.263 1.381 10 5 CDBELN CC(C)(C)OCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000308554773 342771664 /nfs/dbraw/zinc/77/16/64/342771664.db2.gz KEXDUDRLHTYPDM-UHFFFAOYSA-N 0 2 282.296 1.845 10 5 CDBELN C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000593289544 342784773 /nfs/dbraw/zinc/78/47/73/342784773.db2.gz XWTFZDPVPQLEKF-TVQRCGJNSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000593289544 342784774 /nfs/dbraw/zinc/78/47/74/342784774.db2.gz XWTFZDPVPQLEKF-TVQRCGJNSA-N 0 2 294.307 1.986 10 5 CDBELN Cc1c(C[N@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000600673493 342241152 /nfs/dbraw/zinc/24/11/52/342241152.db2.gz DHJPLZMGTFAYKW-RNCFNFMXSA-N 0 2 294.307 1.577 10 5 CDBELN Cc1c(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000600673493 342241153 /nfs/dbraw/zinc/24/11/53/342241153.db2.gz DHJPLZMGTFAYKW-RNCFNFMXSA-N 0 2 294.307 1.577 10 5 CDBELN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)O1 ZINC000598211423 343733517 /nfs/dbraw/zinc/73/35/17/343733517.db2.gz FGXVPMIYFKPGPQ-KOLCDFICSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H]2COC[C@@H]2C1 ZINC000598394808 343784517 /nfs/dbraw/zinc/78/45/17/343784517.db2.gz NHSDELBVLXYUAO-ZJUUUORDSA-N 0 2 292.291 1.409 10 5 CDBELN O=C([O-])c1cc2[nH+]c3n(c2cc1[N+](=O)[O-])CCCC3 ZINC000616581971 358760505 /nfs/dbraw/zinc/76/05/05/358760505.db2.gz MUSXMFHLLIXBHO-UHFFFAOYSA-N 0 2 261.237 1.979 10 5 CDBELN O=C(NCc1ccncc1)c1cccc(O)c1[N+](=O)[O-] ZINC000350781946 358961731 /nfs/dbraw/zinc/96/17/31/358961731.db2.gz RYGVWIKMJIXWBE-UHFFFAOYSA-N 0 2 273.248 1.625 10 5 CDBELN CO[C@H](C)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297169097 294235996 /nfs/dbraw/zinc/23/59/96/294235996.db2.gz WMEFUCPRHRNEJQ-MRVPVSSYSA-N 0 2 268.269 1.455 10 5 CDBELN CN(CCCCO)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000276403679 193316972 /nfs/dbraw/zinc/31/69/72/193316972.db2.gz HDTOPEITKOBUDB-UHFFFAOYSA-N 0 2 268.269 1.145 10 5 CDBELN Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000179440431 372281018 /nfs/dbraw/zinc/28/10/18/372281018.db2.gz JAGGZOQWBUDIAJ-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC2(CCC2)C1 ZINC000280953122 375030560 /nfs/dbraw/zinc/03/05/60/375030560.db2.gz IWILWHFIQHGWQE-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN CC(C)O[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000457864969 391653503 /nfs/dbraw/zinc/65/35/03/391653503.db2.gz FATWRRRVCABSSL-JGZJWPJOSA-N 0 2 294.307 1.986 10 5 CDBELN CC(C)OCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316462 140163956 /nfs/dbraw/zinc/16/39/56/140163956.db2.gz NFOSJJCUYIHDIG-UHFFFAOYSA-N 0 2 268.269 1.455 10 5 CDBELN CC[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000421996946 288341504 /nfs/dbraw/zinc/34/15/04/288341504.db2.gz WEZRTFQOANASEP-UWVGGRQHSA-N 0 2 294.307 1.988 10 5 CDBELN CO[C@@H]([C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000388279056 323785633 /nfs/dbraw/zinc/78/56/33/323785633.db2.gz KFGZLWNGKDKSIJ-SDBXPKJASA-N 0 2 294.307 1.844 10 5 CDBELN Nc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccnc2)c1 ZINC000050639007 527502833 /nfs/dbraw/zinc/50/28/33/527502833.db2.gz NICPNEINASVHNZ-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)[nH]n1 ZINC001453506558 968323911 /nfs/dbraw/zinc/32/39/11/968323911.db2.gz YEOSFKYKDQMQPF-UHFFFAOYSA-N 0 2 278.224 1.284 10 5 CDBELN COc1cccc2[nH]c(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nc21 ZINC001536836645 969634757 /nfs/dbraw/zinc/63/47/57/969634757.db2.gz RSOLOSSPQZFUTM-HTRCEHHLSA-N 0 2 276.252 1.175 10 5 CDBELN O=C(Nc1cc(-c2ccccc2)on1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001650814431 1171258646 /nfs/dbraw/zinc/25/86/46/1171258646.db2.gz FOWREJIRKRKEBW-NXEZZACHSA-N 0 2 273.248 1.945 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC12CCOCC2 ZINC000597945473 343675644 /nfs/dbraw/zinc/67/56/44/343675644.db2.gz PKHMFBIOAKLCDW-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598060011 343698780 /nfs/dbraw/zinc/69/87/80/343698780.db2.gz LECPWNBEEMQQBF-CZMCAQCFSA-N 0 2 280.280 1.598 10 5 CDBELN Cn1cc(Nc2ncc([N+](=O)[O-])c(N)n2)c(C2CC2)n1 ZINC000292397530 198272806 /nfs/dbraw/zinc/27/28/06/198272806.db2.gz RJDNCBBVQMVKCX-UHFFFAOYSA-N 0 2 275.272 1.322 10 5 CDBELN CO[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@@H]1C ZINC000187971610 357830283 /nfs/dbraw/zinc/83/02/83/357830283.db2.gz IJMMAVPRXYRIOW-ZANVPECISA-N 0 2 294.307 1.797 10 5 CDBELN CN(CC1(CO)CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000189101081 357971790 /nfs/dbraw/zinc/97/17/90/357971790.db2.gz GUXQZJNVLGWQGR-UHFFFAOYSA-N 0 2 280.280 1.145 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000361658606 358408018 /nfs/dbraw/zinc/40/80/18/358408018.db2.gz GEQJLPPIAVGQLU-GGZOMVNGSA-N 0 2 278.264 1.664 10 5 CDBELN O=C(N[C@H]1CCC[C@H]1CO)c1cccc(O)c1[N+](=O)[O-] ZINC000456773316 364774233 /nfs/dbraw/zinc/77/42/33/364774233.db2.gz KOSDLTKNJHDQCZ-WPRPVWTQSA-N 0 2 280.280 1.191 10 5 CDBELN CCOC(=O)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000457075784 365379062 /nfs/dbraw/zinc/37/90/62/365379062.db2.gz NCPFQAGTYQUDAW-QMMMGPOBSA-N 0 2 296.279 1.324 10 5 CDBELN COCCCCN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000416339184 241960838 /nfs/dbraw/zinc/96/08/38/241960838.db2.gz LYZQELDUZYRIDW-UHFFFAOYSA-N 0 2 282.296 1.799 10 5 CDBELN CC[C@H](COC)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280683990 375014938 /nfs/dbraw/zinc/01/49/38/375014938.db2.gz CRGIUYLKRAQTAP-MRVPVSSYSA-N 0 2 268.269 1.455 10 5 CDBELN O=C(Nc1nc(C2CC2)cs1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000044487550 390919662 /nfs/dbraw/zinc/91/96/62/390919662.db2.gz VOMZNOZRDNTUPM-XPUUQOCRSA-N 0 2 253.283 1.624 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000229720594 140203518 /nfs/dbraw/zinc/20/35/18/140203518.db2.gz AXYIUJMVPJAAOW-ZETCQYMHSA-N 0 2 276.252 1.515 10 5 CDBELN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000044621122 175219762 /nfs/dbraw/zinc/21/97/62/175219762.db2.gz WVNIXAQORXPYRX-JTQLQIEISA-N 0 2 295.295 1.328 10 5 CDBELN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000044621122 175219763 /nfs/dbraw/zinc/21/97/63/175219763.db2.gz WVNIXAQORXPYRX-JTQLQIEISA-N 0 2 295.295 1.328 10 5 CDBELN CO[C@]1(c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CCSC1 ZINC000903865133 626123145 /nfs/dbraw/zinc/12/31/45/626123145.db2.gz CEGRTMLMYSPIKK-BRDIYROLSA-N 0 2 271.298 1.181 10 5 CDBELN O=C(Nc1cnc2nccn2c1)c1ccc([N+](=O)[O-])cc1O ZINC001633447760 1166421872 /nfs/dbraw/zinc/42/18/72/1166421872.db2.gz PEALPBBFQVGAAV-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC001644018653 1167288220 /nfs/dbraw/zinc/28/82/20/1167288220.db2.gz NPTBCESHALCJJZ-WZRBSPASSA-N 0 2 292.291 1.598 10 5 CDBELN CN(OCC(F)(F)F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000863845856 731894183 /nfs/dbraw/zinc/89/41/83/731894183.db2.gz YPAMAMJGXZJEON-UHFFFAOYSA-N 0 2 294.185 1.866 10 5 CDBELN O=C(NOCC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000817367701 930511549 /nfs/dbraw/zinc/51/15/49/930511549.db2.gz IZYDTHSMSSXGFN-UHFFFAOYSA-N 0 2 252.226 1.372 10 5 CDBELN CSc1cccnc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001164569862 939494455 /nfs/dbraw/zinc/49/44/55/939494455.db2.gz ZAIVPVNJJGFIHZ-UHFFFAOYSA-N 0 2 279.281 1.687 10 5 CDBELN O=C(Nc1ncc(-c2ccccc2)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001436085217 962132271 /nfs/dbraw/zinc/13/22/71/962132271.db2.gz QSIVOMHWSBHGLS-VXGBXAGGSA-N 0 2 284.275 1.747 10 5 CDBELN O=[N+]([O-])c1ccnn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001458923462 969367124 /nfs/dbraw/zinc/36/71/24/969367124.db2.gz QXVDVRUKVUTFHU-UHFFFAOYSA-N 0 2 264.197 1.453 10 5 CDBELN O=c1[nH]nc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)[nH]1 ZINC000591926599 342658941 /nfs/dbraw/zinc/65/89/41/342658941.db2.gz RCBDOSGQCAUCED-UHFFFAOYSA-N 0 2 290.283 1.304 10 5 CDBELN CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600365227 342159364 /nfs/dbraw/zinc/15/93/64/342159364.db2.gz FMGQRGLETCFOMD-YPMHNXCESA-N 0 2 280.280 1.598 10 5 CDBELN CCn1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000342964162 362225728 /nfs/dbraw/zinc/22/57/28/362225728.db2.gz WOGLOCHGRDENJV-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]2C[C@H]2C1 ZINC000598327024 343767392 /nfs/dbraw/zinc/76/73/92/343767392.db2.gz BYRQFSHYVXSVFO-IUCAKERBSA-N 0 2 262.265 1.782 10 5 CDBELN CCOC(=O)C(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273192840 192070492 /nfs/dbraw/zinc/07/04/92/192070492.db2.gz JOZSEMLXMUUTIP-UHFFFAOYSA-N 0 2 296.279 1.828 10 5 CDBELN CCCn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1 ZINC000614271966 348051567 /nfs/dbraw/zinc/05/15/67/348051567.db2.gz HPZQZWFYVFBRCD-UHFFFAOYSA-N 0 2 291.267 1.554 10 5 CDBELN C[C@@H]1CC[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])O1 ZINC000457372904 366165868 /nfs/dbraw/zinc/16/58/68/366165868.db2.gz QRVPPSFVLHEYQD-BDAKNGLRSA-N 0 2 280.280 1.598 10 5 CDBELN NC(=O)c1cc(Br)c(O)cc1[N+](=O)[O-] ZINC000575690803 357238412 /nfs/dbraw/zinc/23/84/12/357238412.db2.gz BRAQNYZXFKRVEX-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN Cc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000339261005 359339506 /nfs/dbraw/zinc/33/95/06/359339506.db2.gz QECBFQNGOKKPTR-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1=CCCCO1 ZINC000166185037 359748017 /nfs/dbraw/zinc/74/80/17/359748017.db2.gz YBFHSHCBTOHHGG-UHFFFAOYSA-N 0 2 264.237 1.933 10 5 CDBELN CC1(C)[C@H](O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436835160 364965678 /nfs/dbraw/zinc/96/56/78/364965678.db2.gz ULSURUNICLRDJL-LLVKDONJSA-N 0 2 280.280 1.286 10 5 CDBELN C[C@@H](F)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000356707268 373026811 /nfs/dbraw/zinc/02/68/11/373026811.db2.gz QPKSIJMAGDFAOL-SSDOTTSWSA-N 0 2 256.233 1.778 10 5 CDBELN COC(=O)Cc1cc(O)cc(Br)c1[N+](=O)[O-] ZINC000575713030 373975005 /nfs/dbraw/zinc/97/50/05/373975005.db2.gz SGWCQHVECVRJKM-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN CC[C@H](C)[C@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353483772 375615784 /nfs/dbraw/zinc/61/57/84/375615784.db2.gz SOFSLQQERIYBAV-LKFCYVNXSA-N 0 2 296.323 1.827 10 5 CDBELN COc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000354688460 375741455 /nfs/dbraw/zinc/74/14/55/375741455.db2.gz BASFPDWEGZMHOP-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ncon1 ZINC000346858703 153330533 /nfs/dbraw/zinc/33/05/33/153330533.db2.gz YHZCCKWZQUDRTM-LURJTMIESA-N 0 2 278.224 1.174 10 5 CDBELN O=C([O-])c1cc([N+](=O)[O-])ccc1NCCCn1cc[nH+]c1 ZINC000020303808 171140546 /nfs/dbraw/zinc/14/05/46/171140546.db2.gz OTPFMSNOUNZCRJ-UHFFFAOYSA-N 0 2 290.279 1.992 10 5 CDBELN Cc1nc(Sc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000192749892 270298531 /nfs/dbraw/zinc/29/85/31/270298531.db2.gz YHPKXPVJWDRMJB-UHFFFAOYSA-N 0 2 253.243 1.273 10 5 CDBELN CCCCN(CCCO)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556960235 290319401 /nfs/dbraw/zinc/31/94/01/290319401.db2.gz OXCQTYYLLOLSDS-UHFFFAOYSA-N 0 2 296.323 1.925 10 5 CDBELN CCC/C=C\[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013072 936454086 /nfs/dbraw/zinc/45/40/86/936454086.db2.gz DHXMEWMKDFNRKE-QMAVJUDZSA-N 0 2 280.280 1.956 10 5 CDBELN O=C(Nc1nccc(-c2ccccc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264298861 944108123 /nfs/dbraw/zinc/10/81/23/944108123.db2.gz KKYGMUQPGUHMCV-ZYHUDNBSSA-N 0 2 284.275 1.747 10 5 CDBELN CCN1CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001556080971 964993046 /nfs/dbraw/zinc/99/30/46/964993046.db2.gz BDWNYYSLLASCJT-JTQLQIEISA-N 0 2 265.269 1.333 10 5 CDBELN O=C(NCCc1ccns1)c1ccc([N+](=O)[O-])cc1O ZINC001558123428 965235482 /nfs/dbraw/zinc/23/54/82/965235482.db2.gz FOEVSVLCJQPSCP-UHFFFAOYSA-N 0 2 293.304 1.729 10 5 CDBELN O=C(CC1(O)CCOCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC001466629351 969981573 /nfs/dbraw/zinc/98/15/73/969981573.db2.gz ZCTLFVJEMQWOAE-UHFFFAOYSA-N 0 2 296.279 1.171 10 5 CDBELN CN(CC1(C)COC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600304403 342055662 /nfs/dbraw/zinc/05/56/62/342055662.db2.gz LIJAICUMTIUUSS-UHFFFAOYSA-N 0 2 280.280 1.409 10 5 CDBELN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000600673439 342241080 /nfs/dbraw/zinc/24/10/80/342241080.db2.gz CPMFIVOJBZKSQB-NRUUGDAUSA-N 0 2 294.307 1.830 10 5 CDBELN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000600673439 342241081 /nfs/dbraw/zinc/24/10/81/342241081.db2.gz CPMFIVOJBZKSQB-NRUUGDAUSA-N 0 2 294.307 1.830 10 5 CDBELN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1nncs1 ZINC000436927918 362133706 /nfs/dbraw/zinc/13/37/06/362133706.db2.gz AMWVNYJRPQFUID-UHFFFAOYSA-N 0 2 280.265 1.429 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCCN1 ZINC000597641398 343589718 /nfs/dbraw/zinc/58/97/18/343589718.db2.gz CEFJACFGBYBQLR-UHFFFAOYSA-N 0 2 251.242 1.041 10 5 CDBELN O=C(NCCC1CSC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597790540 343636527 /nfs/dbraw/zinc/63/65/27/343636527.db2.gz ZSQOQYJVAZFFNJ-UHFFFAOYSA-N 0 2 282.321 1.783 10 5 CDBELN COC[C@@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000597894689 343660710 /nfs/dbraw/zinc/66/07/10/343660710.db2.gz RUNZDUGWKVZMFP-SNVBAGLBSA-N 0 2 298.295 1.082 10 5 CDBELN O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1O ZINC000598308053 343762551 /nfs/dbraw/zinc/76/25/51/343762551.db2.gz LINJTJMARZBCAP-RYUDHWBXSA-N 0 2 292.291 1.334 10 5 CDBELN O=c1[nH]nc(Sc2ncnc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000619745463 349886050 /nfs/dbraw/zinc/88/60/50/349886050.db2.gz JVRYKGVWIYCOJK-UHFFFAOYSA-N 0 2 290.264 1.513 10 5 CDBELN Cc1nc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000235952101 362946141 /nfs/dbraw/zinc/94/61/41/362946141.db2.gz RVOMSZNVZBQOMS-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@](F)(CO)C1 ZINC000286782674 358002669 /nfs/dbraw/zinc/00/26/69/358002669.db2.gz LDROKFMPFRDEGY-ZDUSSCGKSA-N 0 2 298.270 1.237 10 5 CDBELN O=C(NC1(C(F)F)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000337704069 358112523 /nfs/dbraw/zinc/11/25/23/358112523.db2.gz WPAHITHKYATZEG-UHFFFAOYSA-N 0 2 272.207 1.828 10 5 CDBELN CO[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000217316843 358746573 /nfs/dbraw/zinc/74/65/73/358746573.db2.gz OKEPLPSXTJHMFP-NOZJJQNGSA-N 0 2 294.307 1.797 10 5 CDBELN CCn1cc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000548078367 360032144 /nfs/dbraw/zinc/03/21/44/360032144.db2.gz BAUACRJQVGMIRC-UHFFFAOYSA-N 0 2 290.279 1.698 10 5 CDBELN O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(O)ccc1[N+](=O)[O-] ZINC000354810163 360172693 /nfs/dbraw/zinc/17/26/93/360172693.db2.gz BOOBFXRLHBYBCD-BXKDBHETSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@H]1[C@@H](CO)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000414029126 361060846 /nfs/dbraw/zinc/06/08/46/361060846.db2.gz IEWKKSDGNCJIBF-VHSXEESVSA-N 0 2 294.307 1.533 10 5 CDBELN CC(C)OC(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000348664319 367612837 /nfs/dbraw/zinc/61/28/37/367612837.db2.gz RIFORYBFQZDBCP-UHFFFAOYSA-N 0 2 296.279 1.372 10 5 CDBELN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330367744 374848401 /nfs/dbraw/zinc/84/84/01/374848401.db2.gz FIPJYNWYDACDQS-ZJUUUORDSA-N 0 2 294.307 1.676 10 5 CDBELN COC[C@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000293945675 375459303 /nfs/dbraw/zinc/45/93/03/375459303.db2.gz PRSJOSNVAPEQAO-SECBINFHSA-N 0 2 266.253 1.161 10 5 CDBELN C[C@@H](CCO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354057091 375671204 /nfs/dbraw/zinc/67/12/04/375671204.db2.gz QIFSPUPSVNGPOS-QMMMGPOBSA-N 0 2 268.269 1.049 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000300295725 376064243 /nfs/dbraw/zinc/06/42/43/376064243.db2.gz QJBIHWHZNPSTBR-LJUAHTATSA-N 0 2 292.291 1.143 10 5 CDBELN C[C@@H]1C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CO1 ZINC000489969947 253020120 /nfs/dbraw/zinc/02/01/20/253020120.db2.gz FJJLPLMJMOTXOW-SFYZADRCSA-N 0 2 266.253 1.664 10 5 CDBELN CS[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316488 140163823 /nfs/dbraw/zinc/16/38/23/140163823.db2.gz GPNIUHQUEIVTNS-SSDOTTSWSA-N 0 2 270.310 1.782 10 5 CDBELN O=C(NCC[C@@H]1CCCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000229982904 140204471 /nfs/dbraw/zinc/20/44/71/140204471.db2.gz BBBTWLFBFNMNOJ-NSHDSACASA-N 0 2 294.307 1.989 10 5 CDBELN O=C(NCCOC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000355156753 156880370 /nfs/dbraw/zinc/88/03/70/156880370.db2.gz DHHZBCDTSVIFQQ-UHFFFAOYSA-N 0 2 294.185 1.567 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCOC2(CCC2)C1 ZINC000376119592 304501935 /nfs/dbraw/zinc/50/19/35/304501935.db2.gz WPSRYHFJBOUMDG-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN CC1(C)CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)O1 ZINC000187344223 281106367 /nfs/dbraw/zinc/10/63/67/281106367.db2.gz JIWUETWAZKNYOB-JTQLQIEISA-N 0 2 294.307 1.988 10 5 CDBELN O=C(N=c1cc2ccccn2[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000561152822 293055270 /nfs/dbraw/zinc/05/52/70/293055270.db2.gz HHMLAADAGQZAOE-UHFFFAOYSA-N 0 2 298.258 1.622 10 5 CDBELN O=C(N[C@H]1CCn2ccnc21)c1ccc([N+](=O)[O-])cc1O ZINC001636159416 1166657747 /nfs/dbraw/zinc/65/77/47/1166657747.db2.gz YBCVBOYUJOUKOE-JTQLQIEISA-N 0 2 288.263 1.372 10 5 CDBELN O=C(NOC1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000803030537 737822234 /nfs/dbraw/zinc/82/22/34/737822234.db2.gz XITQYRGWSKZOLW-UHFFFAOYSA-N 0 2 266.253 1.904 10 5 CDBELN O=C(CCc1ccon1)Nc1cc([N+](=O)[O-])ccc1O ZINC001447271918 966737032 /nfs/dbraw/zinc/73/70/32/966737032.db2.gz YJKPPNCSXLVAAA-UHFFFAOYSA-N 0 2 277.236 1.860 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2cncnc2C1 ZINC001468474229 970167295 /nfs/dbraw/zinc/16/72/95/970167295.db2.gz HSALBOMBNQPXRU-UHFFFAOYSA-N 0 2 286.247 1.246 10 5 CDBELN CC[C@H](C)C[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592874191 342742683 /nfs/dbraw/zinc/74/26/83/342742683.db2.gz PIZPBDDONYPMEX-VHSXEESVSA-N 0 2 296.323 1.827 10 5 CDBELN CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC000592859550 342739175 /nfs/dbraw/zinc/73/91/75/342739175.db2.gz MIDBUSMDXWPTMT-MRVPVSSYSA-N 0 2 296.279 1.229 10 5 CDBELN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000086334553 179273662 /nfs/dbraw/zinc/27/36/62/179273662.db2.gz QMPYEPGBVHTAPD-JQWIXIFHSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CO1 ZINC000578630190 356761856 /nfs/dbraw/zinc/76/18/56/356761856.db2.gz UOKVWKJBQRKZQZ-YUMQZZPRSA-N 0 2 266.253 1.208 10 5 CDBELN COC[C@@H]1CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000567955006 293915785 /nfs/dbraw/zinc/91/57/85/293915785.db2.gz SETATSYLFUXDJK-QMMMGPOBSA-N 0 2 266.253 1.161 10 5 CDBELN Cc1noc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000352102056 375353093 /nfs/dbraw/zinc/35/30/93/375353093.db2.gz HSAUUUXKVUMXAE-ZCFIWIBFSA-N 0 2 292.251 1.483 10 5 CDBELN COC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293910462 375423995 /nfs/dbraw/zinc/42/39/95/375423995.db2.gz MHBNMVNHEZNJRX-SECBINFHSA-N 0 2 266.253 1.161 10 5 CDBELN CC(C)[C@@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281023419 195073105 /nfs/dbraw/zinc/07/31/05/195073105.db2.gz OOOIZWWFGKLTFJ-JTQLQIEISA-N 0 2 268.269 1.047 10 5 CDBELN C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CS1 ZINC000397974543 391637638 /nfs/dbraw/zinc/63/76/38/391637638.db2.gz OFOGXYSPWIMIBK-HTQZYQBOSA-N 0 2 282.321 1.924 10 5 CDBELN Cn1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1=O ZINC000166138663 139928072 /nfs/dbraw/zinc/92/80/72/139928072.db2.gz KEACYWZNDJKNDZ-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN O=C(NCCC1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000314350008 149253714 /nfs/dbraw/zinc/25/37/14/149253714.db2.gz IBWBRMITQSNHKO-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN CC[C@@H](O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354965905 156760115 /nfs/dbraw/zinc/76/01/15/156760115.db2.gz UGPWPLCIHPXSCP-MRVPVSSYSA-N 0 2 268.269 1.191 10 5 CDBELN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])o1 ZINC000035297628 172111051 /nfs/dbraw/zinc/11/10/51/172111051.db2.gz XJPANSQRLYZMCN-VIFPVBQESA-N 0 2 254.242 1.627 10 5 CDBELN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])o1 ZINC000035297628 172111053 /nfs/dbraw/zinc/11/10/53/172111053.db2.gz XJPANSQRLYZMCN-VIFPVBQESA-N 0 2 254.242 1.627 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@]12CCOC2 ZINC001643042033 1167221829 /nfs/dbraw/zinc/22/18/29/1167221829.db2.gz RENNLZYJNYPVHL-ZDUSSCGKSA-N 0 2 278.264 1.305 10 5 CDBELN O=C(NC[C@H]1C=CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000711739125 740613045 /nfs/dbraw/zinc/61/30/45/740613045.db2.gz ZWGJLHIPDONAKT-VIFPVBQESA-N 0 2 262.265 1.996 10 5 CDBELN CCc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]n1 ZINC000796389018 742398395 /nfs/dbraw/zinc/39/83/95/742398395.db2.gz WMQIMAHKARDLNH-UHFFFAOYSA-N 0 2 290.279 1.516 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ns[nH]c1=O ZINC001138013053 936454457 /nfs/dbraw/zinc/45/44/57/936454457.db2.gz CEYFHDFJZMWNAA-UHFFFAOYSA-N 0 2 282.237 1.110 10 5 CDBELN O=c1[nH]nc(CNc2nccc3c2cccc3[N+](=O)[O-])[nH]1 ZINC001185668240 919715433 /nfs/dbraw/zinc/71/54/33/919715433.db2.gz ROECJUUHBMVZAW-UHFFFAOYSA-N 0 2 286.251 1.579 10 5 CDBELN COCC[C@@H](COC)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436814953 361745415 /nfs/dbraw/zinc/74/54/15/361745415.db2.gz JEAXESXQCFOZEE-VIFPVBQESA-N 0 2 298.295 1.082 10 5 CDBELN COc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000618915638 349554398 /nfs/dbraw/zinc/55/43/98/349554398.db2.gz GWSGENLRLJUXRA-UHFFFAOYSA-N 0 2 296.264 1.413 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CC2(F)F)C1 ZINC000594380676 342893474 /nfs/dbraw/zinc/89/34/74/342893474.db2.gz SACZYAZLFXRCGK-UHFFFAOYSA-N 0 2 284.218 1.782 10 5 CDBELN COC1CC(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000597860901 343649407 /nfs/dbraw/zinc/64/94/07/343649407.db2.gz IPLFJUNRVDZUIG-UHFFFAOYSA-N 0 2 294.307 1.845 10 5 CDBELN CCOC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273227311 192081585 /nfs/dbraw/zinc/08/15/85/192081585.db2.gz NYHWIMABXBHTDA-UHFFFAOYSA-N 0 2 296.279 1.372 10 5 CDBELN CN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179473030 189197049 /nfs/dbraw/zinc/19/70/49/189197049.db2.gz GEHMWALUUBPZQK-SNVBAGLBSA-N 0 2 280.280 1.551 10 5 CDBELN CO[C@H]([C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000456589766 364609739 /nfs/dbraw/zinc/60/97/39/364609739.db2.gz XABSEXRBRLMGMP-AMIZOPFISA-N 0 2 294.307 1.844 10 5 CDBELN Cc1nnsc1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000344641622 372791395 /nfs/dbraw/zinc/79/13/95/372791395.db2.gz QOYQRFXRTYHIPK-UHFFFAOYSA-N 0 2 294.292 1.390 10 5 CDBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccs2)s1 ZINC000064243964 373868586 /nfs/dbraw/zinc/86/85/86/373868586.db2.gz HZVMNACYXBGLJG-UHFFFAOYSA-N 0 2 291.335 1.914 10 5 CDBELN CC[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(=O)OC ZINC000276819956 374750864 /nfs/dbraw/zinc/75/08/64/374750864.db2.gz ACZXNBHNMNFOKM-QMMMGPOBSA-N 0 2 282.252 1.438 10 5 CDBELN C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC(=O)NC1 ZINC000282686173 375099372 /nfs/dbraw/zinc/09/93/72/375099372.db2.gz JMYXIMVXFKCCGN-CYBMUJFWSA-N 0 2 293.279 1.155 10 5 CDBELN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cncnc1 ZINC000433381360 248031828 /nfs/dbraw/zinc/03/18/28/248031828.db2.gz JLRQOAQQAWVWNW-QMMMGPOBSA-N 0 2 288.263 1.833 10 5 CDBELN O=C(N[C@H](CO)CC1CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000293684928 391115531 /nfs/dbraw/zinc/11/55/31/391115531.db2.gz HLDADGLAYVHWFM-JTQLQIEISA-N 0 2 294.307 1.581 10 5 CDBELN CCc1nn(C)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186012228 140052923 /nfs/dbraw/zinc/05/29/23/140052923.db2.gz VXEYTQJXEGREJJ-UHFFFAOYSA-N 0 2 290.279 1.849 10 5 CDBELN CCN(CC(C)(C)O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315956 140164030 /nfs/dbraw/zinc/16/40/30/140164030.db2.gz HZKGKMNNQOWAKF-UHFFFAOYSA-N 0 2 282.296 1.533 10 5 CDBELN CN(Cc1cccnc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234308584 140229241 /nfs/dbraw/zinc/22/92/41/140229241.db2.gz UDYWAOSJFJOAFX-UHFFFAOYSA-N 0 2 287.275 1.968 10 5 CDBELN CC(C)(C)C[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353785690 156083256 /nfs/dbraw/zinc/08/32/56/156083256.db2.gz JFJAZIDGCBOVJB-JTQLQIEISA-N 0 2 296.323 1.827 10 5 CDBELN O=C(N[C@@H]1C[C@H]1C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355647447 157164786 /nfs/dbraw/zinc/16/47/86/157164786.db2.gz VYXINLQWRMGGOP-GXSJLCMTSA-N 0 2 262.265 1.829 10 5 CDBELN CC(C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCOC1 ZINC000292708402 279314283 /nfs/dbraw/zinc/31/42/83/279314283.db2.gz FBAOBYOIOMLIAX-LLVKDONJSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000236560263 280128583 /nfs/dbraw/zinc/12/85/83/280128583.db2.gz GMELNFALOLJJJX-UHFFFAOYSA-N 0 2 250.254 1.927 10 5 CDBELN C[C@]1(F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354481735 300815774 /nfs/dbraw/zinc/81/57/74/300815774.db2.gz AHTHAFDAFRIWFX-LBPRGKRZSA-N 0 2 268.244 1.875 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000235506267 525199960 /nfs/dbraw/zinc/19/99/60/525199960.db2.gz NMOVTZTWWPISDM-VIFPVBQESA-N 0 2 294.307 1.845 10 5 CDBELN O=C(Nc1cc(Cl)[nH]n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000765029065 575976831 /nfs/dbraw/zinc/97/68/31/575976831.db2.gz NTQYUJQMZHHREJ-UHFFFAOYSA-N 0 2 282.643 1.929 10 5 CDBELN Cc1cc(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1O ZINC000913526778 630533515 /nfs/dbraw/zinc/53/35/15/630533515.db2.gz QNEIZUPICSYLDL-NXEZZACHSA-N 0 2 250.254 1.329 10 5 CDBELN CC1(C)C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC001642802901 1167198991 /nfs/dbraw/zinc/19/89/91/1167198991.db2.gz HXPZZRGABLCJGZ-SNVBAGLBSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(/C=C/[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000819431043 747324722 /nfs/dbraw/zinc/32/47/22/747324722.db2.gz OKZRGEQIURRWCM-RWCYGVJQSA-N 0 2 278.264 1.974 10 5 CDBELN C[C@H]1C(=O)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001636558700 1166683173 /nfs/dbraw/zinc/68/31/73/1166683173.db2.gz VVNHWDDITUBLOL-QMMMGPOBSA-N 0 2 278.264 1.494 10 5 CDBELN CCC/C=C/[C@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013071 936454632 /nfs/dbraw/zinc/45/46/32/936454632.db2.gz DHXMEWMKDFNRKE-ITKZLYELSA-N 0 2 280.280 1.956 10 5 CDBELN CC(C)c1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]1 ZINC001338244655 961708996 /nfs/dbraw/zinc/70/89/96/961708996.db2.gz ZAHINZOFDJRXLW-UHFFFAOYSA-N 0 2 291.267 1.794 10 5 CDBELN CC(C)c1n[nH]c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001338244655 961709017 /nfs/dbraw/zinc/70/90/17/961709017.db2.gz ZAHINZOFDJRXLW-UHFFFAOYSA-N 0 2 291.267 1.794 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600440223 342208974 /nfs/dbraw/zinc/20/89/74/342208974.db2.gz JOVPNWYGJATZQI-JXVAYASWSA-N 0 2 294.307 1.842 10 5 CDBELN C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000235724273 362039555 /nfs/dbraw/zinc/03/95/55/362039555.db2.gz QPQIDUWKBMSJBD-DTWKUNHWSA-N 0 2 280.280 1.598 10 5 CDBELN CO[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000597490996 343556829 /nfs/dbraw/zinc/55/68/29/343556829.db2.gz CFEMKDSDSIGZBH-QPUJVOFHSA-N 0 2 296.279 1.290 10 5 CDBELN O=C(NC[C@@H](CO)CC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598293929 343757599 /nfs/dbraw/zinc/75/75/99/343757599.db2.gz WBJVZIKUXFWGLL-JTQLQIEISA-N 0 2 294.307 1.439 10 5 CDBELN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000598298578 343758345 /nfs/dbraw/zinc/75/83/45/343758345.db2.gz IDURZSJCIIWXEF-ZJUUUORDSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(N[C@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000603920472 344845735 /nfs/dbraw/zinc/84/57/35/344845735.db2.gz ILMLEENIHYVKOE-VHSXEESVSA-N 0 2 280.280 1.334 10 5 CDBELN C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000560599206 357001945 /nfs/dbraw/zinc/00/19/45/357001945.db2.gz MKZUHIVNNRSCPI-VHSXEESVSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(NC[C@@H]1CCC[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000436670704 359073556 /nfs/dbraw/zinc/07/35/56/359073556.db2.gz SHPWHXIKRVAOSH-GZMMTYOYSA-N 0 2 280.280 1.191 10 5 CDBELN CO[C@H](C)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355032902 375769101 /nfs/dbraw/zinc/76/91/01/375769101.db2.gz PUOLSVBAUGZVQH-HTQZYQBOSA-N 0 2 268.269 1.454 10 5 CDBELN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC000291801525 533297126 /nfs/dbraw/zinc/29/71/26/533297126.db2.gz QORXGHRBZGUTMB-RXMQYKEDSA-N 0 2 278.186 1.981 10 5 CDBELN CC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCC1 ZINC000281167974 393154348 /nfs/dbraw/zinc/15/43/48/393154348.db2.gz IPIANOJEWBHIHD-UHFFFAOYSA-N 0 2 250.254 1.973 10 5 CDBELN Cn1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000231767242 140219226 /nfs/dbraw/zinc/21/92/26/140219226.db2.gz LRNHPAYUCDOFOS-UHFFFAOYSA-N 0 2 275.264 1.569 10 5 CDBELN CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354067102 156252084 /nfs/dbraw/zinc/25/20/84/156252084.db2.gz YSFQMGICIVKLFP-ZJUUUORDSA-N 0 2 296.323 1.827 10 5 CDBELN CN(Cc1ccnn1C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355439810 157055271 /nfs/dbraw/zinc/05/52/71/157055271.db2.gz CWKTUVYDMXBRQQ-UHFFFAOYSA-N 0 2 290.279 1.306 10 5 CDBELN Cc1n[nH]c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355897855 157277804 /nfs/dbraw/zinc/27/78/04/157277804.db2.gz OGFYSFMRRJBLCD-UHFFFAOYSA-N 0 2 290.279 1.822 10 5 CDBELN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])cnc2C)[nH]nc1C ZINC000359496521 158265576 /nfs/dbraw/zinc/26/55/76/158265576.db2.gz APIPUMFQVMXIOY-UHFFFAOYSA-N 0 2 287.279 1.379 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1=O ZINC000330606632 300188144 /nfs/dbraw/zinc/18/81/44/300188144.db2.gz OCQDUNNJVIGRPN-QMMMGPOBSA-N 0 2 278.264 1.352 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccnc1 ZINC000183898778 323349772 /nfs/dbraw/zinc/34/97/72/323349772.db2.gz PRIDRCDSSYFJFL-UHFFFAOYSA-N 0 2 259.221 1.948 10 5 CDBELN CCc1cnc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])o1 ZINC000231655810 536048404 /nfs/dbraw/zinc/04/84/04/536048404.db2.gz SFLFVTVHBPUVFK-UHFFFAOYSA-N 0 2 291.263 1.781 10 5 CDBELN O=C(Nc1c[nH]nc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000774229657 575190346 /nfs/dbraw/zinc/19/03/46/575190346.db2.gz PJLNZQDTRWGETO-UHFFFAOYSA-N 0 2 282.643 1.929 10 5 CDBELN CC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001644204020 1167299889 /nfs/dbraw/zinc/29/98/89/1167299889.db2.gz ISKDKZFXYBSJJP-UHFFFAOYSA-N 0 2 292.291 1.742 10 5 CDBELN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2c1c(F)ccc2F ZINC000839778091 751266512 /nfs/dbraw/zinc/26/65/12/751266512.db2.gz MWQYODBCSJIOKX-GMSGAONNSA-N 0 2 268.219 1.519 10 5 CDBELN Cc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]c1C(C)C ZINC000844147226 752887845 /nfs/dbraw/zinc/88/78/45/752887845.db2.gz APLYXYIYXQZEBT-HTQZYQBOSA-N 0 2 252.274 1.445 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)C1 ZINC001595526671 1174206951 /nfs/dbraw/zinc/20/69/51/1174206951.db2.gz IMVHQZANHLGENK-UHFFFAOYSA-N 0 2 262.265 1.927 10 5 CDBELN O=C(N[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000181987360 303959558 /nfs/dbraw/zinc/95/95/58/303959558.db2.gz CNVOMCAWJFXHTC-QMMMGPOBSA-N 0 2 266.253 1.209 10 5 CDBELN O=[N+]([O-])C[C@@](O)(c1cccc(F)c1F)C(F)F ZINC000143749164 342058581 /nfs/dbraw/zinc/05/85/81/342058581.db2.gz WMMHUAXILOZKCM-SECBINFHSA-N 0 2 253.151 1.694 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]2COC[C@H]2C1 ZINC000598392933 343784138 /nfs/dbraw/zinc/78/41/38/343784138.db2.gz IQXRZQVHCMRNPX-VHSXEESVSA-N 0 2 292.291 1.409 10 5 CDBELN CO[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598458164 343804411 /nfs/dbraw/zinc/80/44/11/343804411.db2.gz KBWLIHUKQKFSHR-SKDRFNHKSA-N 0 2 266.253 1.208 10 5 CDBELN CCC(F)(F)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000599434189 344045583 /nfs/dbraw/zinc/04/55/83/344045583.db2.gz TXQOTRZMMDHNIJ-UHFFFAOYSA-N 0 2 295.267 1.313 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)nn1 ZINC000614274057 348052743 /nfs/dbraw/zinc/05/27/43/348052743.db2.gz LACVNOGUTFXMJQ-UHFFFAOYSA-N 0 2 288.263 1.960 10 5 CDBELN C[C@H]1CC[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1 ZINC000166120030 359668805 /nfs/dbraw/zinc/66/88/05/359668805.db2.gz RWELWGAODUYAOO-CPCISQLKSA-N 0 2 266.253 1.806 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408412383 359746019 /nfs/dbraw/zinc/74/60/19/359746019.db2.gz APWBHNONFQKNOH-XXILOJSOSA-N 0 2 292.291 1.143 10 5 CDBELN O=C(N[C@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000298382481 373516065 /nfs/dbraw/zinc/51/60/65/373516065.db2.gz PTAQZTPMUDNLDQ-ONGXEEELSA-N 0 2 294.307 1.581 10 5 CDBELN COC(=O)Cc1cc(Br)cc([N+](=O)[O-])c1O ZINC000575713045 373975141 /nfs/dbraw/zinc/97/51/41/373975141.db2.gz STDMMPVNHDADFE-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@]2(CCOC2)C1 ZINC000373925032 374475602 /nfs/dbraw/zinc/47/56/02/374475602.db2.gz XDTWIDDDUTUCJP-CQSZACIVSA-N 0 2 292.291 1.553 10 5 CDBELN COC(=O)CCCN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280674990 375012916 /nfs/dbraw/zinc/01/29/16/375012916.db2.gz BXOYZHLMZSHSII-UHFFFAOYSA-N 0 2 296.279 1.326 10 5 CDBELN COC[C@H]1CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293970104 375544866 /nfs/dbraw/zinc/54/48/66/375544866.db2.gz RWTWLIPVZQTEJP-MRVPVSSYSA-N 0 2 266.253 1.161 10 5 CDBELN CC(C)(C)OC(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353063396 375571537 /nfs/dbraw/zinc/57/15/37/375571537.db2.gz LZABAZMZRKBYNL-UHFFFAOYSA-N 0 2 296.279 1.372 10 5 CDBELN O=C(NN1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000283557072 390565924 /nfs/dbraw/zinc/56/59/24/390565924.db2.gz VJWUYAVYRDWEPM-UHFFFAOYSA-N 0 2 265.269 1.431 10 5 CDBELN CCO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000457874276 391653236 /nfs/dbraw/zinc/65/32/36/391653236.db2.gz JELNOFIJNGBQGO-DTORHVGOSA-N 0 2 280.280 1.598 10 5 CDBELN O=C(NC[C@@H]1CCCS1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315998 140162647 /nfs/dbraw/zinc/16/26/47/140162647.db2.gz BHIGIKSIIAYWLT-VIFPVBQESA-N 0 2 282.321 1.926 10 5 CDBELN O=C(NCCCn1cc[nH+]c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236560834 140240452 /nfs/dbraw/zinc/24/04/52/140240452.db2.gz YPVHIDRTAUHXQF-UHFFFAOYSA-N 0 2 290.279 1.317 10 5 CDBELN CO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000286106376 397757937 /nfs/dbraw/zinc/75/79/37/397757937.db2.gz UYLGLJUCQNUVSR-AOOOYVTPSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(F)(F)C1 ZINC000313317475 397936460 /nfs/dbraw/zinc/93/64/60/397936460.db2.gz MDVRPAWNKASZOG-UHFFFAOYSA-N 0 2 272.207 1.782 10 5 CDBELN CCOc1ncnc(Nc2ccccn2)c1[N+](=O)[O-] ZINC000040646857 174364883 /nfs/dbraw/zinc/36/48/83/174364883.db2.gz ROIXVSZTQXTQPU-UHFFFAOYSA-N 0 2 261.241 1.922 10 5 CDBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC(C)(C)O1 ZINC000408110301 300197859 /nfs/dbraw/zinc/19/78/59/300197859.db2.gz NQPOKYPNQULDJU-VIFPVBQESA-N 0 2 294.307 1.940 10 5 CDBELN CC1(C)CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)O1 ZINC000187342005 520405130 /nfs/dbraw/zinc/40/51/30/520405130.db2.gz PFTFNCNWHJAQHT-SNVBAGLBSA-N 0 2 294.307 1.988 10 5 CDBELN CCO/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001633355034 1166417929 /nfs/dbraw/zinc/41/79/29/1166417929.db2.gz DIHSLAACEFUWBL-WAYWQWQTSA-N 0 2 252.226 1.789 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1cnn(C)c1 ZINC001570858656 1170304722 /nfs/dbraw/zinc/30/47/22/1170304722.db2.gz CKPCJNDZKPSMSK-UHFFFAOYSA-N 0 2 290.279 1.701 10 5 CDBELN CC(C)Cc1coc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001288966835 953965612 /nfs/dbraw/zinc/96/56/12/953965612.db2.gz DPQSLCFFCLLECC-RKDXNWHRSA-N 0 2 253.258 1.477 10 5 CDBELN CCOc1cc(NCC(=O)NOC)ccc1[N+](=O)[O-] ZINC001472892067 968977580 /nfs/dbraw/zinc/97/75/80/968977580.db2.gz OPRGYQJOCCKMGP-UHFFFAOYSA-N 0 2 269.257 1.083 10 5 CDBELN Cn1nccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000236092812 362970352 /nfs/dbraw/zinc/97/03/52/362970352.db2.gz JWDJWGGRQXFKIG-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN O=C(NCCc1ccncc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561159 140239850 /nfs/dbraw/zinc/23/98/50/140239850.db2.gz DCSBOZVCBNXGHM-UHFFFAOYSA-N 0 2 287.275 1.668 10 5 CDBELN C[C@H]1CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436709482 359270750 /nfs/dbraw/zinc/27/07/50/359270750.db2.gz NQCWOXFKBBGGAG-OIBJUYFYSA-N 0 2 250.254 1.829 10 5 CDBELN CC(C)[C@](C)(CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436805409 361458689 /nfs/dbraw/zinc/45/86/89/361458689.db2.gz CVSXBQAJYXOKDR-ZDUSSCGKSA-N 0 2 282.296 1.437 10 5 CDBELN O=C(NC[C@H](O)C1CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000456883102 364797812 /nfs/dbraw/zinc/79/78/12/364797812.db2.gz OSKUIOAXCDAHHI-NSHDSACASA-N 0 2 280.280 1.191 10 5 CDBELN COC(=O)CCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351260424 376315634 /nfs/dbraw/zinc/31/56/34/376315634.db2.gz KSYYYAKDIYQVLG-UHFFFAOYSA-N 0 2 296.279 1.374 10 5 CDBELN O=c1[nH]nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000446072519 250263844 /nfs/dbraw/zinc/26/38/44/250263844.db2.gz PXDWECIWUMOFKG-UHFFFAOYSA-N 0 2 292.280 1.587 10 5 CDBELN O=c1[nH]nc([C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)[nH]1 ZINC000450509757 251319066 /nfs/dbraw/zinc/31/90/66/251319066.db2.gz LJOGOPSMDIKWTB-QMMMGPOBSA-N 0 2 290.283 1.198 10 5 CDBELN CN(C[C@H]1CCOC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280978666 195055171 /nfs/dbraw/zinc/05/51/71/195055171.db2.gz LCOWZZPMTWZFKS-SECBINFHSA-N 0 2 280.280 1.409 10 5 CDBELN C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CS1 ZINC000397974545 391637977 /nfs/dbraw/zinc/63/79/77/391637977.db2.gz OFOGXYSPWIMIBK-SFYZADRCSA-N 0 2 282.321 1.924 10 5 CDBELN O=C(NC[C@H]1CCCC[C@@H]1O)c1cccc(O)c1[N+](=O)[O-] ZINC000334011102 149299188 /nfs/dbraw/zinc/29/91/88/149299188.db2.gz AWTAAGWVYWZLEC-KOLCDFICSA-N 0 2 294.307 1.581 10 5 CDBELN CCC(CC)(CO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354285000 156366342 /nfs/dbraw/zinc/36/63/42/156366342.db2.gz ZVVVFNVYJLHZEA-UHFFFAOYSA-N 0 2 296.323 1.829 10 5 CDBELN C[C@H]1CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000310678421 300075682 /nfs/dbraw/zinc/07/56/82/300075682.db2.gz KAZPNTFPAMBRMT-IONNQARKSA-N 0 2 250.254 1.829 10 5 CDBELN CN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1c(F)cccc1F ZINC000044979892 175283019 /nfs/dbraw/zinc/28/30/19/175283019.db2.gz CKBQWMILLAEJCQ-IMTBSYHQSA-N 0 2 256.208 1.593 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000235326274 296914688 /nfs/dbraw/zinc/91/46/88/296914688.db2.gz AMBQTHQMSOIDCJ-MRVPVSSYSA-N 0 2 266.253 1.161 10 5 CDBELN C[C@@H]1CC[C@H](O)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000399210482 280720181 /nfs/dbraw/zinc/72/01/81/280720181.db2.gz FXQACPBNTNPXSL-SCZZXKLOSA-N 0 2 280.280 1.286 10 5 CDBELN CC1(C)SC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436717677 281433372 /nfs/dbraw/zinc/43/33/72/281433372.db2.gz UQPJXHPWYBAUPH-SNVBAGLBSA-N 0 2 282.321 1.924 10 5 CDBELN CCC[C@@H](C)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000579723308 324266184 /nfs/dbraw/zinc/26/61/84/324266184.db2.gz BNUSWXPYEDQLCN-KOLCDFICSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(Nc1c2c(ccc1F)OCO2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000876315556 758864541 /nfs/dbraw/zinc/86/45/41/758864541.db2.gz OQIGKMVDHPCGRC-IYSWYEEDSA-N 0 2 268.200 1.158 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](CF)C1 ZINC000711468431 769802700 /nfs/dbraw/zinc/80/27/00/769802700.db2.gz DLMMYWAOWZTADR-MRVPVSSYSA-N 0 2 268.244 1.732 10 5 CDBELN CC1(c2nsc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)CC1 ZINC000862611186 770009747 /nfs/dbraw/zinc/00/97/47/770009747.db2.gz MCMSVXPUZPQKLC-PHDIDXHHSA-N 0 2 268.298 1.193 10 5 CDBELN COc1ccc([S@@](C)(=O)=NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000925973454 772658531 /nfs/dbraw/zinc/65/85/31/772658531.db2.gz PWKHEJCYVAXNTE-SUTOTMHJSA-N 0 2 298.320 1.344 10 5 CDBELN COc1ccc([S@@](C)(=O)=NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000925973454 772658543 /nfs/dbraw/zinc/65/85/43/772658543.db2.gz PWKHEJCYVAXNTE-SUTOTMHJSA-N 0 2 298.320 1.344 10 5 CDBELN O=C(NCc1ccns1)c1ccc([N+](=O)[O-])cc1O ZINC001167017361 939671817 /nfs/dbraw/zinc/67/18/17/939671817.db2.gz UMEDYPISKWJIJH-UHFFFAOYSA-N 0 2 279.277 1.687 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2ncccc2C1 ZINC000590407334 342544130 /nfs/dbraw/zinc/54/41/30/342544130.db2.gz PJUIFUBBKZFWSV-UHFFFAOYSA-N 0 2 299.286 1.894 10 5 CDBELN CCOc1nc2cc([N+](=O)[O-])cc(C(=O)OC)c2[nH]1 ZINC000218695865 342227806 /nfs/dbraw/zinc/22/78/06/342227806.db2.gz YKTWSUQHSIFWBL-UHFFFAOYSA-N 0 2 265.225 1.656 10 5 CDBELN C[C@@H]1C[C@H](CO)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600772065 342248827 /nfs/dbraw/zinc/24/88/27/342248827.db2.gz QGVKPYAHXGVDLS-NXEZZACHSA-N 0 2 294.307 1.533 10 5 CDBELN O=c1[nH]ccc(N2CCCc3[nH]ncc3C2)c1[N+](=O)[O-] ZINC000596000866 343206595 /nfs/dbraw/zinc/20/65/95/343206595.db2.gz IGKUXLNDQBCSBU-UHFFFAOYSA-N 0 2 275.268 1.371 10 5 CDBELN O=c1cc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)nc2nc[nH]n21 ZINC000436929667 362135555 /nfs/dbraw/zinc/13/55/55/362135555.db2.gz CWPDYUAGUZRXFS-HNQUOIGGSA-N 0 2 299.246 1.202 10 5 CDBELN COC[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)OC ZINC000597893172 343660181 /nfs/dbraw/zinc/66/01/81/343660181.db2.gz CVTVUBSRYBEAMW-SNVBAGLBSA-N 0 2 298.295 1.082 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)C1=O ZINC000598113912 343716486 /nfs/dbraw/zinc/71/64/86/343716486.db2.gz QUYDWMQJTLKCEH-RKDXNWHRSA-N 0 2 292.291 1.598 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](F)C1 ZINC000515491425 362319962 /nfs/dbraw/zinc/31/99/62/362319962.db2.gz AVLFQZHXXFHESA-QMMMGPOBSA-N 0 2 268.244 1.875 10 5 CDBELN O=C(NC[C@H]1CCC[C@@H]1O)c1cccc(O)c1[N+](=O)[O-] ZINC000457332538 366147380 /nfs/dbraw/zinc/14/73/80/366147380.db2.gz SMJRMJLRJOFSCI-SCZZXKLOSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(N[C@H]1CCC[C@H]1CCO)c1cc(O)ccc1[N+](=O)[O-] ZINC000354810165 360173860 /nfs/dbraw/zinc/17/38/60/360173860.db2.gz BOOBFXRLHBYBCD-CABZTGNLSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000166180961 364893921 /nfs/dbraw/zinc/89/39/21/364893921.db2.gz IFYKNSYUANHHNT-JTQLQIEISA-N 0 2 252.226 1.418 10 5 CDBELN COCC[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000412479574 240234752 /nfs/dbraw/zinc/23/47/52/240234752.db2.gz CPZNUTYHLIAHGS-VIFPVBQESA-N 0 2 282.296 1.703 10 5 CDBELN O=C(NCc1cscn1)c1ccc([N+](=O)[O-])cc1O ZINC000182136406 365073227 /nfs/dbraw/zinc/07/32/27/365073227.db2.gz NKQRYUCBVMXFOT-UHFFFAOYSA-N 0 2 279.277 1.687 10 5 CDBELN C[C@H]1C[C@H](CO)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000421972877 374343688 /nfs/dbraw/zinc/34/36/88/374343688.db2.gz STEHAIBULMFJED-UWVGGRQHSA-N 0 2 294.307 1.391 10 5 CDBELN Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(-c2ccccn2)n1 ZINC000378145995 374634119 /nfs/dbraw/zinc/63/41/19/374634119.db2.gz WQICBJJVQSKVEI-LDYMZIIASA-N 0 2 287.279 1.086 10 5 CDBELN CCN(CC(C)(C)O)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280708871 375016894 /nfs/dbraw/zinc/01/68/94/375016894.db2.gz BESLLPSSCIVZBY-UHFFFAOYSA-N 0 2 282.296 1.533 10 5 CDBELN Cc1noc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000352102055 375353928 /nfs/dbraw/zinc/35/39/28/375353928.db2.gz HSAUUUXKVUMXAE-LURJTMIESA-N 0 2 292.251 1.483 10 5 CDBELN O=C(NC[C@H]1CCCCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000280937649 195036737 /nfs/dbraw/zinc/03/67/37/195036737.db2.gz KZBLIDMIUGURIK-SECBINFHSA-N 0 2 280.280 1.599 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000217316732 390964670 /nfs/dbraw/zinc/96/46/70/390964670.db2.gz YEOWJMHRCWRXEV-PELKAZGASA-N 0 2 280.280 1.143 10 5 CDBELN O=c1[nH]nc(Sc2c(F)cc([N+](=O)[O-])cc2F)[nH]1 ZINC000192751956 304800399 /nfs/dbraw/zinc/80/03/99/304800399.db2.gz UAWFJCZZDYYUBS-UHFFFAOYSA-N 0 2 274.208 1.848 10 5 CDBELN C[C@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000353711049 156031879 /nfs/dbraw/zinc/03/18/79/156031879.db2.gz LZMUEMNZCPLWRW-ZDUSSCGKSA-N 0 2 280.280 1.191 10 5 CDBELN C[C@@H]1CC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343960420 296748280 /nfs/dbraw/zinc/74/82/80/296748280.db2.gz OHLSYAUVLCKLPQ-VXNVDRBHSA-N 0 2 250.254 1.829 10 5 CDBELN O=c1[nH]nc(SCc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000361997572 159035142 /nfs/dbraw/zinc/03/51/42/159035142.db2.gz YKTDGXDYEQFGSG-UHFFFAOYSA-N 0 2 270.245 1.850 10 5 CDBELN CC1(C)[C@@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000312649674 281447476 /nfs/dbraw/zinc/44/74/76/281447476.db2.gz FGZMRUHENZBCEZ-NSHDSACASA-N 0 2 280.280 1.286 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000235675277 300188360 /nfs/dbraw/zinc/18/83/60/300188360.db2.gz AMBQTHQMSOIDCJ-QMMMGPOBSA-N 0 2 266.253 1.161 10 5 CDBELN O=C(Nc1nc2c(s1)CCCC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001628056175 1166034173 /nfs/dbraw/zinc/03/41/73/1166034173.db2.gz ZHEIAHHSLISTBA-PHDIDXHHSA-N 0 2 281.293 1.266 10 5 CDBELN COC[C@@H]1CCCN1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000862593078 778591278 /nfs/dbraw/zinc/59/12/78/778591278.db2.gz ZECCTSVYUQATEJ-VIFPVBQESA-N 0 2 295.295 1.056 10 5 CDBELN Cn1nccc1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316856 929904626 /nfs/dbraw/zinc/90/46/26/929904626.db2.gz MTNRVNOHBXBWCJ-UHFFFAOYSA-N 0 2 290.279 1.006 10 5 CDBELN CCn1cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1 ZINC001295972637 954777021 /nfs/dbraw/zinc/77/70/21/954777021.db2.gz PGFIZKDGCBCOIR-UHFFFAOYSA-N 0 2 291.267 1.093 10 5 CDBELN CC[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)OC ZINC000592858888 342738955 /nfs/dbraw/zinc/73/89/55/342738955.db2.gz JKGIWFAKQJFLCZ-QMMMGPOBSA-N 0 2 296.279 1.229 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@H](CCF)C1 ZINC000600498513 342228474 /nfs/dbraw/zinc/22/84/74/342228474.db2.gz XCGUURASRBYPHC-SECBINFHSA-N 0 2 298.270 1.501 10 5 CDBELN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600520858 342229816 /nfs/dbraw/zinc/22/98/16/342229816.db2.gz SKEUUCGJPADRRH-GXFFZTMASA-N 0 2 292.291 1.598 10 5 CDBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1(CO)CC1 ZINC000598036816 343701854 /nfs/dbraw/zinc/70/18/54/343701854.db2.gz OMVZPJDWSBPXSQ-QMMMGPOBSA-N 0 2 280.280 1.191 10 5 CDBELN CC1(C)OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000598455570 343803643 /nfs/dbraw/zinc/80/36/43/343803643.db2.gz UALYDTUAIWMVOI-VIFPVBQESA-N 0 2 294.307 1.845 10 5 CDBELN CC1(C)OCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598457396 343803977 /nfs/dbraw/zinc/80/39/77/343803977.db2.gz OGPUXVQKWQSPNU-VIFPVBQESA-N 0 2 294.307 1.845 10 5 CDBELN O=C(NCC[C@@H]1CCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560966 363245957 /nfs/dbraw/zinc/24/59/57/363245957.db2.gz KNHHTRZKFQPPHH-JTQLQIEISA-N 0 2 280.280 1.599 10 5 CDBELN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H](C)CO ZINC000182122573 357409457 /nfs/dbraw/zinc/40/94/57/357409457.db2.gz JFCLJWUDJFMFEU-HTQZYQBOSA-N 0 2 268.269 1.047 10 5 CDBELN O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000047298428 412768921 /nfs/dbraw/zinc/76/89/21/412768921.db2.gz JTCYRMUNVAIOFA-CAHLUQPWSA-N 0 2 253.283 1.236 10 5 CDBELN Cc1ocnc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354519442 375720297 /nfs/dbraw/zinc/72/02/97/375720297.db2.gz ARBFXRRVBOGADM-UHFFFAOYSA-N 0 2 277.236 1.527 10 5 CDBELN CC(C)[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354449583 377883372 /nfs/dbraw/zinc/88/33/72/377883372.db2.gz AGOOUVLSAYCRQX-SNVBAGLBSA-N 0 2 268.269 1.047 10 5 CDBELN C[C@H]1C[C@H](O)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000401857877 390566966 /nfs/dbraw/zinc/56/69/66/390566966.db2.gz OVGZMHVAPMUBBR-WPRPVWTQSA-N 0 2 280.280 1.143 10 5 CDBELN CN(C[C@H]1CCCCO1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234302758 140229815 /nfs/dbraw/zinc/22/98/15/140229815.db2.gz OFCDZXDYBCAKDO-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN C[C@@H]1COC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179513376 297150952 /nfs/dbraw/zinc/15/09/52/297150952.db2.gz ZLCGRTYAVYKIMQ-DTORHVGOSA-N 0 2 280.280 1.550 10 5 CDBELN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1O ZINC000038600228 174149289 /nfs/dbraw/zinc/14/92/89/174149289.db2.gz AMXFCEIJLIYFMA-UWVGGRQHSA-N 0 2 290.275 1.980 10 5 CDBELN O=c1[nH]nc(Sc2nc3sccn3c2[N+](=O)[O-])[nH]1 ZINC000192751829 227281321 /nfs/dbraw/zinc/28/13/21/227281321.db2.gz WFAQBENBBUCZRX-UHFFFAOYSA-N 0 2 284.282 1.279 10 5 CDBELN CO[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456154543 293713464 /nfs/dbraw/zinc/71/34/64/293713464.db2.gz CWABHGYTAOCGST-MWLCHTKSSA-N 0 2 280.280 1.598 10 5 CDBELN COC[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316923 536751690 /nfs/dbraw/zinc/75/16/90/536751690.db2.gz QIXVRBGSJUEDLH-SNVBAGLBSA-N 0 2 294.307 1.799 10 5 CDBELN Cc1c[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC001642610918 1167185801 /nfs/dbraw/zinc/18/58/01/1167185801.db2.gz ZURKCGMNIGGDMM-UHFFFAOYSA-N 0 2 276.252 1.262 10 5 CDBELN Cc1nn2c(c1Cl)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC2 ZINC001355033276 969013465 /nfs/dbraw/zinc/01/34/65/969013465.db2.gz BLCBAHVIKJAGRQ-HTQZYQBOSA-N 0 2 284.703 1.247 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2c[nH]nc2C1 ZINC000590390063 342541847 /nfs/dbraw/zinc/54/18/47/342541847.db2.gz IQTUVSRXBOWDRU-UHFFFAOYSA-N 0 2 274.236 1.180 10 5 CDBELN CC(C)CC[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600307513 342057031 /nfs/dbraw/zinc/05/70/31/342057031.db2.gz VQUJBCQAZPGIML-SNVBAGLBSA-N 0 2 296.323 1.827 10 5 CDBELN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OC ZINC000592871301 342742131 /nfs/dbraw/zinc/74/21/31/342742131.db2.gz QCCYIOFBKNDTBZ-QMMMGPOBSA-N 0 2 296.279 1.229 10 5 CDBELN O=C(NCC1(CCO)CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000436973929 362240808 /nfs/dbraw/zinc/24/08/08/362240808.db2.gz VIGBMPVCKPMQRS-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN CC1(C)OCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598457394 343803892 /nfs/dbraw/zinc/80/38/92/343803892.db2.gz OGPUXVQKWQSPNU-SECBINFHSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@@H]1CC[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])O1 ZINC000457372907 366165024 /nfs/dbraw/zinc/16/50/24/366165024.db2.gz QRVPPSFVLHEYQD-RKDXNWHRSA-N 0 2 280.280 1.598 10 5 CDBELN O=C(NC[C@H](CO)C1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436809622 361468275 /nfs/dbraw/zinc/46/82/75/361468275.db2.gz UPMOZQWXTCWIKE-SECBINFHSA-N 0 2 280.280 1.049 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC12CCOCC2 ZINC000370068649 374377551 /nfs/dbraw/zinc/37/75/51/374377551.db2.gz AEUBNACGXDNLCY-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN COCCOCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275167724 374691544 /nfs/dbraw/zinc/69/15/44/374691544.db2.gz WBNUTLATBVLKPQ-UHFFFAOYSA-N 0 2 284.268 1.292 10 5 CDBELN C[C@]1(O)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000230355811 375567169 /nfs/dbraw/zinc/56/71/69/375567169.db2.gz IHSFFQUSVBTOBM-AWEZNQCLSA-N 0 2 294.307 1.678 10 5 CDBELN CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000452964009 252226621 /nfs/dbraw/zinc/22/66/21/252226621.db2.gz USWZAYUPRATPLG-JOYOIKCWSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CS1 ZINC000397974546 391637649 /nfs/dbraw/zinc/63/76/49/391637649.db2.gz OFOGXYSPWIMIBK-YUMQZZPRSA-N 0 2 282.321 1.924 10 5 CDBELN C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000422006242 392950808 /nfs/dbraw/zinc/95/08/08/392950808.db2.gz AYDJIQBFAGSRBL-PSASIEDQSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(Nc1ccncc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236563502 140241659 /nfs/dbraw/zinc/24/16/59/140241659.db2.gz WQLWTIONOXGHFQ-UHFFFAOYSA-N 0 2 259.221 1.948 10 5 CDBELN CC(C)Cn1ccnc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000058421739 411685590 /nfs/dbraw/zinc/68/55/90/411685590.db2.gz UUHXUTZNZIYIDA-DTWKUNHWSA-N 0 2 252.274 1.143 10 5 CDBELN C[C@@H]1COCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000192826025 227297105 /nfs/dbraw/zinc/29/71/05/227297105.db2.gz DSLWATAOYSLJOK-SCZZXKLOSA-N 0 2 280.280 1.912 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](C2CC2)CC1 ZINC000181934174 304504191 /nfs/dbraw/zinc/50/41/91/304504191.db2.gz WPXSDFGDDFFFQH-UHFFFAOYSA-N 0 2 291.307 1.221 10 5 CDBELN C[C@@H]1C[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000526933806 270647592 /nfs/dbraw/zinc/64/75/92/270647592.db2.gz HJMJIUIPKKBNMW-HTQZYQBOSA-N 0 2 250.254 1.923 10 5 CDBELN CO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@H]1C ZINC000187971630 293825678 /nfs/dbraw/zinc/82/56/78/293825678.db2.gz IJMMAVPRXYRIOW-NOZJJQNGSA-N 0 2 294.307 1.797 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOCC2(CC2)C1 ZINC000408176185 304530383 /nfs/dbraw/zinc/53/03/83/304530383.db2.gz CTKKOEFJBMUPMU-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN C[C@H]1COC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179513384 300361150 /nfs/dbraw/zinc/36/11/50/300361150.db2.gz ZLCGRTYAVYKIMQ-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN COCCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234615471 536771326 /nfs/dbraw/zinc/77/13/26/536771326.db2.gz CLUBWKCHBBRRHX-UHFFFAOYSA-N 0 2 254.242 1.019 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn2nccc2n1 ZINC001637881816 1166796200 /nfs/dbraw/zinc/79/62/00/1166796200.db2.gz ULDGBFOYNIQDBD-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN O=C(Nc1n[nH]cc1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001648464427 1169133094 /nfs/dbraw/zinc/13/30/94/1169133094.db2.gz SLEJCKZXBYZJIW-MWLCHTKSSA-N 0 2 272.264 1.680 10 5 CDBELN CONC(=O)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001164271430 939443273 /nfs/dbraw/zinc/44/32/73/939443273.db2.gz YFFGKTMCKWDJQJ-UHFFFAOYSA-N 0 2 276.252 1.233 10 5 CDBELN CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc1C ZINC001132151282 1163183962 /nfs/dbraw/zinc/18/39/62/1163183962.db2.gz ODFDNVLKQXKVSJ-RNFRBKRXSA-N 0 2 299.308 1.232 10 5 CDBELN O=C(NCC[C@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000600164244 341981941 /nfs/dbraw/zinc/98/19/41/341981941.db2.gz FICNHJNEXKRURO-SNVBAGLBSA-N 0 2 294.307 1.847 10 5 CDBELN CN(Cc1n[nH]c(=O)o1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595547818 343084743 /nfs/dbraw/zinc/08/47/43/343084743.db2.gz WZTJTTCWNWMIJJ-UHFFFAOYSA-N 0 2 280.240 1.021 10 5 CDBELN O=C(Cc1ccon1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547421 342417670 /nfs/dbraw/zinc/41/76/70/342417670.db2.gz VHUXZVYNSIWOCW-UHFFFAOYSA-N 0 2 263.209 1.470 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(C1)CCOCC2 ZINC000597486191 343544241 /nfs/dbraw/zinc/54/42/41/343544241.db2.gz ZOWPZXSJYMWSCB-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN CO[C@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598141760 343726661 /nfs/dbraw/zinc/72/66/61/343726661.db2.gz PSKUNFAMZNYZHE-SSDOTTSWSA-N 0 2 254.242 1.065 10 5 CDBELN CCC1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000457287503 366108680 /nfs/dbraw/zinc/10/86/80/366108680.db2.gz YRSIJCKQQPEYJO-UHFFFAOYSA-N 0 2 250.254 1.782 10 5 CDBELN Cn1cccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1=O ZINC000361659514 358409411 /nfs/dbraw/zinc/40/94/11/358409411.db2.gz IAOLUIPUHAKOOL-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000166079663 359002343 /nfs/dbraw/zinc/00/23/43/359002343.db2.gz VAWDHNZVXKUOFD-LLVKDONJSA-N 0 2 266.253 1.808 10 5 CDBELN Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)on1 ZINC000436672923 359076579 /nfs/dbraw/zinc/07/65/79/359076579.db2.gz DCZXNHRIGPGXSP-UHFFFAOYSA-N 0 2 291.263 1.569 10 5 CDBELN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](C)O ZINC000456229700 364038807 /nfs/dbraw/zinc/03/88/07/364038807.db2.gz LMPUJVQTSMPIEL-OIBJUYFYSA-N 0 2 268.269 1.190 10 5 CDBELN O=C(NCCC[C@@H]1CCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000456764708 364773990 /nfs/dbraw/zinc/77/39/90/364773990.db2.gz MLOFSOXHBWDZKO-SNVBAGLBSA-N 0 2 294.307 1.847 10 5 CDBELN Cc1cnn(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000182027312 365064458 /nfs/dbraw/zinc/06/44/58/365064458.db2.gz LUOLYFNMIDSCPQ-UHFFFAOYSA-N 0 2 290.279 1.235 10 5 CDBELN O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000368319293 373182527 /nfs/dbraw/zinc/18/25/27/373182527.db2.gz WIIGOMYDZSJFIY-UHFFFAOYSA-N 0 2 288.263 1.153 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC([C@H]2CCOC2)C1 ZINC000376096449 374539694 /nfs/dbraw/zinc/53/96/94/374539694.db2.gz WNVVEZNHDWQYPV-VIFPVBQESA-N 0 2 292.291 1.409 10 5 CDBELN CO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@H]1C ZINC000188042222 375378068 /nfs/dbraw/zinc/37/80/68/375378068.db2.gz LNQZSSOJLDHRRM-NOZJJQNGSA-N 0 2 294.307 1.797 10 5 CDBELN O=C(CSc1n[nH]c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000446049502 250257912 /nfs/dbraw/zinc/25/79/12/250257912.db2.gz ATWWSPBFEHDSSB-UHFFFAOYSA-N 0 2 280.265 1.394 10 5 CDBELN C[C@H]1CCOCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000371639937 300006459 /nfs/dbraw/zinc/00/64/59/300006459.db2.gz ZUUPQPSRGRTIGD-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN COC(OC)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000288774690 197162821 /nfs/dbraw/zinc/16/28/21/197162821.db2.gz DBZPQSFZNLGXNH-SSDOTTSWSA-N 0 2 284.268 1.038 10 5 CDBELN O=C(N[C@@H](CO)CC1CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000293684930 391115115 /nfs/dbraw/zinc/11/51/15/391115115.db2.gz HLDADGLAYVHWFM-SNVBAGLBSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](C2CC2)C1 ZINC000367538703 391207059 /nfs/dbraw/zinc/20/70/59/391207059.db2.gz RQULAGYHTALQEE-ZDUSSCGKSA-N 0 2 292.291 1.551 10 5 CDBELN C[C@H]1C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000526933809 392972263 /nfs/dbraw/zinc/97/22/63/392972263.db2.gz HJMJIUIPKKBNMW-YUMQZZPRSA-N 0 2 250.254 1.923 10 5 CDBELN CCOC[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233728334 140227245 /nfs/dbraw/zinc/22/72/45/140227245.db2.gz YDIBUSZPWJPAMQ-MRVPVSSYSA-N 0 2 268.269 1.455 10 5 CDBELN O=C(NCC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000236580123 140240969 /nfs/dbraw/zinc/24/09/69/140240969.db2.gz NSZWIHIFYATALO-UHFFFAOYSA-N 0 2 264.159 1.593 10 5 CDBELN COc1ccncc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346284796 153125953 /nfs/dbraw/zinc/12/59/53/153125953.db2.gz OYDNEVXTAVDTFV-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN COC(=O)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000577119138 317269894 /nfs/dbraw/zinc/26/98/94/317269894.db2.gz MYKGORKRRXHRRP-UHFFFAOYSA-N 0 2 294.263 1.126 10 5 CDBELN COC1([C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])CCC1 ZINC000413977224 536704915 /nfs/dbraw/zinc/70/49/15/536704915.db2.gz UFEBPXHADCNBON-SECBINFHSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(NCc1cccnc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000803281462 785826336 /nfs/dbraw/zinc/82/63/36/785826336.db2.gz AEMRIYZMPHDESA-UHFFFAOYSA-N 0 2 291.238 1.765 10 5 CDBELN O=C(Nc1ncc(C(F)(F)F)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841196935 788045535 /nfs/dbraw/zinc/04/55/35/788045535.db2.gz OARKXTMGNAFPFB-QWWZWVQMSA-N 0 2 281.215 1.766 10 5 CDBELN O=C(NN1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316258 929904320 /nfs/dbraw/zinc/90/43/20/929904320.db2.gz MHYBFRNHTHHZDB-UHFFFAOYSA-N 0 2 265.269 1.431 10 5 CDBELN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593288088 342784221 /nfs/dbraw/zinc/78/42/21/342784221.db2.gz FXTSAEKEYSUFBQ-VHSXEESVSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593288088 342784223 /nfs/dbraw/zinc/78/42/23/342784223.db2.gz FXTSAEKEYSUFBQ-VHSXEESVSA-N 0 2 294.307 1.986 10 5 CDBELN CC[C@@H]1COCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739940 342826789 /nfs/dbraw/zinc/82/67/89/342826789.db2.gz BYBLNWLMQLRPGT-GFCCVEGCSA-N 0 2 294.307 1.904 10 5 CDBELN CC[C@@H]1COCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739940 342826790 /nfs/dbraw/zinc/82/67/90/342826790.db2.gz BYBLNWLMQLRPGT-GFCCVEGCSA-N 0 2 294.307 1.904 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C)CO ZINC000126905344 187269900 /nfs/dbraw/zinc/26/99/00/187269900.db2.gz LCYFWMVNXHXKOQ-HTQZYQBOSA-N 0 2 268.269 1.047 10 5 CDBELN Cc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)co1 ZINC000617164701 344985742 /nfs/dbraw/zinc/98/57/42/344985742.db2.gz CVZJTQVBVVVZLW-UHFFFAOYSA-N 0 2 263.209 1.849 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457708553 304003272 /nfs/dbraw/zinc/00/32/72/304003272.db2.gz KFAPEIINCJMJKN-FXBDTBDDSA-N 0 2 290.275 1.854 10 5 CDBELN CC(C)[C@@H](O)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547081 358553000 /nfs/dbraw/zinc/55/30/00/358553000.db2.gz VHPJLEYESQGSPC-NSHDSACASA-N 0 2 268.269 1.646 10 5 CDBELN CCc1nnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]1 ZINC000354061113 359036572 /nfs/dbraw/zinc/03/65/72/359036572.db2.gz LEQAJDRGWXBTOR-UHFFFAOYSA-N 0 2 277.240 1.233 10 5 CDBELN CO[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000300637246 359957721 /nfs/dbraw/zinc/95/77/21/359957721.db2.gz LREJEHBESHHXGE-NEPJUHHUSA-N 0 2 294.307 1.844 10 5 CDBELN Nc1ccc([N+](=O)[O-])c(O)c1I ZINC000575727291 374132577 /nfs/dbraw/zinc/13/25/77/374132577.db2.gz CFOZDOISYUVECO-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN CN(Cc1ccc[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436974148 249487593 /nfs/dbraw/zinc/48/75/93/249487593.db2.gz WPELGRGLUCURHM-UHFFFAOYSA-N 0 2 275.264 1.901 10 5 CDBELN COC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOC1 ZINC000450385869 251258011 /nfs/dbraw/zinc/25/80/11/251258011.db2.gz DNUOTJMEQXJPPH-ZDUSSCGKSA-N 0 2 296.279 1.292 10 5 CDBELN O=c1[nH]nc(C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]1 ZINC000450493680 251310354 /nfs/dbraw/zinc/31/03/54/251310354.db2.gz FRHSUPFMYVNTSZ-UHFFFAOYSA-N 0 2 290.283 1.198 10 5 CDBELN CC(C)(C)[C@H](CCO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280867560 195008436 /nfs/dbraw/zinc/00/84/36/195008436.db2.gz BLOZTSJJKZCIAW-NSHDSACASA-N 0 2 296.323 1.827 10 5 CDBELN O=C(NC[C@H]1CCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280883991 195014786 /nfs/dbraw/zinc/01/47/86/195014786.db2.gz YZJGVTGAFVKLMD-MRVPVSSYSA-N 0 2 266.253 1.067 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC(C)(C)O1 ZINC000408110300 391407228 /nfs/dbraw/zinc/40/72/28/391407228.db2.gz NQPOKYPNQULDJU-SECBINFHSA-N 0 2 294.307 1.940 10 5 CDBELN CC1(C)[C@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000312649672 392917896 /nfs/dbraw/zinc/91/78/96/392917896.db2.gz FGZMRUHENZBCEZ-LLVKDONJSA-N 0 2 280.280 1.286 10 5 CDBELN CO[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316909 140163239 /nfs/dbraw/zinc/16/32/39/140163239.db2.gz NCRXKHMPCCESRY-VIFPVBQESA-N 0 2 266.253 1.161 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H]1CO ZINC000295245501 296541817 /nfs/dbraw/zinc/54/18/17/296541817.db2.gz PXABCQLVLAVXMN-SCZZXKLOSA-N 0 2 280.280 1.143 10 5 CDBELN COC1(C)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000292325971 292101003 /nfs/dbraw/zinc/10/10/03/292101003.db2.gz WBHBJBRTOYBOGN-UHFFFAOYSA-N 0 2 294.307 1.942 10 5 CDBELN COCC1(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000517938684 260321692 /nfs/dbraw/zinc/32/16/92/260321692.db2.gz AREXPEFWBMOCKF-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN O=c1[nH]nc(CNc2c3ccccc3ncc2[N+](=O)[O-])[nH]1 ZINC000392593831 280683368 /nfs/dbraw/zinc/68/33/68/280683368.db2.gz MXLPIDMCOGQHGI-UHFFFAOYSA-N 0 2 286.251 1.001 10 5 CDBELN Cc1nn(C)c(C)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155978466 289255458 /nfs/dbraw/zinc/25/54/58/289255458.db2.gz TUXRIVYCRLKAFV-UHFFFAOYSA-N 0 2 290.279 1.903 10 5 CDBELN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1O ZINC000436821509 303911627 /nfs/dbraw/zinc/91/16/27/303911627.db2.gz KZGRZLCOSIARKR-BZBKMWRSSA-N 0 2 262.265 1.829 10 5 CDBELN CC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000232799863 535150033 /nfs/dbraw/zinc/15/00/33/535150033.db2.gz LMMZHTUQZODTQO-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN O=C(Nc1nc2cc(Cl)ccc2[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001583891569 1172786496 /nfs/dbraw/zinc/78/64/96/1172786496.db2.gz YDVXQSQWMLZOEA-HZGVNTEJSA-N 0 2 280.671 1.820 10 5 CDBELN O=C(Nc1nc2ccc(Cl)cc2[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001583891569 1172786498 /nfs/dbraw/zinc/78/64/98/1172786498.db2.gz YDVXQSQWMLZOEA-HZGVNTEJSA-N 0 2 280.671 1.820 10 5 CDBELN O=C(NC1CC2(CSC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000717927533 793475680 /nfs/dbraw/zinc/47/56/80/793475680.db2.gz KRILWHSKFNWRLU-UHFFFAOYSA-N 0 2 294.332 1.926 10 5 CDBELN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000593753969 342833086 /nfs/dbraw/zinc/83/30/86/342833086.db2.gz CPMFIVOJBZKSQB-GIPNMCIBSA-N 0 2 294.307 1.830 10 5 CDBELN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000593753969 342833087 /nfs/dbraw/zinc/83/30/87/342833087.db2.gz CPMFIVOJBZKSQB-GIPNMCIBSA-N 0 2 294.307 1.830 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](CCF)C1 ZINC000600489049 342225702 /nfs/dbraw/zinc/22/57/02/342225702.db2.gz QVOIPSDNYAIHMD-JTQLQIEISA-N 0 2 298.270 1.501 10 5 CDBELN CO[C@H]1C[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000600796763 342249503 /nfs/dbraw/zinc/24/95/03/342249503.db2.gz ILDBRYHLUIBDPQ-WAAGHKOSSA-N 0 2 280.280 1.455 10 5 CDBELN Cc1cnc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000539431181 282457245 /nfs/dbraw/zinc/45/72/45/282457245.db2.gz XCFSILCSDOABKY-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN CCC(=O)N[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614274043 348053025 /nfs/dbraw/zinc/05/30/25/348053025.db2.gz CVDALVWWOJNRTN-SSDOTTSWSA-N 0 2 281.268 1.154 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000354725153 299244552 /nfs/dbraw/zinc/24/45/52/299244552.db2.gz SZKGQILERUAYTJ-ZANVPECISA-N 0 2 294.307 1.988 10 5 CDBELN CCOC(=O)[C@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000413646029 364200224 /nfs/dbraw/zinc/20/02/24/364200224.db2.gz DXWIVSKMYBEUIA-SECBINFHSA-N 0 2 296.279 1.828 10 5 CDBELN O=C(NC[C@H](O)C1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000456886848 364796969 /nfs/dbraw/zinc/79/69/69/364796969.db2.gz TXVZFVGMOXJWKA-LBPRGKRZSA-N 0 2 280.280 1.191 10 5 CDBELN CCOC(=O)c1cc([N+](=O)[O-])c(=O)[nH]c1C(F)(F)F ZINC000575434152 364912053 /nfs/dbraw/zinc/91/20/53/364912053.db2.gz IFYKXDBUPMCMHF-UHFFFAOYSA-N 0 2 280.158 1.891 10 5 CDBELN CCC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000296091624 373752810 /nfs/dbraw/zinc/75/28/10/373752810.db2.gz HQOGWIUEFBUFJJ-UHFFFAOYSA-N 0 2 250.254 1.973 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC[C@H]1C1CC1 ZINC000283418349 375114521 /nfs/dbraw/zinc/11/45/21/375114521.db2.gz MAXNHOWUYDDDRP-NSHDSACASA-N 0 2 292.291 1.551 10 5 CDBELN CC1(C)OCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000296344566 375579738 /nfs/dbraw/zinc/57/97/38/375579738.db2.gz SZNMMZKWTFWVSX-LLVKDONJSA-N 0 2 280.280 1.598 10 5 CDBELN CC(C)(O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354845200 375755703 /nfs/dbraw/zinc/75/57/03/375755703.db2.gz XSJONUMOSDDTSP-UHFFFAOYSA-N 0 2 268.269 1.191 10 5 CDBELN COc1nn(C)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355174034 375780482 /nfs/dbraw/zinc/78/04/82/375780482.db2.gz KLQVMQSXCSCEGZ-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN CC(=O)C[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281348005 195206167 /nfs/dbraw/zinc/20/61/67/195206167.db2.gz VESDMNMAVVUPIM-ZETCQYMHSA-N 0 2 266.253 1.398 10 5 CDBELN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281216649 393155601 /nfs/dbraw/zinc/15/56/01/393155601.db2.gz LYEMMWFZFNESHW-ONGXEEELSA-N 0 2 294.307 1.533 10 5 CDBELN Cc1nnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000217316612 140163473 /nfs/dbraw/zinc/16/34/73/140163473.db2.gz VGUNKQARELZLFH-UHFFFAOYSA-N 0 2 280.265 1.713 10 5 CDBELN O=C(Nc1ccc(=O)[nH]c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000312290639 149229803 /nfs/dbraw/zinc/22/98/03/149229803.db2.gz AYAUWJHYLDKXOE-UHFFFAOYSA-N 0 2 275.220 1.653 10 5 CDBELN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ncon1 ZINC000343876757 152336906 /nfs/dbraw/zinc/33/69/06/152336906.db2.gz SSOZSLRZZUPWOZ-ZCFIWIBFSA-N 0 2 278.224 1.174 10 5 CDBELN CC1(C)SC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355853052 157266263 /nfs/dbraw/zinc/26/62/63/157266263.db2.gz DRTGJOUAJCXTGU-JTQLQIEISA-N 0 2 282.321 1.924 10 5 CDBELN Cc1ccc(Nc2ncnc(NN(C)C)c2[N+](=O)[O-])nc1 ZINC000040628934 174357251 /nfs/dbraw/zinc/35/72/51/174357251.db2.gz BMVLLNBOARHZOU-UHFFFAOYSA-N 0 2 289.299 1.720 10 5 CDBELN CO[C@H](C)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000311477699 294265107 /nfs/dbraw/zinc/26/51/07/294265107.db2.gz KEURBUIPLDGIRC-MRVPVSSYSA-N 0 2 268.269 1.407 10 5 CDBELN C[C@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000408100213 300343450 /nfs/dbraw/zinc/34/34/50/300343450.db2.gz RFGSFDPAPZJUTG-QMMMGPOBSA-N 0 2 266.253 1.161 10 5 CDBELN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000365162505 527456688 /nfs/dbraw/zinc/45/66/88/527456688.db2.gz BCLPZYBFWYJNDF-RNFRBKRXSA-N 0 2 296.333 1.292 10 5 CDBELN Cn1ncc(Nc2ncc([N+](=O)[O-])cn2)c1C1CC1 ZINC000770128293 575425030 /nfs/dbraw/zinc/42/50/30/575425030.db2.gz ZVUHQFMQBPVZMF-UHFFFAOYSA-N 0 2 260.257 1.739 10 5 CDBELN O=C(Nc1cc(Cl)[nH]n1)c1ccc([N+](=O)[O-])cc1O ZINC000773468381 575794570 /nfs/dbraw/zinc/79/45/70/575794570.db2.gz NTJORRLIPQZZED-UHFFFAOYSA-N 0 2 282.643 1.929 10 5 CDBELN O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001642403181 1167172484 /nfs/dbraw/zinc/17/24/84/1167172484.db2.gz VAOXZBPYVZMQJO-SNVBAGLBSA-N 0 2 288.263 1.372 10 5 CDBELN CCn1nccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001470276759 970309516 /nfs/dbraw/zinc/30/95/16/970309516.db2.gz UVNPANDBZVVBMK-UHFFFAOYSA-N 0 2 290.279 1.447 10 5 CDBELN CC(C)OCCONC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000812801413 1163732772 /nfs/dbraw/zinc/73/27/72/1163732772.db2.gz TWRPACHUNDMTSU-UHFFFAOYSA-N 0 2 284.268 1.387 10 5 CDBELN O=C(NCC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000611534514 346814633 /nfs/dbraw/zinc/81/46/33/346814633.db2.gz LUOADUYPQMFOTC-SNVBAGLBSA-N 0 2 280.280 1.599 10 5 CDBELN CCO[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600366280 342159260 /nfs/dbraw/zinc/15/92/60/342159260.db2.gz KKACXMGMHLAVQL-YPMHNXCESA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000593289545 342784731 /nfs/dbraw/zinc/78/47/31/342784731.db2.gz XWTFZDPVPQLEKF-ZANVPECISA-N 0 2 294.307 1.986 10 5 CDBELN C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000593289545 342784733 /nfs/dbraw/zinc/78/47/33/342784733.db2.gz XWTFZDPVPQLEKF-ZANVPECISA-N 0 2 294.307 1.986 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600442936 342209084 /nfs/dbraw/zinc/20/90/84/342209084.db2.gz SLHZFJAIIMCNIQ-LOKDSWTASA-N 0 2 294.307 1.842 10 5 CDBELN CC[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593731705 342830403 /nfs/dbraw/zinc/83/04/03/342830403.db2.gz BPMAGKPFTUNQSN-LBPRGKRZSA-N 0 2 294.307 1.904 10 5 CDBELN CC[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593731705 342830404 /nfs/dbraw/zinc/83/04/04/342830404.db2.gz BPMAGKPFTUNQSN-LBPRGKRZSA-N 0 2 294.307 1.904 10 5 CDBELN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)O1 ZINC000598211859 343734078 /nfs/dbraw/zinc/73/40/78/343734078.db2.gz HLKXNTKWSMIQBZ-KOLCDFICSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](C)C1=O ZINC000598114775 343717033 /nfs/dbraw/zinc/71/70/33/343717033.db2.gz ZFNLGKARVWGYBO-RKDXNWHRSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@H](O)[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598239091 343746702 /nfs/dbraw/zinc/74/67/02/343746702.db2.gz UGCNACNSFZBYMP-WCBMZHEXSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(NCC1(CO)CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598905570 343922265 /nfs/dbraw/zinc/92/22/65/343922265.db2.gz HECCWUWNIXNLIJ-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN CN(Cc1ccncc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000358087667 360632947 /nfs/dbraw/zinc/63/29/47/360632947.db2.gz XPEDUFDZVDWXMZ-UHFFFAOYSA-N 0 2 287.275 1.968 10 5 CDBELN CCOC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436838677 364822708 /nfs/dbraw/zinc/82/27/08/364822708.db2.gz NBUPDMDCKGXQFC-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN O=C(N[C@@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000298382466 373516430 /nfs/dbraw/zinc/51/64/30/373516430.db2.gz PTAQZTPMUDNLDQ-GXSJLCMTSA-N 0 2 294.307 1.581 10 5 CDBELN Nc1ccc(I)c(O)c1[N+](=O)[O-] ZINC000575727940 374142036 /nfs/dbraw/zinc/14/20/36/374142036.db2.gz LYJMIHHFFHSWQG-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN C[C@@H](O)CCN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281081445 195096115 /nfs/dbraw/zinc/09/61/15/195096115.db2.gz UNENADCMRLSQGV-MRVPVSSYSA-N 0 2 268.269 1.143 10 5 CDBELN COC(=O)C(C)(C)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000416292963 391983682 /nfs/dbraw/zinc/98/36/82/391983682.db2.gz SYXXHMYZZVREQQ-UHFFFAOYSA-N 0 2 296.279 1.324 10 5 CDBELN CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281216636 393155078 /nfs/dbraw/zinc/15/50/78/393155078.db2.gz LYEMMWFZFNESHW-GXSJLCMTSA-N 0 2 294.307 1.533 10 5 CDBELN Cc1cccnc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235789664 140237794 /nfs/dbraw/zinc/23/77/94/140237794.db2.gz MQNKTZLOLKXATH-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN CC(C)(C)C[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346854408 153329162 /nfs/dbraw/zinc/32/91/62/153329162.db2.gz UAFDPXJAQWBHRY-VIFPVBQESA-N 0 2 296.323 1.827 10 5 CDBELN CC(C)OCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000349792529 154219591 /nfs/dbraw/zinc/21/95/91/154219591.db2.gz YPFCKFPBTAHGOU-UHFFFAOYSA-N 0 2 282.296 1.845 10 5 CDBELN CC(C)[C@H](CCO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353774666 156074649 /nfs/dbraw/zinc/07/46/49/156074649.db2.gz IOXPAYVYKXGSJE-NSHDSACASA-N 0 2 282.296 1.437 10 5 CDBELN Cc1cc(C)c([N+](=O)[O-])c(NCc2n[nH]c(=O)[nH]2)n1 ZINC000359100907 158126995 /nfs/dbraw/zinc/12/69/95/158126995.db2.gz QSONHQLCZNWIGY-UHFFFAOYSA-N 0 2 264.245 1.042 10 5 CDBELN Cn1ccnc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000382412841 323639031 /nfs/dbraw/zinc/63/90/31/323639031.db2.gz VSOGLXUKILAHHD-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN Cc1cc(CO)oc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000339350753 524796488 /nfs/dbraw/zinc/79/64/88/524796488.db2.gz FIPTZGRCYZZJHA-UHFFFAOYSA-N 0 2 292.247 1.946 10 5 CDBELN Cc1ccc2[nH]c(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nc2c1 ZINC000839778927 812014545 /nfs/dbraw/zinc/01/45/45/812014545.db2.gz LDNCXVJSYQLBOO-GMSGAONNSA-N 0 2 260.253 1.475 10 5 CDBELN Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[nH]c2c1 ZINC000839778927 812014554 /nfs/dbraw/zinc/01/45/54/812014554.db2.gz LDNCXVJSYQLBOO-GMSGAONNSA-N 0 2 260.253 1.475 10 5 CDBELN Cc1ccc2nc(NC(=O)[C@@H]3CC3[N+](=O)[O-])[nH]c2c1 ZINC000839778927 812014565 /nfs/dbraw/zinc/01/45/65/812014565.db2.gz LDNCXVJSYQLBOO-GMSGAONNSA-N 0 2 260.253 1.475 10 5 CDBELN CCCc1nccnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857660218 814529676 /nfs/dbraw/zinc/52/96/76/814529676.db2.gz IXRXAARHEWQKCF-VXNVDRBHSA-N 0 2 250.258 1.033 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(F)CC1 ZINC000689834461 896082628 /nfs/dbraw/zinc/08/26/28/896082628.db2.gz AKKRKQRUWJMALI-UHFFFAOYSA-N 0 2 268.244 1.875 10 5 CDBELN Cc1nocc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001141491851 936883833 /nfs/dbraw/zinc/88/38/33/936883833.db2.gz PKYDHAUEFUFYHL-UHFFFAOYSA-N 0 2 277.236 1.527 10 5 CDBELN Cc1ccc([N+](=O)[O-])c(C(=O)NN2CCCNC2=O)c1C ZINC001466605297 969978107 /nfs/dbraw/zinc/97/81/07/969978107.db2.gz NCYFSUJDRIKSGK-UHFFFAOYSA-N 0 2 292.295 1.272 10 5 CDBELN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000436959033 362155631 /nfs/dbraw/zinc/15/56/31/362155631.db2.gz LFHDKNIPDNUCKM-SNVBAGLBSA-N 0 2 296.279 1.372 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](C)[C@H]1O ZINC000598191622 343727494 /nfs/dbraw/zinc/72/74/94/343727494.db2.gz ZGKLXAIONKWYFM-WOFXILAISA-N 0 2 294.307 1.389 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn(C2CC2)nn1 ZINC000599749779 344135387 /nfs/dbraw/zinc/13/53/87/344135387.db2.gz AHZRHJCAWVRDSB-UHFFFAOYSA-N 0 2 289.251 1.479 10 5 CDBELN CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000336815997 356283290 /nfs/dbraw/zinc/28/32/90/356283290.db2.gz KBVJUNWKQMSONS-SECBINFHSA-N 0 2 268.269 1.455 10 5 CDBELN CC(C)C[C@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186663402 357673479 /nfs/dbraw/zinc/67/34/79/357673479.db2.gz LVFZJAWDQZLWTO-LLVKDONJSA-N 0 2 296.323 1.779 10 5 CDBELN CCOC(=O)c1cc(O)cc(C(=O)OCC)c1[N+](=O)[O-] ZINC000584657382 358816597 /nfs/dbraw/zinc/81/65/97/358816597.db2.gz OTNFURKNLNWOOP-UHFFFAOYSA-N 0 2 283.236 1.654 10 5 CDBELN CC[C@H](O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354965906 360342105 /nfs/dbraw/zinc/34/21/05/360342105.db2.gz UGPWPLCIHPXSCP-QMMMGPOBSA-N 0 2 268.269 1.191 10 5 CDBELN C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000414019278 360948028 /nfs/dbraw/zinc/94/80/28/360948028.db2.gz CDIJDSNIVSUFCL-ZJUUUORDSA-N 0 2 294.307 1.533 10 5 CDBELN CC1(C)OCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295757397 370619906 /nfs/dbraw/zinc/61/99/06/370619906.db2.gz BPDBPVCIXSNLAD-SNVBAGLBSA-N 0 2 280.280 1.598 10 5 CDBELN CC[C@@](C)(CO)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000520427020 371931936 /nfs/dbraw/zinc/93/19/36/371931936.db2.gz YDPRVRZXKXEDGJ-LBPRGKRZSA-N 0 2 268.269 1.648 10 5 CDBELN C[C@H](F)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000356658319 372999042 /nfs/dbraw/zinc/99/90/42/372999042.db2.gz VEBXSWQGXMUBLW-ZETCQYMHSA-N 0 2 256.233 1.778 10 5 CDBELN Nc1c(I)ccc(O)c1[N+](=O)[O-] ZINC000575727906 374141991 /nfs/dbraw/zinc/14/19/91/374141991.db2.gz KIUXSFPEVFNLNO-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN NC(=O)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000187667089 390903020 /nfs/dbraw/zinc/90/30/20/390903020.db2.gz BPJPWGBDSYHPGO-UHFFFAOYSA-N 0 2 281.268 1.285 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000217316653 140163114 /nfs/dbraw/zinc/16/31/14/140163114.db2.gz QKXZZASNEUFRDL-DTWKUNHWSA-N 0 2 280.280 1.455 10 5 CDBELN COCCC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000234825525 140231604 /nfs/dbraw/zinc/23/16/04/140231604.db2.gz BDWVUZMZHQVTSS-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN O=C(NC[C@H]1CCCC[C@@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000334051539 149309243 /nfs/dbraw/zinc/30/92/43/149309243.db2.gz VJBYQIVCBBWXLY-RNCFNFMXSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(NCc1ncccc1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355434834 157052056 /nfs/dbraw/zinc/05/20/56/157052056.db2.gz LPVNORNBMWCNEC-UHFFFAOYSA-N 0 2 289.247 1.331 10 5 CDBELN Cc1cc(C)c([N+](=O)[O-])c(NCCCc2n[nH]c(=O)[nH]2)n1 ZINC000359088645 158123250 /nfs/dbraw/zinc/12/32/50/158123250.db2.gz BIMCEDXGCHXCRM-UHFFFAOYSA-N 0 2 292.299 1.475 10 5 CDBELN O=[N+]([O-])c1cc(-c2n[nH]c([C@@H]3CCCO3)n2)ccc1O ZINC000072237694 176346460 /nfs/dbraw/zinc/34/64/60/176346460.db2.gz BFJHVHAVWWSASR-JTQLQIEISA-N 0 2 276.252 1.937 10 5 CDBELN O=C(Nc1ccc[n+]([O-])c1)c1ccc([N+](=O)[O-])cc1O ZINC001642385611 1167171809 /nfs/dbraw/zinc/17/18/09/1167171809.db2.gz RSWPXUTYQMPBIP-UHFFFAOYSA-N 0 2 275.220 1.186 10 5 CDBELN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600522401 342229861 /nfs/dbraw/zinc/22/98/61/342229861.db2.gz OVTQVCKUFSISEG-NOZJJQNGSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000598035997 343701369 /nfs/dbraw/zinc/70/13/69/343701369.db2.gz HCCDLRSXFLMXTN-QMMMGPOBSA-N 0 2 280.280 1.191 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000598296462 343758076 /nfs/dbraw/zinc/75/80/76/343758076.db2.gz NZSOPFYSRONEKX-ZJUUUORDSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]1C(F)F ZINC000601602639 344207924 /nfs/dbraw/zinc/20/79/24/344207924.db2.gz IZLNIRHFKHFIOA-QMMMGPOBSA-N 0 2 272.207 1.780 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000186012952 304003582 /nfs/dbraw/zinc/00/35/82/304003582.db2.gz LLNXLXRIWILQLH-LNLATYFQSA-N 0 2 278.264 1.806 10 5 CDBELN CC/C=C\CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456103657 363401087 /nfs/dbraw/zinc/40/10/87/363401087.db2.gz SAFCCXXQMPQFQU-ARJAWSKDSA-N 0 2 250.254 1.996 10 5 CDBELN CC(C)C[C@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000186634196 357670038 /nfs/dbraw/zinc/67/00/38/357670038.db2.gz SAHFDSOGEVNTNE-LLVKDONJSA-N 0 2 296.323 1.779 10 5 CDBELN Cc1c[nH]cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1=O ZINC000361659622 358409457 /nfs/dbraw/zinc/40/94/57/358409457.db2.gz ICVQJUPUOUAVQS-UHFFFAOYSA-N 0 2 289.247 1.549 10 5 CDBELN O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000347782220 359637683 /nfs/dbraw/zinc/63/76/83/359637683.db2.gz IMUSNHQVFOEGNJ-UHFFFAOYSA-N 0 2 287.323 1.635 10 5 CDBELN O=C(N[C@@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1O ZINC000298284901 200382832 /nfs/dbraw/zinc/38/28/32/200382832.db2.gz MAVXMLMINNWEIJ-VHSXEESVSA-N 0 2 294.307 1.581 10 5 CDBELN CC[C@H](C)[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355014864 360447261 /nfs/dbraw/zinc/44/72/61/360447261.db2.gz HEMPEDUYOYJIEV-QPUJVOFHSA-N 0 2 282.296 1.437 10 5 CDBELN Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000130444748 360553950 /nfs/dbraw/zinc/55/39/50/360553950.db2.gz ZBUZGJIDDQQXAA-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN CN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179473020 189197111 /nfs/dbraw/zinc/19/71/11/189197111.db2.gz GEHMWALUUBPZQK-JTQLQIEISA-N 0 2 280.280 1.551 10 5 CDBELN CC/C=C\CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000385042150 367878886 /nfs/dbraw/zinc/87/88/86/367878886.db2.gz RJSCBJVBBJUVKP-ARJAWSKDSA-N 0 2 250.254 1.996 10 5 CDBELN CCC(CC)(NC(=O)c1cccc(O)c1[N+](=O)[O-])C(N)=O ZINC000281049413 195082529 /nfs/dbraw/zinc/08/25/29/195082529.db2.gz XFXCPCXYAYBSJQ-UHFFFAOYSA-N 0 2 295.295 1.074 10 5 CDBELN CC(C)(C)C[C@@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281068229 195091246 /nfs/dbraw/zinc/09/12/46/195091246.db2.gz ZKYJVAGWMVBHKG-SECBINFHSA-N 0 2 296.323 1.827 10 5 CDBELN CO[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000191472210 130241765 /nfs/dbraw/zinc/24/17/65/130241765.db2.gz SFVFDQHCGXHSDH-YUMQZZPRSA-N 0 2 268.269 1.454 10 5 CDBELN CN(Cc1ccncc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234323002 140229789 /nfs/dbraw/zinc/22/97/89/140229789.db2.gz XAVRXYAAXQMQFR-UHFFFAOYSA-N 0 2 287.275 1.968 10 5 CDBELN O=C(NCCCCF)c1ccc([N+](=O)[O-])c(O)c1 ZINC000311133272 149210262 /nfs/dbraw/zinc/21/02/62/149210262.db2.gz RKDJUSRVMWCPNO-UHFFFAOYSA-N 0 2 256.233 1.780 10 5 CDBELN C[C@@H](CO)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346818063 153310792 /nfs/dbraw/zinc/31/07/92/153310792.db2.gz CPUAOAMASJAZBL-YUMQZZPRSA-N 0 2 268.269 1.047 10 5 CDBELN Cc1nn(-c2cc[nH+]c(C(=O)[O-])c2)c(C)c1[N+](=O)[O-] ZINC000037323822 173124199 /nfs/dbraw/zinc/12/41/99/173124199.db2.gz SVBCWSPTHNQQAA-UHFFFAOYSA-N 0 2 262.225 1.491 10 5 CDBELN CCc1nc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])sc1C ZINC000044702004 175235541 /nfs/dbraw/zinc/23/55/41/175235541.db2.gz GDIWJXNHXQOJCU-SVRRBLITSA-N 0 2 255.299 1.618 10 5 CDBELN O=[N+]([O-])c1cc(-c2n[nH]c([C@H]3CCCO3)n2)ccc1O ZINC000072237695 176346562 /nfs/dbraw/zinc/34/65/62/176346562.db2.gz BFJHVHAVWWSASR-SNVBAGLBSA-N 0 2 276.252 1.937 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000217316836 280088395 /nfs/dbraw/zinc/08/83/95/280088395.db2.gz BKHMLXAEXFHBKE-PRHODGIISA-N 0 2 280.280 1.143 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000235326126 280126704 /nfs/dbraw/zinc/12/67/04/280126704.db2.gz HRIYXGNZHVQUIH-SECBINFHSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(C(F)(F)F)C1 ZINC000551988987 290037505 /nfs/dbraw/zinc/03/75/05/290037505.db2.gz FRFVGEYJNIIANE-UHFFFAOYSA-N 0 2 290.197 1.935 10 5 CDBELN CCC(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556955463 290319076 /nfs/dbraw/zinc/31/90/76/290319076.db2.gz LLNWGCOOJOUFQG-UHFFFAOYSA-N 0 2 252.226 1.009 10 5 CDBELN O=C(Nc1nccc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001627491318 1166000840 /nfs/dbraw/zinc/00/08/40/1166000840.db2.gz AHRQJKIJQQOFNZ-GHMZBOCLSA-N 0 2 257.249 1.839 10 5 CDBELN CC1=NO[C@@](C)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC001637881915 1166795538 /nfs/dbraw/zinc/79/55/38/1166795538.db2.gz YEEDYCBOYOWJKA-GFCCVEGCSA-N 0 2 279.252 1.794 10 5 CDBELN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cn[nH]n1 ZINC001468896117 970200886 /nfs/dbraw/zinc/20/08/86/970200886.db2.gz BRMSVLYAOSCHFF-UHFFFAOYSA-N 0 2 291.267 1.084 10 5 CDBELN CCN(C[C@H]1CCOC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586753543 342466441 /nfs/dbraw/zinc/46/64/41/342466441.db2.gz XWPUKICXPSTRJI-SNVBAGLBSA-N 0 2 294.307 1.799 10 5 CDBELN CN(C[C@H](O)C1CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586795367 342470129 /nfs/dbraw/zinc/47/01/29/342470129.db2.gz DFNDBHQLRKHYNH-LBPRGKRZSA-N 0 2 280.280 1.143 10 5 CDBELN CCCC[C@](C)(CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592852846 342737048 /nfs/dbraw/zinc/73/70/48/342737048.db2.gz JAOQNXCGDIMUKU-CQSZACIVSA-N 0 2 296.323 1.971 10 5 CDBELN O=C(NCCCCF)c1cc([N+](=O)[O-])ccc1O ZINC000436832011 362242305 /nfs/dbraw/zinc/24/23/05/362242305.db2.gz QXANVHALSITWSJ-UHFFFAOYSA-N 0 2 256.233 1.780 10 5 CDBELN Cc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000597203924 343473489 /nfs/dbraw/zinc/47/34/89/343473489.db2.gz YYEQQVUNDROEJI-UHFFFAOYSA-N 0 2 263.341 1.897 10 5 CDBELN C[C@@]12COC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000598222623 343736977 /nfs/dbraw/zinc/73/69/77/343736977.db2.gz AWQAFQDCUFSHCN-YMTOWFKASA-N 0 2 292.291 1.409 10 5 CDBELN C[C@]12COC[C@H]1CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000598225101 343737927 /nfs/dbraw/zinc/73/79/27/343737927.db2.gz LKXXTBSZKBNOFR-OTYXRUKQSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]1C(F)F ZINC000601608413 344210045 /nfs/dbraw/zinc/21/00/45/344210045.db2.gz YVDNXEYEHSXTAF-VIFPVBQESA-N 0 2 272.207 1.780 10 5 CDBELN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnoc1 ZINC000604542269 344899256 /nfs/dbraw/zinc/89/92/56/344899256.db2.gz JRFGMGXFHXMMIJ-UHFFFAOYSA-N 0 2 297.292 1.946 10 5 CDBELN O=c1c2c(O)cc(O)cc2oc2cc(O)cc(O)c21 ZINC000014764537 356721795 /nfs/dbraw/zinc/72/17/95/356721795.db2.gz CMBUJUMLPKDEOH-UHFFFAOYSA-N 0 2 260.201 1.769 10 5 CDBELN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CC[C@H](O)CC1 ZINC000275924505 193163702 /nfs/dbraw/zinc/16/37/02/193163702.db2.gz NBNAYQVMQPNZDT-HOMQSWHASA-N 0 2 294.307 1.676 10 5 CDBELN O=C(NOCC1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000293820338 373053070 /nfs/dbraw/zinc/05/30/70/373053070.db2.gz RLTKBUDQPZEYFB-UHFFFAOYSA-N 0 2 252.226 1.372 10 5 CDBELN CCCC(=O)NCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546418 374698105 /nfs/dbraw/zinc/69/81/05/374698105.db2.gz OVUPXMIJYJKXEX-UHFFFAOYSA-N 0 2 281.268 1.155 10 5 CDBELN O=c1[nH]nc(SCc2csc([N+](=O)[O-])c2)[nH]1 ZINC000446064076 250260942 /nfs/dbraw/zinc/26/09/42/250260942.db2.gz SYUSTEXZHRASGJ-UHFFFAOYSA-N 0 2 258.284 1.772 10 5 CDBELN CCN(C[C@@H](C)OC)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000292415697 285015952 /nfs/dbraw/zinc/01/59/52/285015952.db2.gz ZUJGWDXBJRIDSD-SECBINFHSA-N 0 2 282.296 1.797 10 5 CDBELN COC1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000458059197 292159658 /nfs/dbraw/zinc/15/96/58/292159658.db2.gz HSNIUPIESLYGIN-UHFFFAOYSA-N 0 2 294.307 1.988 10 5 CDBELN CCCCCN(CCO)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000362962333 159278134 /nfs/dbraw/zinc/27/81/34/159278134.db2.gz CSOJUSFEGOUUCD-UHFFFAOYSA-N 0 2 296.323 1.925 10 5 CDBELN Cc1ccc([C@@H](C)NCc2nn[nH]n2)cc1[N+](=O)[O-] ZINC000044928160 175279433 /nfs/dbraw/zinc/27/94/33/175279433.db2.gz GVPPAYNTCMWQBN-MRVPVSSYSA-N 0 2 262.273 1.267 10 5 CDBELN COCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183901145 323350098 /nfs/dbraw/zinc/35/00/98/323350098.db2.gz JPLSSQFHEGYXMU-UHFFFAOYSA-N 0 2 254.242 1.666 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000340732228 526770878 /nfs/dbraw/zinc/77/08/78/526770878.db2.gz AWQZWRVRSBUTJV-UHFFFAOYSA-N 0 2 280.280 1.145 10 5 CDBELN O=C(N[C@H]1COC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC001637150185 1166730066 /nfs/dbraw/zinc/73/00/66/1166730066.db2.gz JRKXBZPDXQBOQQ-RYUDHWBXSA-N 0 2 292.291 1.455 10 5 CDBELN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001595435413 1174203599 /nfs/dbraw/zinc/20/35/99/1174203599.db2.gz DQEFEJFDUZAQCB-MWLCHTKSSA-N 0 2 288.263 1.386 10 5 CDBELN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001595435413 1174203608 /nfs/dbraw/zinc/20/36/08/1174203608.db2.gz DQEFEJFDUZAQCB-MWLCHTKSSA-N 0 2 288.263 1.386 10 5 CDBELN CC[C@H](C[C@@H](C)O)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001636053458 1166646877 /nfs/dbraw/zinc/64/68/77/1166646877.db2.gz IAXBUJIQSMLHQO-RKDXNWHRSA-N 0 2 282.296 1.580 10 5 CDBELN COc1cccc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc21 ZINC000847210660 833409612 /nfs/dbraw/zinc/40/96/12/833409612.db2.gz LKZHAQAPHZZEKB-HTRCEHHLSA-N 0 2 293.304 1.909 10 5 CDBELN O=C(Nc1nc2cc(F)ccc2[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839746354 830475689 /nfs/dbraw/zinc/47/56/89/830475689.db2.gz WKSQZHZGEWXXPV-HZGVNTEJSA-N 0 2 264.216 1.306 10 5 CDBELN O=C(NC1CC2(CSC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000871507683 832870699 /nfs/dbraw/zinc/87/06/99/832870699.db2.gz QZMZTRMWJVBDDI-UHFFFAOYSA-N 0 2 294.332 1.926 10 5 CDBELN Cc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])noc1C(C)(C)C ZINC001535827722 969583826 /nfs/dbraw/zinc/58/38/26/969583826.db2.gz RMCAMLXOPCIQGR-HTQZYQBOSA-N 0 2 267.285 1.884 10 5 CDBELN COc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001466628864 969981466 /nfs/dbraw/zinc/98/14/66/969981466.db2.gz IEVRLEWHJSMYNN-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600260144 341991192 /nfs/dbraw/zinc/99/11/92/341991192.db2.gz VPXJHJKWNUEZDP-RMLUDKJBSA-N 0 2 292.291 1.598 10 5 CDBELN CC(=O)NCC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000593595942 342815333 /nfs/dbraw/zinc/81/53/33/342815333.db2.gz LNTUZZADPOZOHN-UHFFFAOYSA-N 0 2 295.295 1.401 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600798347 342249943 /nfs/dbraw/zinc/24/99/43/342249943.db2.gz ADGAVRYBINNQGS-RLCGTCKNSA-N 0 2 292.291 1.286 10 5 CDBELN COC1CC(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000597861376 343649954 /nfs/dbraw/zinc/64/99/54/343649954.db2.gz LASRHCAVUYIIHV-UHFFFAOYSA-N 0 2 294.307 1.845 10 5 CDBELN CN(CC1=CCCOC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598197507 343728164 /nfs/dbraw/zinc/72/81/64/343728164.db2.gz LEHAEFKLBGBHRL-UHFFFAOYSA-N 0 2 292.291 1.719 10 5 CDBELN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598302112 343758941 /nfs/dbraw/zinc/75/89/41/343758941.db2.gz DQZKFDAKEAXDKI-VXGBXAGGSA-N 0 2 292.291 1.334 10 5 CDBELN CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000336815998 356285082 /nfs/dbraw/zinc/28/50/82/356285082.db2.gz KBVJUNWKQMSONS-VIFPVBQESA-N 0 2 268.269 1.455 10 5 CDBELN CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354527843 359404434 /nfs/dbraw/zinc/40/44/34/359404434.db2.gz QSYSNGYRWRGZOB-TVQRCGJNSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166146462 359698479 /nfs/dbraw/zinc/69/84/79/359698479.db2.gz QTKGSYAVIBJAMA-CBAPKCEASA-N 0 2 266.253 1.664 10 5 CDBELN CC[C@]1(O)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354829975 360205362 /nfs/dbraw/zinc/20/53/62/360205362.db2.gz XNEOXMQROCLGBS-ZDUSSCGKSA-N 0 2 280.280 1.287 10 5 CDBELN CO[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1C ZINC000456129802 363712601 /nfs/dbraw/zinc/71/26/01/363712601.db2.gz AYOCBFADSUCKRJ-BXKDBHETSA-N 0 2 294.307 1.797 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCOC1 ZINC000330614628 374868183 /nfs/dbraw/zinc/86/81/83/374868183.db2.gz TUZMXAXOMZPQBF-UHFFFAOYSA-N 0 2 252.226 1.120 10 5 CDBELN C/C=C/C[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354901703 375759678 /nfs/dbraw/zinc/75/96/78/375759678.db2.gz ODCMKIUPGMUAOC-HPOULIHZSA-N 0 2 280.280 1.357 10 5 CDBELN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000443358146 250026468 /nfs/dbraw/zinc/02/64/68/250026468.db2.gz MNDOAJLANOHSLK-UHFFFAOYSA-N 0 2 289.294 1.754 10 5 CDBELN CN(Cc1cnccn1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186659600 391348162 /nfs/dbraw/zinc/34/81/62/391348162.db2.gz GVFYVSNECCRTGS-UHFFFAOYSA-N 0 2 288.263 1.363 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1=O ZINC000330606631 393143055 /nfs/dbraw/zinc/14/30/55/393143055.db2.gz OCQDUNNJVIGRPN-MRVPVSSYSA-N 0 2 278.264 1.352 10 5 CDBELN Cn1cc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000217316003 140163034 /nfs/dbraw/zinc/16/30/34/140163034.db2.gz BOGPMGUYQLBNKQ-UHFFFAOYSA-N 0 2 290.279 1.006 10 5 CDBELN O=C(NCc1ccc[nH]1)c1cccc(O)c1[N+](=O)[O-] ZINC000343137254 152047033 /nfs/dbraw/zinc/04/70/33/152047033.db2.gz CPMTZZGGVJWIMT-UHFFFAOYSA-N 0 2 261.237 1.559 10 5 CDBELN O=C(NCCOC1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560930 526346885 /nfs/dbraw/zinc/34/68/85/526346885.db2.gz NSVYXRJEQDKBSP-UHFFFAOYSA-N 0 2 294.307 1.989 10 5 CDBELN O=C(C[C@@H]1COC(=O)C1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776204483 617607329 /nfs/dbraw/zinc/60/73/29/617607329.db2.gz OKJCGZBESJWZPW-ZETCQYMHSA-N 0 2 280.236 1.192 10 5 CDBELN CS[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000871096898 840066094 /nfs/dbraw/zinc/06/60/94/840066094.db2.gz WQQQSLLKFVBGII-XWEPSHTISA-N 0 2 282.321 1.924 10 5 CDBELN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2F)n1 ZINC000235969398 932814737 /nfs/dbraw/zinc/81/47/37/932814737.db2.gz BBEVFNHOXJOVCE-UHFFFAOYSA-N 0 2 265.204 1.413 10 5 CDBELN O=C(NCC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000157755002 342042680 /nfs/dbraw/zinc/04/26/80/342042680.db2.gz NYHVESDWASEHRY-SNVBAGLBSA-N 0 2 280.280 1.599 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(C1)CCCO2 ZINC000600314668 342087850 /nfs/dbraw/zinc/08/78/50/342087850.db2.gz RVSIKAFNXGSOEG-UHFFFAOYSA-N 0 2 278.264 1.305 10 5 CDBELN COc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1 ZINC000436864170 362002785 /nfs/dbraw/zinc/00/27/85/362002785.db2.gz LNQRPXPUHXZXQN-UHFFFAOYSA-N 0 2 290.235 1.351 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600794621 342249562 /nfs/dbraw/zinc/24/95/62/342249562.db2.gz RTQPTLQHVVXYSP-RLCGTCKNSA-N 0 2 292.291 1.286 10 5 CDBELN Cc1noc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000594412516 342901764 /nfs/dbraw/zinc/90/17/64/342901764.db2.gz SZUNNQZRMFLJFY-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1 ZINC000194745163 363060383 /nfs/dbraw/zinc/06/03/83/363060383.db2.gz WOHJJBQNZXQLED-PELKAZGASA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H](F)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436529930 358759321 /nfs/dbraw/zinc/75/93/21/358759321.db2.gz AXXNKPADBXHENH-ZETCQYMHSA-N 0 2 256.233 1.778 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000166112659 359668252 /nfs/dbraw/zinc/66/82/52/359668252.db2.gz KUIHDDQGWBVSRK-QMMMGPOBSA-N 0 2 266.253 1.666 10 5 CDBELN CSCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235038591 359705828 /nfs/dbraw/zinc/70/58/28/359705828.db2.gz INTUGFWMVHVDPH-UHFFFAOYSA-N 0 2 256.283 1.393 10 5 CDBELN O=C(CN1CCSC1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275131135 192925918 /nfs/dbraw/zinc/92/59/18/192925918.db2.gz OPLYQASWCLSBBE-UHFFFAOYSA-N 0 2 297.292 1.408 10 5 CDBELN O=c1[nH]nc(Sc2nc3c(cc2[N+](=O)[O-])CCCC3)[nH]1 ZINC000582118832 364068562 /nfs/dbraw/zinc/06/85/62/364068562.db2.gz RGGQQAOYBOYUBA-UHFFFAOYSA-N 0 2 293.308 1.844 10 5 CDBELN CC(F)(F)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000569374946 294190192 /nfs/dbraw/zinc/19/01/92/294190192.db2.gz ZRGZMXXIAMXBBA-UHFFFAOYSA-N 0 2 260.196 1.685 10 5 CDBELN COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000580779617 372689506 /nfs/dbraw/zinc/68/95/06/372689506.db2.gz LXLNBGTXBOTPED-UHFFFAOYSA-N 0 2 294.263 1.126 10 5 CDBELN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCO1 ZINC000092546622 374697885 /nfs/dbraw/zinc/69/78/85/374697885.db2.gz GILSIQJOAOONOO-GFCCVEGCSA-N 0 2 266.253 1.808 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000300240747 375456374 /nfs/dbraw/zinc/45/63/74/375456374.db2.gz VJJQLZIASFMJRY-NHCYSSNCSA-N 0 2 292.291 1.143 10 5 CDBELN CCC[C@@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353396734 375604275 /nfs/dbraw/zinc/60/42/75/375604275.db2.gz UZPRIDYNVPSPSV-CYBMUJFWSA-N 0 2 282.296 1.581 10 5 CDBELN CC[C@@]1(O)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354829970 375755279 /nfs/dbraw/zinc/75/52/79/375755279.db2.gz XNEOXMQROCLGBS-CYBMUJFWSA-N 0 2 280.280 1.287 10 5 CDBELN O=C(NCCCCF)c1cccc(O)c1[N+](=O)[O-] ZINC000428476986 247312020 /nfs/dbraw/zinc/31/20/20/247312020.db2.gz SPSXCADDBLMLQT-UHFFFAOYSA-N 0 2 256.233 1.780 10 5 CDBELN Cc1n[nH]c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000362746521 390863945 /nfs/dbraw/zinc/86/39/45/390863945.db2.gz IEJZOCCFRRQEAS-UHFFFAOYSA-N 0 2 297.221 1.481 10 5 CDBELN Cn1cc(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000487804801 393211832 /nfs/dbraw/zinc/21/18/32/393211832.db2.gz WSEZQAJWOHUWFG-UHFFFAOYSA-N 0 2 290.279 1.006 10 5 CDBELN CSC[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316505 140163170 /nfs/dbraw/zinc/16/31/70/140163170.db2.gz PUNBFHXEYLGGJK-SSDOTTSWSA-N 0 2 270.310 1.782 10 5 CDBELN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])on1 ZINC000235840654 140237294 /nfs/dbraw/zinc/23/72/94/140237294.db2.gz GXRWZLMPUAWYRK-UHFFFAOYSA-N 0 2 277.236 1.527 10 5 CDBELN CN(Cc1ccccn1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343077243 152024036 /nfs/dbraw/zinc/02/40/36/152024036.db2.gz IONYETIDNWSZSS-UHFFFAOYSA-N 0 2 287.275 1.968 10 5 CDBELN C[C@@H](CO)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346818059 153311214 /nfs/dbraw/zinc/31/12/14/153311214.db2.gz CPUAOAMASJAZBL-JGVFFNPUSA-N 0 2 268.269 1.047 10 5 CDBELN O=C(NCCCOC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000355851074 157264917 /nfs/dbraw/zinc/26/49/17/157264917.db2.gz AIRACVLYKJKFIG-UHFFFAOYSA-N 0 2 290.222 1.660 10 5 CDBELN O=[N+]([O-])c1c([N-]c2nccs2)ncnc1-n1cc[nH+]c1 ZINC000040647865 174364965 /nfs/dbraw/zinc/36/49/65/174364965.db2.gz JPTHMQWNSYYOGD-UHFFFAOYSA-N 0 2 289.280 1.771 10 5 CDBELN CC1(C)COC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000313049657 270323964 /nfs/dbraw/zinc/32/39/64/270323964.db2.gz ZOCUEMVPSCLPBB-NSHDSACASA-N 0 2 280.280 1.455 10 5 CDBELN CC(C)N(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000292739283 279315265 /nfs/dbraw/zinc/31/52/65/279315265.db2.gz GTOXSCDKKDJCGR-SNVBAGLBSA-N 0 2 294.307 1.940 10 5 CDBELN CC1(C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1O ZINC000295813119 281222848 /nfs/dbraw/zinc/22/28/48/281222848.db2.gz BUSOSRGFFAELKQ-JTQLQIEISA-N 0 2 280.280 1.143 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000234328523 288919355 /nfs/dbraw/zinc/91/93/55/288919355.db2.gz XLEOQGVXMSUNKJ-MRVPVSSYSA-N 0 2 282.321 1.878 10 5 CDBELN C[C@H]1CC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343960418 300076014 /nfs/dbraw/zinc/07/60/14/300076014.db2.gz OHLSYAUVLCKLPQ-IONNQARKSA-N 0 2 250.254 1.829 10 5 CDBELN O=C(NCC1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560712 527614261 /nfs/dbraw/zinc/61/42/61/527614261.db2.gz RNACKHSZGSWBSU-UHFFFAOYSA-N 0 2 280.280 1.457 10 5 CDBELN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C[C@@H]2COc3ccccc32)no1 ZINC000897085391 620369805 /nfs/dbraw/zinc/36/98/05/620369805.db2.gz HQMJSDFNGIKHFM-FBIMIBRVSA-N 0 2 287.275 1.921 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccn(C)n1 ZINC001626192436 1163973065 /nfs/dbraw/zinc/97/30/65/1163973065.db2.gz KRVNMHOMLZGTIU-QMMMGPOBSA-N 0 2 290.279 1.525 10 5 CDBELN CN(CCCF)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000716735185 844051345 /nfs/dbraw/zinc/05/13/45/844051345.db2.gz LHSIRAQGXMYNDH-UHFFFAOYSA-N 0 2 256.233 1.732 10 5 CDBELN Cc1sc(C(=O)NN2CCOC2=O)cc1[N+](=O)[O-] ZINC000862698603 844845626 /nfs/dbraw/zinc/84/56/26/844845626.db2.gz YKQADUVLELGZCB-UHFFFAOYSA-N 0 2 271.254 1.062 10 5 CDBELN Cc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1C ZINC001447256751 966735318 /nfs/dbraw/zinc/73/53/18/966735318.db2.gz BMBOYGWMTMELLO-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN CCc1nc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])sc1C ZINC000044702007 398170880 /nfs/dbraw/zinc/17/08/80/398170880.db2.gz GDIWJXNHXQOJCU-POYBYMJQSA-N 0 2 255.299 1.618 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]2COC[C@@H]21 ZINC000590921530 342609198 /nfs/dbraw/zinc/60/91/98/342609198.db2.gz GMIFNRHRKFPTBK-KOLCDFICSA-N 0 2 292.291 1.551 10 5 CDBELN CC[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)OC ZINC000592858887 342738938 /nfs/dbraw/zinc/73/89/38/342738938.db2.gz JKGIWFAKQJFLCZ-MRVPVSSYSA-N 0 2 296.279 1.229 10 5 CDBELN C[C@@H](COCC1CC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000593859636 342841804 /nfs/dbraw/zinc/84/18/04/342841804.db2.gz WHTJNBXBULQSJG-VIFPVBQESA-N 0 2 294.307 1.845 10 5 CDBELN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000436959032 362154076 /nfs/dbraw/zinc/15/40/76/362154076.db2.gz LFHDKNIPDNUCKM-JTQLQIEISA-N 0 2 296.279 1.372 10 5 CDBELN O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436996692 362250895 /nfs/dbraw/zinc/25/08/95/362250895.db2.gz DSZPZQGJJDKDBV-WDEREUQCSA-N 0 2 262.265 1.829 10 5 CDBELN O=C(NC[C@H]1CCCC[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000182042304 365064754 /nfs/dbraw/zinc/06/47/54/365064754.db2.gz CKSXJDSHROIKER-BXKDBHETSA-N 0 2 294.307 1.581 10 5 CDBELN CCC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330595707 203015546 /nfs/dbraw/zinc/01/55/46/203015546.db2.gz CITYOBKDQDBTJH-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@]2(CCOC2)C1 ZINC000370536078 374395481 /nfs/dbraw/zinc/39/54/81/374395481.db2.gz OYUKRIHETWXNEF-AWEZNQCLSA-N 0 2 292.291 1.553 10 5 CDBELN CC(C)c1cc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH][nH]1 ZINC000352059865 375350853 /nfs/dbraw/zinc/35/08/53/375350853.db2.gz JTVSUYSEMAEWDW-UHFFFAOYSA-N 0 2 290.279 1.821 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@H]21 ZINC000353268945 375592785 /nfs/dbraw/zinc/59/27/85/375592785.db2.gz TUSBVZIRKLVMAY-GZMMTYOYSA-N 0 2 262.265 1.925 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](C2CC2)C1 ZINC000364488547 390964845 /nfs/dbraw/zinc/96/48/45/390964845.db2.gz VFOCFERVAQXUCN-ZDUSSCGKSA-N 0 2 292.291 1.551 10 5 CDBELN CCOC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000399971453 391125805 /nfs/dbraw/zinc/12/58/05/391125805.db2.gz FHSAYJPGCICUOY-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN Cc1nc(C)c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])o1 ZINC000314998107 149257612 /nfs/dbraw/zinc/25/76/12/149257612.db2.gz WDXHVOCLLCPPFA-UHFFFAOYSA-N 0 2 291.263 1.835 10 5 CDBELN CCOC1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000341246195 151798693 /nfs/dbraw/zinc/79/86/93/151798693.db2.gz HBZDGJAHKDMVTR-UHFFFAOYSA-N 0 2 266.253 1.161 10 5 CDBELN CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354067099 156251097 /nfs/dbraw/zinc/25/10/97/156251097.db2.gz YSFQMGICIVKLFP-NXEZZACHSA-N 0 2 296.323 1.827 10 5 CDBELN Cc1ccc(Nc2ncnc(NN)c2[N+](=O)[O-])nc1 ZINC000040656778 174365516 /nfs/dbraw/zinc/36/55/16/174365516.db2.gz HKMSBJAJDOGCAC-UHFFFAOYSA-N 0 2 261.245 1.117 10 5 CDBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000232798542 280122175 /nfs/dbraw/zinc/12/21/75/280122175.db2.gz SWNDHSVMCUFNBE-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN CC[C@H]1CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000584233604 327071743 /nfs/dbraw/zinc/07/17/43/327071743.db2.gz BFWMWFDTTSVOCD-QMMMGPOBSA-N 0 2 250.254 1.925 10 5 CDBELN C[C@@H]1CCCCN1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000912146146 629817910 /nfs/dbraw/zinc/81/79/10/629817910.db2.gz QOVXWNDZSCHYRS-SECBINFHSA-N 0 2 279.296 1.820 10 5 CDBELN Cc1ncc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC001610896747 1165475572 /nfs/dbraw/zinc/47/55/72/1165475572.db2.gz YXRJOGUVUWRDGT-UHFFFAOYSA-N 0 2 277.236 1.778 10 5 CDBELN Cc1[nH]cnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001624546825 1165847810 /nfs/dbraw/zinc/84/78/10/1165847810.db2.gz LKTVYIKVWSMNSK-UHFFFAOYSA-N 0 2 262.225 1.584 10 5 CDBELN O=C(NCc1cccc(F)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000802836403 850001262 /nfs/dbraw/zinc/00/12/62/850001262.db2.gz WFPUCNYGEVHWHN-UHFFFAOYSA-N 0 2 291.238 1.765 10 5 CDBELN C[C@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1cnccn1 ZINC001261793002 946279498 /nfs/dbraw/zinc/27/94/98/946279498.db2.gz SXOIOUOQFLFNCO-LKEWCRSYSA-N 0 2 261.241 1.144 10 5 CDBELN CCn1cc([N+](=O)[O-])c(C(=O)Nc2conc2C)n1 ZINC001530857277 969201003 /nfs/dbraw/zinc/20/10/03/969201003.db2.gz MFYOPAVMCRHWED-UHFFFAOYSA-N 0 2 265.229 1.360 10 5 CDBELN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000600520339 342229643 /nfs/dbraw/zinc/22/96/43/342229643.db2.gz FJCATSJJUWBQRJ-SKDRFNHKSA-N 0 2 292.291 1.598 10 5 CDBELN CO[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000600798456 342250014 /nfs/dbraw/zinc/25/00/14/342250014.db2.gz TXBDUCKOKVJYKO-DTORHVGOSA-N 0 2 280.280 1.455 10 5 CDBELN CCOC(=O)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436974469 362220377 /nfs/dbraw/zinc/22/03/77/362220377.db2.gz YSJVKLKRNCXWEC-QMMMGPOBSA-N 0 2 296.279 1.324 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]2COC[C@H]2C1 ZINC000598395620 343784904 /nfs/dbraw/zinc/78/49/04/343784904.db2.gz QBLXNCZTWAYGST-NXEZZACHSA-N 0 2 292.291 1.409 10 5 CDBELN CC12CC(C1)CN2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598571558 343833034 /nfs/dbraw/zinc/83/30/34/343833034.db2.gz QKYBZJFMDOYXQA-UHFFFAOYSA-N 0 2 262.265 1.925 10 5 CDBELN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnoc1 ZINC000604542531 344899667 /nfs/dbraw/zinc/89/96/67/344899667.db2.gz YUYWTAZVMHTPOF-UHFFFAOYSA-N 0 2 299.264 1.392 10 5 CDBELN CCOC1CC(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000293578315 362747898 /nfs/dbraw/zinc/74/78/98/362747898.db2.gz WXVIVWZOZVHZGT-UHFFFAOYSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(Cn1cc[nH+]c1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566653018 358277329 /nfs/dbraw/zinc/27/73/29/358277329.db2.gz WVZKZPODYXNCSH-UHFFFAOYSA-N 0 2 296.670 1.789 10 5 CDBELN COC[C@@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361659713 358408996 /nfs/dbraw/zinc/40/89/96/358408996.db2.gz ITYVPQSWVRYQQS-QMMMGPOBSA-N 0 2 268.269 1.912 10 5 CDBELN COC[C@@]1(C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000381749584 361273281 /nfs/dbraw/zinc/27/32/81/361273281.db2.gz NGJBPINQHWIZGX-AWEZNQCLSA-N 0 2 294.307 1.799 10 5 CDBELN O=C(NC[C@@H](CO)C1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436809623 361451162 /nfs/dbraw/zinc/45/11/62/361451162.db2.gz UPMOZQWXTCWIKE-VIFPVBQESA-N 0 2 280.280 1.049 10 5 CDBELN COc1cnc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nc1 ZINC000436835142 364896808 /nfs/dbraw/zinc/89/68/08/364896808.db2.gz CIFRRRNLGUDTBX-UHFFFAOYSA-N 0 2 290.235 1.351 10 5 CDBELN Cc1cc(=O)[nH]cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546231 373704782 /nfs/dbraw/zinc/70/47/82/373704782.db2.gz YEELMPRNIKNAKN-UHFFFAOYSA-N 0 2 289.247 1.549 10 5 CDBELN CC(C)[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000427383912 247134743 /nfs/dbraw/zinc/13/47/43/247134743.db2.gz LPZLSXFFYBPRSF-CYBMUJFWSA-N 0 2 282.296 1.437 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000354725149 391921747 /nfs/dbraw/zinc/92/17/47/391921747.db2.gz SZKGQILERUAYTJ-RNCFNFMXSA-N 0 2 294.307 1.988 10 5 CDBELN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000045351027 175361556 /nfs/dbraw/zinc/36/15/56/175361556.db2.gz UWMDOYLTDDMWFL-UHFFFAOYSA-N 0 2 282.281 1.427 10 5 CDBELN Cc1c[nH]c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000354857966 302363221 /nfs/dbraw/zinc/36/32/21/302363221.db2.gz WWALFIXWBPPNNE-UHFFFAOYSA-N 0 2 262.225 1.584 10 5 CDBELN CNc1ccc(S(=O)(=O)Nc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000050655815 522637175 /nfs/dbraw/zinc/63/71/75/522637175.db2.gz JOCKKELVFZLIJW-UHFFFAOYSA-N 0 2 297.296 1.160 10 5 CDBELN C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000049237791 524964272 /nfs/dbraw/zinc/96/42/72/524964272.db2.gz HBASYDQLEFXSGV-VIFPVBQESA-N 0 2 290.279 1.990 10 5 CDBELN O=C(CN1CCCCC1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183911680 526738795 /nfs/dbraw/zinc/73/87/95/526738795.db2.gz VCFLWKVUEJBASE-UHFFFAOYSA-N 0 2 293.279 1.251 10 5 CDBELN C[C@@H]1CNc2c(Nc3ncc([N+](=O)[O-])cn3)cnn2C1 ZINC001612678291 1165522106 /nfs/dbraw/zinc/52/21/06/1165522106.db2.gz DVOYZWYRLIWMCI-SSDOTTSWSA-N 0 2 275.272 1.387 10 5 CDBELN O=C(NCC[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC001606746387 1163980351 /nfs/dbraw/zinc/98/03/51/1163980351.db2.gz HNPDQQSCORFKAG-LLVKDONJSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(/C=C\[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000819431040 709793509 /nfs/dbraw/zinc/79/35/09/709793509.db2.gz OKZRGEQIURRWCM-AYYIZTPMSA-N 0 2 278.264 1.974 10 5 CDBELN O=C(Nc1cc2oc(=O)[nH]c2cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855376950 711663362 /nfs/dbraw/zinc/66/33/62/711663362.db2.gz FYZXDADKURTASG-SPGJFGJESA-N 0 2 281.199 1.276 10 5 CDBELN CC[C@@H](O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001632236373 1166337691 /nfs/dbraw/zinc/33/76/91/1166337691.db2.gz LVIPIMGLPUTFKI-OIBJUYFYSA-N 0 2 268.269 1.646 10 5 CDBELN CN1C(=O)CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001466628897 969981044 /nfs/dbraw/zinc/98/10/44/969981044.db2.gz KBRVHIHDVJSIHV-SNVBAGLBSA-N 0 2 293.279 1.250 10 5 CDBELN O=C(N[C@H]1CCC[C@@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586522600 342465043 /nfs/dbraw/zinc/46/50/43/342465043.db2.gz AMYQEZPSBKOJCC-DTWKUNHWSA-N 0 2 280.280 1.334 10 5 CDBELN CC1(c2nc(=NC(=O)c3cc([N+](=O)[O-])c[nH]3)s[nH]2)CC1 ZINC000600226836 341987103 /nfs/dbraw/zinc/98/71/03/341987103.db2.gz CRVHJCHCOSSPGE-UHFFFAOYSA-N 0 2 293.308 1.500 10 5 CDBELN O=C(NCCC1CSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000597789012 343635905 /nfs/dbraw/zinc/63/59/05/343635905.db2.gz IOMRKNBBINCEES-UHFFFAOYSA-N 0 2 282.321 1.783 10 5 CDBELN C[C@H]1CCC[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])O1 ZINC000598217289 343735597 /nfs/dbraw/zinc/73/55/97/343735597.db2.gz ULMVZQPSOLMARX-UWVGGRQHSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H]2COC[C@H]2C1 ZINC000598394806 343784664 /nfs/dbraw/zinc/78/46/64/343784664.db2.gz NHSDELBVLXYUAO-VHSXEESVSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]1C(F)F ZINC000601600754 344206880 /nfs/dbraw/zinc/20/68/80/344206880.db2.gz CIGGGEFCGDLOJO-MRVPVSSYSA-N 0 2 272.207 1.780 10 5 CDBELN CC(C)C[C@H](CO)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295151035 199374200 /nfs/dbraw/zinc/37/42/00/199374200.db2.gz FHDQBRFSNGSQII-SNVBAGLBSA-N 0 2 296.323 1.779 10 5 CDBELN C[C@@H]1C[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000412650861 240308963 /nfs/dbraw/zinc/30/89/63/240308963.db2.gz KTUSZMZXMGKUID-UTLUCORTSA-N 0 2 294.307 1.844 10 5 CDBELN CC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000413978499 241003069 /nfs/dbraw/zinc/00/30/69/241003069.db2.gz PRDPNNARHKKYEO-MFKMUULPSA-N 0 2 296.323 1.826 10 5 CDBELN NC(=O)c1ccc(O)c(Br)c1[N+](=O)[O-] ZINC000575692551 373867363 /nfs/dbraw/zinc/86/73/63/373867363.db2.gz YPJWKADCXPDUKK-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN C[C@H]1C[C@@H](CO)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000421972878 374346322 /nfs/dbraw/zinc/34/63/22/374346322.db2.gz STEHAIBULMFJED-VHSXEESVSA-N 0 2 294.307 1.391 10 5 CDBELN CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)OCCCO1 ZINC000277609623 374797841 /nfs/dbraw/zinc/79/78/41/374797841.db2.gz TYIZVKKFBYLBGC-UHFFFAOYSA-N 0 2 296.279 1.183 10 5 CDBELN C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280715988 375015946 /nfs/dbraw/zinc/01/59/46/375015946.db2.gz BSADDNVVUIYMCK-RKDXNWHRSA-N 0 2 282.296 1.437 10 5 CDBELN Cn1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1=O ZINC000507543096 254102148 /nfs/dbraw/zinc/10/21/48/254102148.db2.gz ABJGFVPCHFGUCC-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN C[C@@H](O)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316326 140163661 /nfs/dbraw/zinc/16/36/61/140163661.db2.gz QUXQRGKHFDJDAX-RKDXNWHRSA-N 0 2 280.280 1.143 10 5 CDBELN O=C(NCCOCC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560950 140240564 /nfs/dbraw/zinc/24/05/64/140240564.db2.gz SXJGDVGUHUUUTK-UHFFFAOYSA-N 0 2 280.280 1.457 10 5 CDBELN O=C(NC[C@H]1CCCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561578 140241231 /nfs/dbraw/zinc/24/12/31/140241231.db2.gz MTJIXQQCTJLLAC-SECBINFHSA-N 0 2 280.280 1.457 10 5 CDBELN CCOC(=O)C[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354089027 156264846 /nfs/dbraw/zinc/26/48/46/156264846.db2.gz WIRJDVSRTZVMBJ-MRVPVSSYSA-N 0 2 296.279 1.372 10 5 CDBELN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000354323210 156386445 /nfs/dbraw/zinc/38/64/45/156386445.db2.gz AOQGERCBDPSSII-WCQYABFASA-N 0 2 294.307 1.988 10 5 CDBELN O=C(Nc1nncn1C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000356183256 157387593 /nfs/dbraw/zinc/38/75/93/157387593.db2.gz CULHHFRXKNSSQE-UHFFFAOYSA-N 0 2 289.251 1.479 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000230178333 280114781 /nfs/dbraw/zinc/11/47/81/280114781.db2.gz VJJQLZIASFMJRY-HOSYDEDBSA-N 0 2 292.291 1.143 10 5 CDBELN CC1(C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1O ZINC000295813120 281222853 /nfs/dbraw/zinc/22/28/53/281222853.db2.gz BUSOSRGFFAELKQ-SNVBAGLBSA-N 0 2 280.280 1.143 10 5 CDBELN C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000359832752 299877448 /nfs/dbraw/zinc/87/74/48/299877448.db2.gz MDVNRUZOVFUZNK-LKFCYVNXSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC12CCOCC2 ZINC000373125379 304532228 /nfs/dbraw/zinc/53/22/28/304532228.db2.gz SWKHHGLPOIZSCE-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCOC1 ZINC000297153128 304549699 /nfs/dbraw/zinc/54/96/99/304549699.db2.gz RTILDZVDTZKECD-UHFFFAOYSA-N 0 2 252.226 1.120 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc[n+]([O-])cc1 ZINC000753703358 576854340 /nfs/dbraw/zinc/85/43/40/576854340.db2.gz UNEPQGUGISTALM-UHFFFAOYSA-N 0 2 275.220 1.186 10 5 CDBELN O=C(N=[S@@]1(=O)CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000926037224 617347600 /nfs/dbraw/zinc/34/76/00/617347600.db2.gz OKIFIOKJKKMNCJ-QVMDTKBZSA-N 0 2 280.305 1.261 10 5 CDBELN O=C(N=[S@@]1(=O)CCc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000926037224 617347601 /nfs/dbraw/zinc/34/76/01/617347601.db2.gz OKIFIOKJKKMNCJ-QVMDTKBZSA-N 0 2 280.305 1.261 10 5 CDBELN O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc([N+](=O)[O-])cc1O ZINC001179310206 915798148 /nfs/dbraw/zinc/79/81/48/915798148.db2.gz QJXNIECLAQOXKJ-WAPUPBOZSA-N 0 2 290.275 1.206 10 5 CDBELN O=C(N[C@@H](CCO)C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000797306958 937326805 /nfs/dbraw/zinc/32/68/05/937326805.db2.gz CXPDXTFNKQQNKE-NSHDSACASA-N 0 2 280.280 1.191 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600444671 342209597 /nfs/dbraw/zinc/20/95/97/342209597.db2.gz XLDMQJXMCOCQDH-LOKDSWTASA-N 0 2 294.307 1.842 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCn2nccc21 ZINC000436961943 362155367 /nfs/dbraw/zinc/15/53/67/362155367.db2.gz LAUKVHUZFRMSAR-UHFFFAOYSA-N 0 2 288.263 1.547 10 5 CDBELN Cn1cc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1 ZINC000597490918 343556831 /nfs/dbraw/zinc/55/68/31/343556831.db2.gz AMPZOYOTTZHQMX-UHFFFAOYSA-N 0 2 291.267 1.000 10 5 CDBELN O=C(N[C@H](CO)C1CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597922597 343662483 /nfs/dbraw/zinc/66/24/83/343662483.db2.gz ZVIUBZOVGXVTBI-SNVBAGLBSA-N 0 2 280.280 1.191 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1O ZINC000598182795 343730192 /nfs/dbraw/zinc/73/01/92/343730192.db2.gz CTGCCHOWECVQES-RKDXNWHRSA-N 0 2 294.307 1.389 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]2COC[C@H]2C1 ZINC000598392931 343784164 /nfs/dbraw/zinc/78/41/64/343784164.db2.gz IQXRZQVHCMRNPX-NXEZZACHSA-N 0 2 292.291 1.409 10 5 CDBELN CC1(C)OCc2[nH]n(-c3ccc([N+](=O)[O-])cc3F)c(=O)c21 ZINC000601944156 344289653 /nfs/dbraw/zinc/28/96/53/344289653.db2.gz USYCKILTSHYSOA-NSHDSACASA-N 0 2 293.254 1.862 10 5 CDBELN COC(=O)c1ccc(-c2noc([C@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000075610057 346763419 /nfs/dbraw/zinc/76/34/19/346763419.db2.gz TUWJPKRBBUWBME-VHSXEESVSA-N 0 2 289.247 1.656 10 5 CDBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000311176138 350653827 /nfs/dbraw/zinc/65/38/27/350653827.db2.gz UOJAMAOCNBKMHA-UHFFFAOYSA-N 0 2 250.254 1.782 10 5 CDBELN Cc1nc(C)c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000436741234 359552882 /nfs/dbraw/zinc/55/28/82/359552882.db2.gz SUMKGOSXDQKHBH-UHFFFAOYSA-N 0 2 291.263 1.835 10 5 CDBELN C[C@H]1OCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166146194 359698453 /nfs/dbraw/zinc/69/84/53/359698453.db2.gz QTKGSYAVIBJAMA-VXNVDRBHSA-N 0 2 266.253 1.664 10 5 CDBELN CC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)OCCCO1 ZINC000277545989 374793271 /nfs/dbraw/zinc/79/32/71/374793271.db2.gz MHHJGMHWSGFAQS-UHFFFAOYSA-N 0 2 296.279 1.183 10 5 CDBELN C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C[C@H](C)O ZINC000280715983 375016649 /nfs/dbraw/zinc/01/66/49/375016649.db2.gz BSADDNVVUIYMCK-BDAKNGLRSA-N 0 2 282.296 1.437 10 5 CDBELN C[C@H](F)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356655426 375856502 /nfs/dbraw/zinc/85/65/02/375856502.db2.gz DDDHOFZJHAMZFM-ZETCQYMHSA-N 0 2 256.233 1.778 10 5 CDBELN CC(C)O[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000457875614 391654397 /nfs/dbraw/zinc/65/43/97/391654397.db2.gz SCJRFBUWRAKVGG-AOOOYVTPSA-N 0 2 294.307 1.986 10 5 CDBELN Cc1nn(C)c(C)c1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263965929 131370174 /nfs/dbraw/zinc/37/01/74/131370174.db2.gz RSTDYMCHQCUTEE-UHFFFAOYSA-N 0 2 263.261 1.061 10 5 CDBELN CC[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000421986150 392948628 /nfs/dbraw/zinc/94/86/28/392948628.db2.gz KARKAOVHWSUDJS-MWLCHTKSSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H](O)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316328 140163098 /nfs/dbraw/zinc/16/30/98/140163098.db2.gz QUXQRGKHFDJDAX-BDAKNGLRSA-N 0 2 280.280 1.143 10 5 CDBELN CN(CC1CCOCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234293262 140229339 /nfs/dbraw/zinc/22/93/39/140229339.db2.gz VSJGMRMGAHRMMR-UHFFFAOYSA-N 0 2 294.307 1.799 10 5 CDBELN O=C(NCc1ccncn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236562089 140241351 /nfs/dbraw/zinc/24/13/51/140241351.db2.gz ZZDQIWOKVHJSNT-UHFFFAOYSA-N 0 2 274.236 1.020 10 5 CDBELN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n[nH]1 ZINC000120670329 397608296 /nfs/dbraw/zinc/60/82/96/397608296.db2.gz POVRDZQLGMCKGO-UHFFFAOYSA-N 0 2 276.252 1.838 10 5 CDBELN CN(C)C(=O)C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000346816802 153309754 /nfs/dbraw/zinc/30/97/54/153309754.db2.gz AUCAVCMZLMDVRK-UHFFFAOYSA-N 0 2 293.279 1.107 10 5 CDBELN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc(O)ccc1[N+](=O)[O-] ZINC000355494875 157081092 /nfs/dbraw/zinc/08/10/92/157081092.db2.gz FVPUWDLIHVOUFO-GDGBQDQQSA-N 0 2 262.265 1.829 10 5 CDBELN C[C@H]1[C@H](CO)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000414029124 300701064 /nfs/dbraw/zinc/70/10/64/300701064.db2.gz IEWKKSDGNCJIBF-UWVGGRQHSA-N 0 2 294.307 1.533 10 5 CDBELN O=c1[nH]nc([C@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)[nH]1 ZINC000340847654 527412425 /nfs/dbraw/zinc/41/24/25/527412425.db2.gz IQRNQBHSKLPHPO-QMMMGPOBSA-N 0 2 290.283 1.198 10 5 CDBELN O=Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)co1 ZINC001610896804 1165475975 /nfs/dbraw/zinc/47/59/75/1165475975.db2.gz ZLEGCLLMTBRRDT-UHFFFAOYSA-N 0 2 276.204 1.958 10 5 CDBELN C[C@H]1CN=C(NC(=O)c2cc(O)ccc2[N+](=O)[O-])S1 ZINC000819782146 1164202067 /nfs/dbraw/zinc/20/20/67/1164202067.db2.gz NTWOXPLEICDNIP-LURJTMIESA-N 0 2 281.293 1.522 10 5 CDBELN Cc1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(C2CC2)n1 ZINC000841155582 936978227 /nfs/dbraw/zinc/97/82/27/936978227.db2.gz SCQUDLZJFJYOPL-PSASIEDQSA-N 0 2 262.269 1.266 10 5 CDBELN Cc1ccnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C1CC1 ZINC000857311489 928693724 /nfs/dbraw/zinc/69/37/24/928693724.db2.gz JWGDJOZVVKLMPR-NXEZZACHSA-N 0 2 261.281 1.871 10 5 CDBELN Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2n1 ZINC000928681875 933172005 /nfs/dbraw/zinc/17/20/05/933172005.db2.gz JMIAYSTUVGJJKC-HTRCEHHLSA-N 0 2 278.293 1.603 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](CCF)C1 ZINC000600498032 342228222 /nfs/dbraw/zinc/22/82/22/342228222.db2.gz VZYYQXWLAYKWBJ-SNVBAGLBSA-N 0 2 298.270 1.501 10 5 CDBELN C[C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)O1 ZINC000598211860 343734087 /nfs/dbraw/zinc/73/40/87/343734087.db2.gz HLKXNTKWSMIQBZ-MWLCHTKSSA-N 0 2 294.307 1.988 10 5 CDBELN CO[C@H](C)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355032903 365849860 /nfs/dbraw/zinc/84/98/60/365849860.db2.gz PUOLSVBAUGZVQH-JGVFFNPUSA-N 0 2 268.269 1.454 10 5 CDBELN O=C(N[C@@H]1CCCSC1)c1cccc(O)c1[N+](=O)[O-] ZINC000293776343 303853551 /nfs/dbraw/zinc/85/35/51/303853551.db2.gz NWTQQOFNMBHMJB-MRVPVSSYSA-N 0 2 282.321 1.926 10 5 CDBELN COCC1(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000566279332 357442537 /nfs/dbraw/zinc/44/25/37/357442537.db2.gz PZVSINLCICYYBV-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC(=O)NC1 ZINC000282686188 357472377 /nfs/dbraw/zinc/47/23/77/357472377.db2.gz JMYXIMVXFKCCGN-ZDUSSCGKSA-N 0 2 293.279 1.155 10 5 CDBELN CCOC(=O)[C@H](CC)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000412241128 240107757 /nfs/dbraw/zinc/10/77/57/240107757.db2.gz HKBQARXOZVAYBO-SECBINFHSA-N 0 2 296.279 1.828 10 5 CDBELN NC(=O)c1cc(O)c(Br)c([N+](=O)[O-])c1 ZINC000575690855 373869049 /nfs/dbraw/zinc/86/90/49/373869049.db2.gz DDFUQFUWVOTWFK-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN COC(=O)c1c(Br)ccc([N+](=O)[O-])c1O ZINC000575712769 373973597 /nfs/dbraw/zinc/97/35/97/373973597.db2.gz QBMJWWJYQJNSPS-UHFFFAOYSA-N 0 2 276.042 1.850 10 5 CDBELN O=C(NC[C@H]1CCC[C@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353232452 375589366 /nfs/dbraw/zinc/58/93/66/375589366.db2.gz LGHOQIVNFXINJK-UWVGGRQHSA-N 0 2 294.307 1.581 10 5 CDBELN CCOC[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000353584892 375627446 /nfs/dbraw/zinc/62/74/46/375627446.db2.gz METOXHBTRHZDMP-JTQLQIEISA-N 0 2 294.307 1.799 10 5 CDBELN O=C(NCCc1ccc[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354401120 375704897 /nfs/dbraw/zinc/70/48/97/375704897.db2.gz GOEIPCABDXXKJR-UHFFFAOYSA-N 0 2 275.264 1.601 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000300295726 376065112 /nfs/dbraw/zinc/06/51/12/376065112.db2.gz QJBIHWHZNPSTBR-QWRKXWFKSA-N 0 2 292.291 1.143 10 5 CDBELN CCCCCN(CCO)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280920220 195029031 /nfs/dbraw/zinc/02/90/31/195029031.db2.gz GGSHCFOOTKMUTQ-UHFFFAOYSA-N 0 2 296.323 1.925 10 5 CDBELN CCOC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233759552 140226954 /nfs/dbraw/zinc/22/69/54/140226954.db2.gz YDIBUSZPWJPAMQ-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN C[C@H](Cn1cccn1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235479753 140235297 /nfs/dbraw/zinc/23/52/97/140235297.db2.gz ULEYVRLXJPRHMS-SECBINFHSA-N 0 2 290.279 1.315 10 5 CDBELN CCO[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456979601 286210938 /nfs/dbraw/zinc/21/09/38/286210938.db2.gz NPIMGFWYNFCVGN-ZYHUDNBSSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](CO)CC1 ZINC000356038646 157330581 /nfs/dbraw/zinc/33/05/81/157330581.db2.gz UJRHTRANTOIKIX-SNVBAGLBSA-N 0 2 294.307 1.535 10 5 CDBELN CC[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000421994940 288352204 /nfs/dbraw/zinc/35/22/04/288352204.db2.gz TYXZDKLKKIIWBA-KOLCDFICSA-N 0 2 294.307 1.988 10 5 CDBELN Cc1ncc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000339251344 527267265 /nfs/dbraw/zinc/26/72/65/527267265.db2.gz RMAMVRBEQKATPZ-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN COC[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217315783 536771068 /nfs/dbraw/zinc/77/10/68/536771068.db2.gz QOIXEDVNIQQALA-SECBINFHSA-N 0 2 280.280 1.409 10 5 CDBELN O=C(Nc1c[nH]nc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000774225119 575912361 /nfs/dbraw/zinc/91/23/61/575912361.db2.gz ABUUHMVJQKNOJS-UHFFFAOYSA-N 0 2 282.643 1.929 10 5 CDBELN O=C(NCc1cccnc1F)c1ccc([N+](=O)[O-])cc1O ZINC000794006094 1162456114 /nfs/dbraw/zinc/45/61/14/1162456114.db2.gz JNCLROBANKDAJV-UHFFFAOYSA-N 0 2 291.238 1.765 10 5 CDBELN O=C(NC/C=C\Cl)c1ccc([N+](=O)[O-])cc1O ZINC001636909668 1166707954 /nfs/dbraw/zinc/70/79/54/1166707954.db2.gz XYUGIGPQOFLPHK-RJRFIUFISA-N 0 2 256.645 1.783 10 5 CDBELN COC(=O)c1c(C)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1C ZINC001440029099 963916690 /nfs/dbraw/zinc/91/66/90/963916690.db2.gz DSXHMHLLWKLNOC-RKDXNWHRSA-N 0 2 293.279 1.089 10 5 CDBELN Cc1cnc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)nc1 ZINC001452045402 968050978 /nfs/dbraw/zinc/05/09/78/968050978.db2.gz QWMXYTJTXCBFCG-UHFFFAOYSA-N 0 2 288.263 1.329 10 5 CDBELN O=C(NCC[C@@H]1CCCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600165818 341982081 /nfs/dbraw/zinc/98/20/81/341982081.db2.gz UPMXYJVMJRLZDF-JTQLQIEISA-N 0 2 294.307 1.847 10 5 CDBELN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCOC1 ZINC000593816527 342838695 /nfs/dbraw/zinc/83/86/95/342838695.db2.gz YWYGDLAQXDJRFX-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN C[C@H](CCO)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593878962 342844028 /nfs/dbraw/zinc/84/40/28/342844028.db2.gz BGOYFKDOHSLAJU-MRVPVSSYSA-N 0 2 268.269 1.143 10 5 CDBELN CO[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000600773510 342248372 /nfs/dbraw/zinc/24/83/72/342248372.db2.gz SWUSDXDVTBQRTF-XWEPSHTISA-N 0 2 266.253 1.208 10 5 CDBELN COCCCOCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000597491759 343557383 /nfs/dbraw/zinc/55/73/83/343557383.db2.gz QIQVLCKYPMTYKV-UHFFFAOYSA-N 0 2 298.295 1.682 10 5 CDBELN COC[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)OC ZINC000597887040 343658156 /nfs/dbraw/zinc/65/81/56/343658156.db2.gz HNRBGSJWHLFRIT-JTQLQIEISA-N 0 2 298.295 1.082 10 5 CDBELN CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598060929 343699712 /nfs/dbraw/zinc/69/97/12/343699712.db2.gz ZJXXAOJULWTQRT-CZMCAQCFSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1CO ZINC000598909660 343922663 /nfs/dbraw/zinc/92/26/63/343922663.db2.gz LHYFMCJPKJODKT-ZJUUUORDSA-N 0 2 294.307 1.391 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H]1C(F)F ZINC000601608361 344209589 /nfs/dbraw/zinc/20/95/89/344209589.db2.gz YOYILRUDQFSQRG-ZETCQYMHSA-N 0 2 272.207 1.780 10 5 CDBELN O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000601889626 344280423 /nfs/dbraw/zinc/28/04/23/344280423.db2.gz WJZAAXKNOLVTJV-RNFRBKRXSA-N 0 2 290.197 1.981 10 5 CDBELN C[C@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271283074 191048229 /nfs/dbraw/zinc/04/82/29/191048229.db2.gz OJQQMXSKBIASOZ-YUMQZZPRSA-N 0 2 250.254 1.686 10 5 CDBELN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC(=O)Nc2ccccc21 ZINC000072288080 356742019 /nfs/dbraw/zinc/74/20/19/356742019.db2.gz XZUIIJZUZYALHZ-KCJUWKMLSA-N 0 2 275.264 1.027 10 5 CDBELN Cc1ncc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000107347527 357314953 /nfs/dbraw/zinc/31/49/53/357314953.db2.gz FKEAHXTWOXSHGA-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN CO[C@@H](C)CN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286584271 357531316 /nfs/dbraw/zinc/53/13/16/357531316.db2.gz RHRZIFDNNJGZIO-QMMMGPOBSA-N 0 2 268.269 1.407 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000166112540 359668692 /nfs/dbraw/zinc/66/86/92/359668692.db2.gz KUIHDDQGWBVSRK-MRVPVSSYSA-N 0 2 266.253 1.666 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](CF)C1 ZINC000412545257 240271672 /nfs/dbraw/zinc/27/16/72/240271672.db2.gz CVXCHYXTPUVIFK-SECBINFHSA-N 0 2 284.243 1.111 10 5 CDBELN COC(=O)c1cc(O)cc(Br)c1[N+](=O)[O-] ZINC000575711954 373973554 /nfs/dbraw/zinc/97/35/54/373973554.db2.gz BKMBOLVBDZMOBG-UHFFFAOYSA-N 0 2 276.042 1.850 10 5 CDBELN C[C@H]1COCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000278424935 374842683 /nfs/dbraw/zinc/84/26/83/374842683.db2.gz GKGHJPAPGFWPTP-WPRPVWTQSA-N 0 2 280.280 1.455 10 5 CDBELN CO[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CC1 ZINC000280248390 374989063 /nfs/dbraw/zinc/98/90/63/374989063.db2.gz IOXVNZPJAQZNAK-LLVKDONJSA-N 0 2 266.253 1.664 10 5 CDBELN O=C(NCCC[C@H]1CCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000401431498 375426447 /nfs/dbraw/zinc/42/64/47/375426447.db2.gz VWCJDHXSMOMOJV-JTQLQIEISA-N 0 2 294.307 1.847 10 5 CDBELN O=C(NCC1(CO)CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354893385 375759346 /nfs/dbraw/zinc/75/93/46/375759346.db2.gz WKHRSCGIGRDGOT-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN O=C(NCc1cccc(O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354413419 377492077 /nfs/dbraw/zinc/49/20/77/377492077.db2.gz BOJPYZXJLXZOIZ-UHFFFAOYSA-N 0 2 288.259 1.936 10 5 CDBELN O=[N+]([O-])c1ccccc1NCCN=c1[nH]ncs1 ZINC000443944091 250064091 /nfs/dbraw/zinc/06/40/91/250064091.db2.gz MOTGOYDCUJDSHE-UHFFFAOYSA-N 0 2 265.298 1.392 10 5 CDBELN COc1cc(CSc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000446073932 250263566 /nfs/dbraw/zinc/26/35/66/250263566.db2.gz VARJCJLDFGMJPD-UHFFFAOYSA-N 0 2 282.281 1.719 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]1C1CC1 ZINC000452995259 252242033 /nfs/dbraw/zinc/24/20/33/252242033.db2.gz RTNLWHUBSDGNDS-LLVKDONJSA-N 0 2 262.265 1.925 10 5 CDBELN CC[C@](C)(CCO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280849664 195000964 /nfs/dbraw/zinc/00/09/64/195000964.db2.gz AEOTUGINWWPQKD-CYBMUJFWSA-N 0 2 282.296 1.581 10 5 CDBELN CCC[C@@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCOC1 ZINC000288090575 197001951 /nfs/dbraw/zinc/00/19/51/197001951.db2.gz ZXMRXYZIRIEUCS-CQSZACIVSA-N 0 2 294.307 1.989 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000354725151 391921694 /nfs/dbraw/zinc/92/16/94/391921694.db2.gz SZKGQILERUAYTJ-TVQRCGJNSA-N 0 2 294.307 1.988 10 5 CDBELN Cc1ncc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000235953084 140237923 /nfs/dbraw/zinc/23/79/23/140237923.db2.gz QWMRFTLEYRUZEY-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN CC(C)(C)C[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353785692 156082155 /nfs/dbraw/zinc/08/21/55/156082155.db2.gz JFJAZIDGCBOVJB-SNVBAGLBSA-N 0 2 296.323 1.827 10 5 CDBELN NNc1ncnc(OC2CCCCC2)c1[N+](=O)[O-] ZINC000040656842 174365434 /nfs/dbraw/zinc/36/54/34/174365434.db2.gz ASXHWPYLQLVYFZ-UHFFFAOYSA-N 0 2 253.262 1.382 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000280693767 296925380 /nfs/dbraw/zinc/92/53/80/296925380.db2.gz DUMYNXDUIKDRKK-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(Nc1cnccc1CO)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183585156 279908032 /nfs/dbraw/zinc/90/80/32/279908032.db2.gz KTAHFAFBHHOAII-UHFFFAOYSA-N 0 2 289.247 1.440 10 5 CDBELN COc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nn1C ZINC000314302273 289432869 /nfs/dbraw/zinc/43/28/69/289432869.db2.gz YYZHHMFULYEPFX-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000300240746 304531383 /nfs/dbraw/zinc/53/13/83/304531383.db2.gz VJJQLZIASFMJRY-JBLDHEPKSA-N 0 2 292.291 1.143 10 5 CDBELN C[C@H]1CC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000310710507 300075947 /nfs/dbraw/zinc/07/59/47/300075947.db2.gz UIHYGHVMSWBVJO-OIBJUYFYSA-N 0 2 250.254 1.829 10 5 CDBELN C[C@H]1[C@@H](O)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000385269406 323703663 /nfs/dbraw/zinc/70/36/63/323703663.db2.gz ZSAPGDONRQSSDE-KWQFWETISA-N 0 2 280.280 1.286 10 5 CDBELN O=C(CCc1ccncn1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000191889272 534475812 /nfs/dbraw/zinc/47/58/12/534475812.db2.gz NNUAWMHIWATHIM-UHFFFAOYSA-N 0 2 288.263 1.662 10 5 CDBELN C[C@H]1CCCCN1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000912146147 629817567 /nfs/dbraw/zinc/81/75/67/629817567.db2.gz QOVXWNDZSCHYRS-VIFPVBQESA-N 0 2 279.296 1.820 10 5 CDBELN CONC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000864748237 678934053 /nfs/dbraw/zinc/93/40/53/678934053.db2.gz HSGPUDIINWZZGR-UHFFFAOYSA-N 0 2 250.254 1.694 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000720486343 679017995 /nfs/dbraw/zinc/01/79/95/679017995.db2.gz ZJOKMPIPYCUSNB-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN CSCCONC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000803286297 679215442 /nfs/dbraw/zinc/21/54/42/679215442.db2.gz MJANUGQPVOCEDH-UHFFFAOYSA-N 0 2 272.282 1.325 10 5 CDBELN COC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c1 ZINC000847050593 679645926 /nfs/dbraw/zinc/64/59/26/679645926.db2.gz QLEHRTJIIOTMSH-HTRCEHHLSA-N 0 2 299.670 1.125 10 5 CDBELN CC[C@@H](C[C@H](C)O)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001636053457 1166646784 /nfs/dbraw/zinc/64/67/84/1166646784.db2.gz IAXBUJIQSMLHQO-IUCAKERBSA-N 0 2 282.296 1.580 10 5 CDBELN O=C(CC1CSC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000601375441 342558218 /nfs/dbraw/zinc/55/82/18/342558218.db2.gz LBLZTQZTTNNFKD-UHFFFAOYSA-N 0 2 268.294 1.992 10 5 CDBELN COC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000592781296 342727759 /nfs/dbraw/zinc/72/77/59/342727759.db2.gz WUNMQSMDGXBFSR-UHFFFAOYSA-N 0 2 252.226 1.418 10 5 CDBELN CC[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593809583 342837877 /nfs/dbraw/zinc/83/78/77/342837877.db2.gz WYTOUBUBVICJGX-VHSXEESVSA-N 0 2 294.307 1.940 10 5 CDBELN CO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593816925 342838693 /nfs/dbraw/zinc/83/86/93/342838693.db2.gz SLNQJDNOIMKDIV-ZYHUDNBSSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])O1 ZINC000457372905 366164986 /nfs/dbraw/zinc/16/49/86/366164986.db2.gz QRVPPSFVLHEYQD-DTWKUNHWSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H]1COCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286791800 358008167 /nfs/dbraw/zinc/00/81/67/358008167.db2.gz JSGVBFYFJRLMNV-VHSXEESVSA-N 0 2 294.307 1.703 10 5 CDBELN CN(CC1CC(O)C1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000135356836 358305797 /nfs/dbraw/zinc/30/57/97/358305797.db2.gz MMLUSAPSKJXFER-UHFFFAOYSA-N 0 2 280.280 1.143 10 5 CDBELN Cc1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(O)c1 ZINC000436663038 359066992 /nfs/dbraw/zinc/06/69/92/359066992.db2.gz HZWQMYNVIQVULI-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408412381 359745511 /nfs/dbraw/zinc/74/55/11/359745511.db2.gz APWBHNONFQKNOH-KPXOXKRLSA-N 0 2 292.291 1.143 10 5 CDBELN CCO[C@@H]1CCC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000456981866 365099235 /nfs/dbraw/zinc/09/92/35/365099235.db2.gz QQXJFTTWJSYFGB-DGCLKSJQSA-N 0 2 294.307 1.988 10 5 CDBELN CC(C)c1csc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000047248928 412764273 /nfs/dbraw/zinc/76/42/73/412764273.db2.gz JOBAVFNAJHHINP-HTRCEHHLSA-N 0 2 255.299 1.870 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCC(=O)CC1 ZINC000330635113 203062195 /nfs/dbraw/zinc/06/21/95/203062195.db2.gz MDFXAFAGZADLMD-UHFFFAOYSA-N 0 2 278.264 1.998 10 5 CDBELN COCC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275174863 374691269 /nfs/dbraw/zinc/69/12/69/374691269.db2.gz XRMOSDDGDJADIA-UHFFFAOYSA-N 0 2 268.269 1.912 10 5 CDBELN CC(C)C[C@@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281051087 195083871 /nfs/dbraw/zinc/08/38/71/195083871.db2.gz QWJGZFUPKXSORP-VIFPVBQESA-N 0 2 282.296 1.437 10 5 CDBELN CC[C@H](CCO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354060578 156246818 /nfs/dbraw/zinc/24/68/18/156246818.db2.gz FYGXQOQZCURXSJ-MRVPVSSYSA-N 0 2 268.269 1.191 10 5 CDBELN COC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000336850157 423973231 /nfs/dbraw/zinc/97/32/31/423973231.db2.gz VTFKEEFBKKIGBJ-UHFFFAOYSA-N 0 2 294.307 1.989 10 5 CDBELN CC1(C)COC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000456551198 281291191 /nfs/dbraw/zinc/29/11/91/281291191.db2.gz UBKFWJCKMRZWOB-NSHDSACASA-N 0 2 280.280 1.455 10 5 CDBELN C[C@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000278601930 300352455 /nfs/dbraw/zinc/35/24/55/300352455.db2.gz QXQGZDVVXNGZLY-KWQFWETISA-N 0 2 280.280 1.455 10 5 CDBELN O=c1[nH]nc([C@@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)[nH]1 ZINC000340847648 527412824 /nfs/dbraw/zinc/41/28/24/527412824.db2.gz IQRNQBHSKLPHPO-MRVPVSSYSA-N 0 2 290.283 1.198 10 5 CDBELN O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000048918818 570299539 /nfs/dbraw/zinc/29/95/39/570299539.db2.gz LUEAZYMKRHNZEY-IUCAKERBSA-N 0 2 290.304 1.809 10 5 CDBELN Cc1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1-c1ccccc1 ZINC001544045779 967332780 /nfs/dbraw/zinc/33/27/80/967332780.db2.gz QKKOCFPMGUMHQN-GHMZBOCLSA-N 0 2 287.279 1.179 10 5 CDBELN O=C(Nc1ccnn1-c1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001535444723 969568175 /nfs/dbraw/zinc/56/81/75/969568175.db2.gz ARNJKABWRMSPSS-GHMZBOCLSA-N 0 2 290.254 1.615 10 5 CDBELN C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCNC(=O)C1 ZINC001466629063 969981363 /nfs/dbraw/zinc/98/13/63/969981363.db2.gz PFZVEWQMZZHXGU-CYBMUJFWSA-N 0 2 293.279 1.155 10 5 CDBELN C/C=C\[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001466629115 969981518 /nfs/dbraw/zinc/98/15/18/969981518.db2.gz RJJSKPLEXMNLAS-MXQLGCADSA-N 0 2 252.226 1.176 10 5 CDBELN O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590344947 342537405 /nfs/dbraw/zinc/53/74/05/342537405.db2.gz RGBIGWFLJSGQLO-YPMHNXCESA-N 0 2 299.286 1.981 10 5 CDBELN O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000618937135 349560313 /nfs/dbraw/zinc/56/03/13/349560313.db2.gz IFCOLNTXAXWWPQ-AOOOYVTPSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593288089 342784584 /nfs/dbraw/zinc/78/45/84/342784584.db2.gz FXTSAEKEYSUFBQ-ZJUUUORDSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593288089 342784586 /nfs/dbraw/zinc/78/45/86/342784586.db2.gz FXTSAEKEYSUFBQ-ZJUUUORDSA-N 0 2 294.307 1.986 10 5 CDBELN COCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000594396905 342895686 /nfs/dbraw/zinc/89/56/86/342895686.db2.gz HRGBWJOGYYINCR-UHFFFAOYSA-N 0 2 280.280 1.457 10 5 CDBELN CC12CC(C1)CN2C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598568455 343831687 /nfs/dbraw/zinc/83/16/87/343831687.db2.gz VGVUVVUXQYRURQ-UHFFFAOYSA-N 0 2 262.265 1.925 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598786160 343898406 /nfs/dbraw/zinc/89/84/06/343898406.db2.gz RWKKSVLNEWVVDD-NXEZZACHSA-N 0 2 294.307 1.391 10 5 CDBELN CCn1nc(C)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000293561938 362581043 /nfs/dbraw/zinc/58/10/43/362581043.db2.gz UVWNIXLPKHZZMH-UHFFFAOYSA-N 0 2 291.267 1.473 10 5 CDBELN O=c1[nH]nc(SCCOc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000194633725 362811779 /nfs/dbraw/zinc/81/17/79/362811779.db2.gz VVPNGHIQYHVITF-UHFFFAOYSA-N 0 2 282.281 1.590 10 5 CDBELN CC1(C)COCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000619871443 350867293 /nfs/dbraw/zinc/86/72/93/350867293.db2.gz IWEVECNQRWPWRW-UHFFFAOYSA-N 0 2 266.253 1.509 10 5 CDBELN CO[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000292573253 198337200 /nfs/dbraw/zinc/33/72/00/198337200.db2.gz OVGXWGZNVSQVGS-HTQZYQBOSA-N 0 2 268.269 1.454 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCC1=O ZINC000193944459 358333061 /nfs/dbraw/zinc/33/30/61/358333061.db2.gz MVQYGGOAKMWFGP-MRVPVSSYSA-N 0 2 278.264 1.352 10 5 CDBELN CC1(C)SC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338763930 359165750 /nfs/dbraw/zinc/16/57/50/359165750.db2.gz WBXMPQVMQZUVAK-JTQLQIEISA-N 0 2 282.321 1.924 10 5 CDBELN O=C(Nc1ccc2nncn2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354542227 359507004 /nfs/dbraw/zinc/50/70/04/359507004.db2.gz PPEXKGDUQKGHGI-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN CS[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166163132 359721536 /nfs/dbraw/zinc/72/15/36/359721536.db2.gz FPFATSHVNHHVCQ-LURJTMIESA-N 0 2 256.283 1.990 10 5 CDBELN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1O ZINC000182122323 189314601 /nfs/dbraw/zinc/31/46/01/189314601.db2.gz UJOJCSHAWNHEKI-BXKDBHETSA-N 0 2 294.307 1.581 10 5 CDBELN CC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](C)O ZINC000456224827 364039552 /nfs/dbraw/zinc/03/95/52/364039552.db2.gz IZFXKEJQZZIVCV-CBAPKCEASA-N 0 2 268.269 1.190 10 5 CDBELN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1 ZINC000272475781 367739873 /nfs/dbraw/zinc/73/98/73/367739873.db2.gz ZYZPYGJTSBJJPV-VIFPVBQESA-N 0 2 266.253 1.161 10 5 CDBELN CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330750807 203188855 /nfs/dbraw/zinc/18/88/55/203188855.db2.gz BEOABQKQPXCGFP-ZANVPECISA-N 0 2 294.307 1.533 10 5 CDBELN O=C(N[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000298382472 373516562 /nfs/dbraw/zinc/51/65/62/373516562.db2.gz PTAQZTPMUDNLDQ-KOLCDFICSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(N[C@@H]1CCCC[C@H]1O)c1cccc(O)c1[N+](=O)[O-] ZINC000281324365 375046621 /nfs/dbraw/zinc/04/66/21/375046621.db2.gz SXGCYGXYTFHEOS-NXEZZACHSA-N 0 2 280.280 1.334 10 5 CDBELN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](C)CO ZINC000294090510 375671329 /nfs/dbraw/zinc/67/13/29/375671329.db2.gz XNGRYFYVUXLHGQ-QMMMGPOBSA-N 0 2 268.269 1.143 10 5 CDBELN Cn1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1=O ZINC000356323554 375833947 /nfs/dbraw/zinc/83/39/47/375833947.db2.gz QZOQRXOGRCWZJO-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN O=C(NC[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436618916 249436380 /nfs/dbraw/zinc/43/63/80/249436380.db2.gz NACQUFZEPGJBEZ-VIFPVBQESA-N 0 2 280.280 1.049 10 5 CDBELN O=C(NC1CC1)c1ccsc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000069888826 379043349 /nfs/dbraw/zinc/04/33/49/379043349.db2.gz UXVLDPAGMUVDNV-BDAKNGLRSA-N 0 2 295.320 1.244 10 5 CDBELN O=C(NC[C@@H]1CCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280883995 195014834 /nfs/dbraw/zinc/01/48/34/195014834.db2.gz YZJGVTGAFVKLMD-QMMMGPOBSA-N 0 2 266.253 1.067 10 5 CDBELN CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281203759 195148302 /nfs/dbraw/zinc/14/83/02/195148302.db2.gz LCYNYRNBXQXWIJ-VIFPVBQESA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](CCCO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281247787 195165881 /nfs/dbraw/zinc/16/58/81/195165881.db2.gz OBROHTWYJWVHSB-QMMMGPOBSA-N 0 2 268.269 1.191 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](CF)C1 ZINC000413855971 391270524 /nfs/dbraw/zinc/27/05/24/391270524.db2.gz BHDBMXLITLSPLJ-QMMMGPOBSA-N 0 2 284.243 1.111 10 5 CDBELN O=C(NCCOCC1CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000574043327 391717561 /nfs/dbraw/zinc/71/75/61/391717561.db2.gz WHHXAJCIBKVOQX-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN COCCOCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000229977161 140204349 /nfs/dbraw/zinc/20/43/49/140204349.db2.gz WOOIWVGIVQXIBT-UHFFFAOYSA-N 0 2 298.295 1.083 10 5 CDBELN C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000576129528 317082832 /nfs/dbraw/zinc/08/28/32/317082832.db2.gz BTXMTXUJXUOYRT-ILWJIGKKSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000217316600 329434566 /nfs/dbraw/zinc/43/45/66/329434566.db2.gz RVFGRYQWBDNCMD-SSDOTTSWSA-N 0 2 276.252 1.515 10 5 CDBELN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000412718035 535866005 /nfs/dbraw/zinc/86/60/05/535866005.db2.gz MDKFGYJERIJOKI-WCQYABFASA-N 0 2 296.323 1.826 10 5 CDBELN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000928538586 619315040 /nfs/dbraw/zinc/31/50/40/619315040.db2.gz LLXKCZZBFWSRKV-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN O=C(Nc1ccnc(CO)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000807169631 684533985 /nfs/dbraw/zinc/53/39/85/684533985.db2.gz HINFNCBZGXJZMF-UHFFFAOYSA-N 0 2 289.247 1.440 10 5 CDBELN Cn1cnc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001637881422 1166794655 /nfs/dbraw/zinc/79/46/55/1166794655.db2.gz ISARTSBUMRGSRO-GORDUTHDSA-N 0 2 288.263 1.686 10 5 CDBELN Cn1cc(C=O)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881875 1166796375 /nfs/dbraw/zinc/79/63/75/1166796375.db2.gz WRQYIZJOUUROLY-UHFFFAOYSA-N 0 2 289.247 1.704 10 5 CDBELN Cn1c[nH+]c(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001570166271 1170098210 /nfs/dbraw/zinc/09/82/10/1170098210.db2.gz DYTUVWCUXPUBJM-UHFFFAOYSA-N 0 2 290.279 1.006 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc2[nH]cnc21 ZINC001556080459 964993629 /nfs/dbraw/zinc/99/36/29/964993629.db2.gz GNZKCGVDCTUVGY-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600444675 342209531 /nfs/dbraw/zinc/20/95/31/342209531.db2.gz XLDMQJXMCOCQDH-NMSKTSORSA-N 0 2 294.307 1.842 10 5 CDBELN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000600519196 342229808 /nfs/dbraw/zinc/22/98/08/342229808.db2.gz BNTZRMWXHLSYNH-NOZJJQNGSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@@H]1C[C@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600770756 342248752 /nfs/dbraw/zinc/24/87/52/342248752.db2.gz BOQKAAIMRBEUHZ-NXEZZACHSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000597491294 343556844 /nfs/dbraw/zinc/55/68/44/343556844.db2.gz IVYGWNIHCWFSRL-VROVMSAKSA-N 0 2 264.237 1.131 10 5 CDBELN COC[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)OC ZINC000597887696 343658131 /nfs/dbraw/zinc/65/81/31/343658131.db2.gz LLEZCXNBFMQWTQ-JTQLQIEISA-N 0 2 298.295 1.082 10 5 CDBELN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000598294696 343757720 /nfs/dbraw/zinc/75/77/20/343757720.db2.gz GUWMUNIZPZDTEG-GHMZBOCLSA-N 0 2 292.291 1.334 10 5 CDBELN CN(CC(C)(C)CO)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000296261314 529848108 /nfs/dbraw/zinc/84/81/08/529848108.db2.gz PFCDYFXIDINAMG-UHFFFAOYSA-N 0 2 282.296 1.391 10 5 CDBELN C[C@@H]1C[C@H](C)N1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000557032131 290323813 /nfs/dbraw/zinc/32/38/13/290323813.db2.gz ZQKCWLWQNDKCBY-OCAPTIKFSA-N 0 2 250.254 1.923 10 5 CDBELN Nc1cc(O)cc(I)c1[N+](=O)[O-] ZINC000575727825 374141569 /nfs/dbraw/zinc/14/15/69/374141569.db2.gz GUVYKRXLPRLTCB-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN CC[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(=O)OC ZINC000276819952 374750262 /nfs/dbraw/zinc/75/02/62/374750262.db2.gz ACZXNBHNMNFOKM-MRVPVSSYSA-N 0 2 282.252 1.438 10 5 CDBELN O=C(Nc1ccc2n[nH]nc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353611614 375632715 /nfs/dbraw/zinc/63/27/15/375632715.db2.gz ZHZQWYSOARQYSJ-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN Cc1nnc(N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000427742743 247185601 /nfs/dbraw/zinc/18/56/01/247185601.db2.gz QEQBWBJDMXMOMV-UHFFFAOYSA-N 0 2 294.292 1.737 10 5 CDBELN C[C@H](CCCO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281247784 195166429 /nfs/dbraw/zinc/16/64/29/195166429.db2.gz OBROHTWYJWVHSB-MRVPVSSYSA-N 0 2 268.269 1.191 10 5 CDBELN O=C(Nc1nc(C2CC2)cs1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000044487552 390919616 /nfs/dbraw/zinc/91/96/16/390919616.db2.gz VOMZNOZRDNTUPM-POYBYMJQSA-N 0 2 253.283 1.624 10 5 CDBELN CC[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000421986149 392949481 /nfs/dbraw/zinc/94/94/81/392949481.db2.gz KARKAOVHWSUDJS-KOLCDFICSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000229720583 140203390 /nfs/dbraw/zinc/20/33/90/140203390.db2.gz AXYIUJMVPJAAOW-SSDOTTSWSA-N 0 2 276.252 1.515 10 5 CDBELN COc1ncccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343070924 152021043 /nfs/dbraw/zinc/02/10/43/152021043.db2.gz JTYNPYOFSNAVRR-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN O=C(Nc1ncccc1O)c1cccc(O)c1[N+](=O)[O-] ZINC000343845146 152323497 /nfs/dbraw/zinc/32/34/97/152323497.db2.gz AOUMENWVCAIHAW-UHFFFAOYSA-N 0 2 275.220 1.653 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ncon1 ZINC000346858704 153329983 /nfs/dbraw/zinc/32/99/83/153329983.db2.gz YHZCCKWZQUDRTM-ZCFIWIBFSA-N 0 2 278.224 1.174 10 5 CDBELN CO[C@H]1C[C@@H](N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000561061264 293046417 /nfs/dbraw/zinc/04/64/17/293046417.db2.gz ZGTWXCJLFDDMQP-WAAGHKOSSA-N 0 2 280.280 1.550 10 5 CDBELN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCC1=O ZINC000193944477 300188829 /nfs/dbraw/zinc/18/88/29/300188829.db2.gz MVQYGGOAKMWFGP-QMMMGPOBSA-N 0 2 278.264 1.352 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc[nH]c1=O ZINC000182087964 323262031 /nfs/dbraw/zinc/26/20/31/323262031.db2.gz AMOZQQKMGMERJE-UHFFFAOYSA-N 0 2 275.220 1.653 10 5 CDBELN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000928538587 619314900 /nfs/dbraw/zinc/31/49/00/619314900.db2.gz LLXKCZZBFWSRKV-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN Cn1c(C=O)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001633349631 1166416327 /nfs/dbraw/zinc/41/63/27/1166416327.db2.gz NYDYCQMPHURQLN-UHFFFAOYSA-N 0 2 289.247 1.704 10 5 CDBELN Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH+]c1C ZINC001635375457 1166582549 /nfs/dbraw/zinc/58/25/49/1166582549.db2.gz FRTZXIPWHSSFTH-UHFFFAOYSA-N 0 2 290.279 1.570 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](CF)C1 ZINC000711468434 723344308 /nfs/dbraw/zinc/34/43/08/723344308.db2.gz DLMMYWAOWZTADR-QMMMGPOBSA-N 0 2 268.244 1.732 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(CO)on1 ZINC001138013841 936454580 /nfs/dbraw/zinc/45/45/80/936454580.db2.gz WRDSVFQKSIIOFT-UHFFFAOYSA-N 0 2 279.208 1.033 10 5 CDBELN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccn1 ZINC001298200490 955130149 /nfs/dbraw/zinc/13/01/49/955130149.db2.gz KRHUQUKJBRHBAD-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN Cn1cc([N+](=O)[O-])c(Nc2ccn(CC(F)F)n2)n1 ZINC001559126334 965405121 /nfs/dbraw/zinc/40/51/21/965405121.db2.gz DMMCADSLCYIZPD-UHFFFAOYSA-N 0 2 272.215 1.534 10 5 CDBELN NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001352453721 967290302 /nfs/dbraw/zinc/29/03/02/967290302.db2.gz MOBDAHFGEQNHJZ-HTQZYQBOSA-N 0 2 289.247 1.135 10 5 CDBELN CC1(C)OC[C@H]2C[C@]21NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600261270 341991315 /nfs/dbraw/zinc/99/13/15/341991315.db2.gz ZNUWFIHWOPXEET-CLAHSXSESA-N 0 2 292.291 1.598 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600439496 342208040 /nfs/dbraw/zinc/20/80/40/342208040.db2.gz HTKKXVOYVPRWCV-VXFNFUGZSA-N 0 2 294.307 1.842 10 5 CDBELN C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CO1 ZINC000401492531 349717235 /nfs/dbraw/zinc/71/72/35/349717235.db2.gz SLEZIJJMTUGCBZ-JGVFFNPUSA-N 0 2 266.253 1.208 10 5 CDBELN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OC ZINC000436889105 362085897 /nfs/dbraw/zinc/08/58/97/362085897.db2.gz BBSTUDKIWPSBMR-SNVBAGLBSA-N 0 2 296.279 1.372 10 5 CDBELN O=C(NCC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000436901772 362106702 /nfs/dbraw/zinc/10/67/02/362106702.db2.gz ICYNEMWIMAWVPS-SECBINFHSA-N 0 2 280.280 1.457 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](O)C1CCOCC1 ZINC000536229362 282305653 /nfs/dbraw/zinc/30/56/53/282305653.db2.gz XKVNGVHXEVQGBO-LBPRGKRZSA-N 0 2 296.279 1.026 10 5 CDBELN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ncccc1O ZINC000033816979 304004063 /nfs/dbraw/zinc/00/40/63/304004063.db2.gz WOEFWUKYKLSVLE-UHFFFAOYSA-N 0 2 259.221 1.948 10 5 CDBELN O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cc([N+](=O)[O-])ccc1O ZINC000414026819 241031719 /nfs/dbraw/zinc/03/17/19/241031719.db2.gz CTAULJICMNVSSG-NXEZZACHSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@H](O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274749162 374681504 /nfs/dbraw/zinc/68/15/04/374681504.db2.gz FDBBMKLKKWCDTC-ZETCQYMHSA-N 0 2 268.269 1.190 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)C1CCC1 ZINC000450389829 251259471 /nfs/dbraw/zinc/25/94/71/251259471.db2.gz KGFFSSRAZHOTGX-LLVKDONJSA-N 0 2 266.253 1.400 10 5 CDBELN CCC(O)(CC)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280851013 195001925 /nfs/dbraw/zinc/00/19/25/195001925.db2.gz WAJRHTVQEQIWIU-UHFFFAOYSA-N 0 2 282.296 1.581 10 5 CDBELN C[C@@H]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000398089724 391639036 /nfs/dbraw/zinc/63/90/36/391639036.db2.gz WZBLHXZARVYGGQ-SCZZXKLOSA-N 0 2 280.280 1.598 10 5 CDBELN CC(=O)CN(CC(C)C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000421911912 392946000 /nfs/dbraw/zinc/94/60/00/392946000.db2.gz CWBZUOQHRSVENX-UHFFFAOYSA-N 0 2 294.307 1.988 10 5 CDBELN Cc1cc(Sc2n[nH]c(=O)[nH]2)ncc1[N+](=O)[O-] ZINC000192749549 270298466 /nfs/dbraw/zinc/29/84/66/270298466.db2.gz PWMUJPPPLKCMER-UHFFFAOYSA-N 0 2 253.243 1.273 10 5 CDBELN Cc1n[nH]cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000043570338 175068130 /nfs/dbraw/zinc/06/81/30/175068130.db2.gz XOFFWBRKBTTXJG-UHFFFAOYSA-N 0 2 296.308 1.736 10 5 CDBELN Cc1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC000045784123 423850759 /nfs/dbraw/zinc/85/07/59/423850759.db2.gz ACPGHGZAXFJKLK-DTWKUNHWSA-N 0 2 266.301 1.550 10 5 CDBELN C[C@@H]1C[C@H](CO)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000398700084 270358527 /nfs/dbraw/zinc/35/85/27/270358527.db2.gz LKXYAMADHGSTEE-ZJUUUORDSA-N 0 2 294.307 1.391 10 5 CDBELN CC1(C)CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)O1 ZINC000187344206 281129957 /nfs/dbraw/zinc/12/99/57/281129957.db2.gz JIWUETWAZKNYOB-SNVBAGLBSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280693762 300197949 /nfs/dbraw/zinc/19/79/49/300197949.db2.gz DUMYNXDUIKDRKK-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2c(F)cc(F)cc21 ZINC000844953660 695554955 /nfs/dbraw/zinc/55/49/55/695554955.db2.gz MLARRIFVKZIRCZ-VXNVDRBHSA-N 0 2 284.218 1.355 10 5 CDBELN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])no1 ZINC000235878573 695605864 /nfs/dbraw/zinc/60/58/64/695605864.db2.gz ZSERRDFEFCPIPU-UHFFFAOYSA-N 0 2 263.209 1.849 10 5 CDBELN CO[C@@H]1CC[C@H]1N(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000724131524 696038047 /nfs/dbraw/zinc/03/80/47/696038047.db2.gz YQMYRUDOSUQKDI-VXGBXAGGSA-N 0 2 280.280 1.550 10 5 CDBELN CC1=NO[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000854802038 696040473 /nfs/dbraw/zinc/04/04/73/696040473.db2.gz IIYRZBGTKNMBQK-SECBINFHSA-N 0 2 279.252 1.195 10 5 CDBELN Cc1n[nH]c(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001133906764 1163958752 /nfs/dbraw/zinc/95/87/52/1163958752.db2.gz ALTAKMAVHBGOBN-GHMZBOCLSA-N 0 2 287.279 1.764 10 5 CDBELN CSC1CC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000707307301 724486327 /nfs/dbraw/zinc/48/63/27/724486327.db2.gz VTPIQZFUQMWDMI-UHFFFAOYSA-N 0 2 282.321 1.924 10 5 CDBELN O=C(NOCC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000802767448 724591820 /nfs/dbraw/zinc/59/18/20/724591820.db2.gz PHOXDFMFWCVOES-UHFFFAOYSA-N 0 2 280.158 1.524 10 5 CDBELN O=C(Nc1cccc2n[nH]nc21)c1ccc([N+](=O)[O-])cc1O ZINC001449946378 967601755 /nfs/dbraw/zinc/60/17/55/967601755.db2.gz YLVWFSVKPRYALS-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN O=c1[nH]nc([C@H]2CCCN(c3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC000588045159 342491631 /nfs/dbraw/zinc/49/16/31/342491631.db2.gz XCFQZYMWPLJURQ-QMMMGPOBSA-N 0 2 290.283 1.198 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC(C2CC2)C1 ZINC000589990721 342518363 /nfs/dbraw/zinc/51/83/63/342518363.db2.gz RJXAJKZSLJCSQQ-UHFFFAOYSA-N 0 2 262.265 1.782 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](CCF)C1 ZINC000600493088 342227424 /nfs/dbraw/zinc/22/74/24/342227424.db2.gz FRXWWXXNEIHMMO-JTQLQIEISA-N 0 2 298.270 1.501 10 5 CDBELN COC1CC(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000597860429 343649340 /nfs/dbraw/zinc/64/93/40/343649340.db2.gz CDFGSTAYXURCPL-UHFFFAOYSA-N 0 2 294.307 1.845 10 5 CDBELN O=C(NC1CCC(CO)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000313953858 344909599 /nfs/dbraw/zinc/90/95/99/344909599.db2.gz IFCOLNTXAXWWPQ-UHFFFAOYSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(NC[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000086334179 179273289 /nfs/dbraw/zinc/27/32/89/179273289.db2.gz JXDIAJRLOSBVOZ-GXSJLCMTSA-N 0 2 280.280 1.191 10 5 CDBELN Cn1c[nH+]c(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000619573136 348652622 /nfs/dbraw/zinc/65/26/22/348652622.db2.gz UVFZVMUNCCPTLS-NSCUHMNNSA-N 0 2 274.236 1.592 10 5 CDBELN C[C@H](CC(C)(C)O)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000296730418 359394036 /nfs/dbraw/zinc/39/40/36/359394036.db2.gz AAZMJFPOONSOPI-MRVPVSSYSA-N 0 2 282.296 1.580 10 5 CDBELN CCn1ccnc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000382369181 359509688 /nfs/dbraw/zinc/50/96/88/359509688.db2.gz HYFOCEVPPHOWLH-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOCC2(CC2)C1 ZINC000408417026 359753527 /nfs/dbraw/zinc/75/35/27/359753527.db2.gz WPKBZKWRQLCDFV-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN CC(C)OC(=O)[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456623772 364724227 /nfs/dbraw/zinc/72/42/27/364724227.db2.gz ZHLFNGYLCHVZGN-QMMMGPOBSA-N 0 2 296.279 1.370 10 5 CDBELN C[C@H]1CCC[C@]1(O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000294018805 375632054 /nfs/dbraw/zinc/63/20/54/375632054.db2.gz DZHZOQMJHNBMLN-XPTSAGLGSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@@]1(O)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316646 390964138 /nfs/dbraw/zinc/96/41/38/390964138.db2.gz XUXWKGPPYJDWQM-CYBMUJFWSA-N 0 2 280.280 1.287 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000341166408 391197283 /nfs/dbraw/zinc/19/72/83/391197283.db2.gz RCVXZIFOIBIKJX-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN COCC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000313936580 149250122 /nfs/dbraw/zinc/25/01/22/149250122.db2.gz ZAKWPOWQASLOJX-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000314170676 149252725 /nfs/dbraw/zinc/25/27/25/149252725.db2.gz PXACNPVANPGBTQ-QMMMGPOBSA-N 0 2 290.279 1.525 10 5 CDBELN Cn1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1=O ZINC000343075213 152022706 /nfs/dbraw/zinc/02/27/06/152022706.db2.gz ZAOLSRBTOGTPBC-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN C[C@@H]1CSC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000342301365 297191533 /nfs/dbraw/zinc/19/15/33/297191533.db2.gz COQFZAOEYXNPMC-VXNVDRBHSA-N 0 2 282.321 1.782 10 5 CDBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCS1 ZINC000280915045 300197754 /nfs/dbraw/zinc/19/77/54/300197754.db2.gz IWIXAUSPJLSJSY-QMMMGPOBSA-N 0 2 282.321 1.878 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1Cc2cccnc2C1 ZINC000569634786 316818413 /nfs/dbraw/zinc/81/84/13/316818413.db2.gz VCGPDAGRIIKYEF-UHFFFAOYSA-N 0 2 285.259 1.851 10 5 CDBELN COC[C@@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234699043 536505874 /nfs/dbraw/zinc/50/58/74/536505874.db2.gz ZXCVNCXHXFTTIY-QMMMGPOBSA-N 0 2 268.269 1.313 10 5 CDBELN Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774938887 575253233 /nfs/dbraw/zinc/25/32/33/575253233.db2.gz GZHOXSCCRDWCLA-UHFFFAOYSA-N 0 2 278.224 1.084 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000899379975 622226868 /nfs/dbraw/zinc/22/68/68/622226868.db2.gz AFGREFFXRVHARF-DTORHVGOSA-N 0 2 294.332 1.735 10 5 CDBELN COC1CCC(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CC1 ZINC000842497260 726016924 /nfs/dbraw/zinc/01/69/24/726016924.db2.gz HYGIKOLZAOXDPO-JPPWEJMLSA-N 0 2 281.312 1.950 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCNC(=O)CC1 ZINC000815876490 726308719 /nfs/dbraw/zinc/30/87/19/726308719.db2.gz CCLHINRRELDLSA-MRVPVSSYSA-N 0 2 293.279 1.155 10 5 CDBELN O=C(Nc1ccc(C2CCC2)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839780511 936925676 /nfs/dbraw/zinc/92/56/76/936925676.db2.gz UURYQPQZIAGHLQ-GHMZBOCLSA-N 0 2 261.281 1.953 10 5 CDBELN CC(C)COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001531467542 969276109 /nfs/dbraw/zinc/27/61/09/969276109.db2.gz DYIIEMLVDGTHKA-RKDXNWHRSA-N 0 2 280.284 1.115 10 5 CDBELN CC(C)c1nsc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC001534189464 969481948 /nfs/dbraw/zinc/48/19/48/969481948.db2.gz HYIJTZVKRBTMMD-UHFFFAOYSA-N 0 2 296.312 1.556 10 5 CDBELN CC(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001461572308 969631802 /nfs/dbraw/zinc/63/18/02/969631802.db2.gz WRZRJXUEXQOYQV-NXEZZACHSA-N 0 2 294.311 1.505 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(C(F)F)C1 ZINC000586798645 342469884 /nfs/dbraw/zinc/46/98/84/342469884.db2.gz YQKRRFCNILGOQL-UHFFFAOYSA-N 0 2 272.207 1.638 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2(C1)CCCO2 ZINC000600313954 342086407 /nfs/dbraw/zinc/08/64/07/342086407.db2.gz GGGWJKQCQHPPBT-UHFFFAOYSA-N 0 2 278.264 1.305 10 5 CDBELN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593288425 342784474 /nfs/dbraw/zinc/78/44/74/342784474.db2.gz JSLHJHGOLSXDIX-MWLCHTKSSA-N 0 2 294.307 1.843 10 5 CDBELN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593288425 342784476 /nfs/dbraw/zinc/78/44/76/342784476.db2.gz JSLHJHGOLSXDIX-MWLCHTKSSA-N 0 2 294.307 1.843 10 5 CDBELN CC1(F)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000619419923 349695345 /nfs/dbraw/zinc/69/53/45/349695345.db2.gz QVBPUSALRSDHMF-UHFFFAOYSA-N 0 2 254.217 1.484 10 5 CDBELN O=C(NCC1CSC1)c1cc([N+](=O)[O-])ccc1O ZINC000597747855 343628107 /nfs/dbraw/zinc/62/81/07/343628107.db2.gz ZIIXUKJJESJJRY-UHFFFAOYSA-N 0 2 268.294 1.393 10 5 CDBELN C[C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)O1 ZINC000598211422 343733661 /nfs/dbraw/zinc/73/36/61/343733661.db2.gz FGXVPMIYFKPGPQ-GXSJLCMTSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H]2COC[C@H]2C1 ZINC000598395624 343784927 /nfs/dbraw/zinc/78/49/27/343784927.db2.gz QBLXNCZTWAYGST-VHSXEESVSA-N 0 2 292.291 1.409 10 5 CDBELN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCOC1 ZINC000292712871 198385730 /nfs/dbraw/zinc/38/57/30/198385730.db2.gz FIVIRELURHTOFL-NSHDSACASA-N 0 2 294.307 1.940 10 5 CDBELN CN(CC1(CO)CC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189156790 357976557 /nfs/dbraw/zinc/97/65/57/357976557.db2.gz VAGGTLAHCUFDGK-UHFFFAOYSA-N 0 2 280.280 1.145 10 5 CDBELN O=C(NCC[C@@H]1CCCCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000280847852 358677846 /nfs/dbraw/zinc/67/78/46/358677846.db2.gz AEACLRRNBCBKQF-JTQLQIEISA-N 0 2 294.307 1.989 10 5 CDBELN O=C(NC1(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436518392 358757179 /nfs/dbraw/zinc/75/71/79/358757179.db2.gz RBZFNZCOFDDROV-UHFFFAOYSA-N 0 2 272.207 1.828 10 5 CDBELN C[C@H](O)C[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354611437 359862067 /nfs/dbraw/zinc/86/20/67/359862067.db2.gz INZUEZYYZJHBPD-YUMQZZPRSA-N 0 2 268.269 1.190 10 5 CDBELN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CS1 ZINC000413957145 364757995 /nfs/dbraw/zinc/75/79/95/364757995.db2.gz NFMHKSZIBOOYDM-YUMQZZPRSA-N 0 2 282.321 1.924 10 5 CDBELN COCC[C@@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000412479573 240234231 /nfs/dbraw/zinc/23/42/31/240234231.db2.gz CPZNUTYHLIAHGS-SECBINFHSA-N 0 2 282.296 1.703 10 5 CDBELN Cc1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000272390105 365216026 /nfs/dbraw/zinc/21/60/26/365216026.db2.gz LCIXHCGWGUMSBV-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN CC(C)(O)[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000330673642 203102315 /nfs/dbraw/zinc/10/23/15/203102315.db2.gz PPKBTIJIOZSADG-NSHDSACASA-N 0 2 294.307 1.676 10 5 CDBELN COCCC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000356557004 372954403 /nfs/dbraw/zinc/95/44/03/372954403.db2.gz APSSUYUURKVZGT-UHFFFAOYSA-N 0 2 294.307 1.799 10 5 CDBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000388186496 374108274 /nfs/dbraw/zinc/10/82/74/374108274.db2.gz OFJLUQUZRSDXJK-NSHDSACASA-N 0 2 280.280 1.143 10 5 CDBELN C[N@@H+]1CCO[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211509076 375677896 /nfs/dbraw/zinc/67/78/96/375677896.db2.gz CAVOZVFTPKGWLC-SNVBAGLBSA-N 0 2 295.295 1.036 10 5 CDBELN C[N@H+]1CCO[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211509076 375677903 /nfs/dbraw/zinc/67/79/03/375677903.db2.gz CAVOZVFTPKGWLC-SNVBAGLBSA-N 0 2 295.295 1.036 10 5 CDBELN CN(Cc1ccon1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353226238 375834164 /nfs/dbraw/zinc/83/41/64/375834164.db2.gz CHXVNKNCNSLLAO-UHFFFAOYSA-N 0 2 277.236 1.561 10 5 CDBELN CC(C)(C)C[C@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281068230 195090646 /nfs/dbraw/zinc/09/06/46/195090646.db2.gz ZKYJVAGWMVBHKG-VIFPVBQESA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](CCCO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354914561 391925089 /nfs/dbraw/zinc/92/50/89/391925089.db2.gz XNRGNQJMHNXPJH-QMMMGPOBSA-N 0 2 268.269 1.191 10 5 CDBELN C[C@H](CO)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346818061 153311058 /nfs/dbraw/zinc/31/10/58/153311058.db2.gz CPUAOAMASJAZBL-SFYZADRCSA-N 0 2 268.269 1.047 10 5 CDBELN C[C@H]1COCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000278770322 300352138 /nfs/dbraw/zinc/35/21/38/300352138.db2.gz XTYDDDGUJLGWFC-KWQFWETISA-N 0 2 280.280 1.455 10 5 CDBELN Cc1cc(=O)[nH]cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436991909 301376998 /nfs/dbraw/zinc/37/69/98/301376998.db2.gz VDZNICORUXCLLL-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN CCC[C@H](C)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000569584579 316808561 /nfs/dbraw/zinc/80/85/61/316808561.db2.gz XQNXVTYIDVHOLG-JOYOIKCWSA-N 0 2 296.323 1.827 10 5 CDBELN CO[C@@H]([C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000388279055 323785587 /nfs/dbraw/zinc/78/55/87/323785587.db2.gz KFGZLWNGKDKSIJ-OQPBUACISA-N 0 2 294.307 1.844 10 5 CDBELN CC(C)Oc1nc(Sc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000579495018 324206890 /nfs/dbraw/zinc/20/68/90/324206890.db2.gz KBVSQZYNEAGNIP-UHFFFAOYSA-N 0 2 297.296 1.752 10 5 CDBELN Cc1cnn(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001640337080 1167014187 /nfs/dbraw/zinc/01/41/87/1167014187.db2.gz GGLTZFVYUCBMFF-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN Cn1cc([N+](=O)[O-])c(Nc2cc(C3CC3)n(C)n2)n1 ZINC001651114470 1171290616 /nfs/dbraw/zinc/29/06/16/1171290616.db2.gz QTHIDAANQQRQBC-UHFFFAOYSA-N 0 2 262.273 1.683 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CSC(=O)N1 ZINC000221014178 729025206 /nfs/dbraw/zinc/02/52/06/729025206.db2.gz HHNIZHSSMQJDPX-SSDOTTSWSA-N 0 2 283.265 1.064 10 5 CDBELN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C2CCOCC2)n1 ZINC001127352568 914020290 /nfs/dbraw/zinc/02/02/90/914020290.db2.gz ONRVAELECFSOOK-GHMZBOCLSA-N 0 2 294.311 1.147 10 5 CDBELN O=C(Nc1ccc(-c2ccccc2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001435385354 962052184 /nfs/dbraw/zinc/05/21/84/962052184.db2.gz LAXXFZCMJQMELZ-ZYHUDNBSSA-N 0 2 284.275 1.747 10 5 CDBELN Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1-c1cccnc1 ZINC001558282692 965256478 /nfs/dbraw/zinc/25/64/78/965256478.db2.gz PLSNNQFOWUOQRH-NXEZZACHSA-N 0 2 287.279 1.384 10 5 CDBELN C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[NH2+]CCO1 ZINC000126779035 342204885 /nfs/dbraw/zinc/20/48/85/342204885.db2.gz ILWRVYYMSJHUHY-ZDUSSCGKSA-N 0 2 279.340 1.058 10 5 CDBELN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](C2CC2)CC1 ZINC000126584732 187249746 /nfs/dbraw/zinc/24/97/46/187249746.db2.gz AXTRFCBUARTUOK-UHFFFAOYSA-N 0 2 291.307 1.221 10 5 CDBELN COC1CC(CCNc2ncc([N+](=O)[O-])s2)C1 ZINC000596309569 343294084 /nfs/dbraw/zinc/29/40/84/343294084.db2.gz VRYJKXDEYAWNLC-UHFFFAOYSA-N 0 2 257.315 1.700 10 5 CDBELN CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1 ZINC000597443863 343538791 /nfs/dbraw/zinc/53/87/91/343538791.db2.gz YQULDRQTKCHGEV-QPUJVOFHSA-N 0 2 296.279 1.290 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCCN1 ZINC000597641430 343589915 /nfs/dbraw/zinc/58/99/15/343589915.db2.gz DITUEJJOMNJELJ-UHFFFAOYSA-N 0 2 251.242 1.041 10 5 CDBELN C[C@]12COC[C@H]1CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C2 ZINC000598226122 343738130 /nfs/dbraw/zinc/73/81/30/343738130.db2.gz NGOVMMMSCDRCNC-OTYXRUKQSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1O ZINC000598308051 343762767 /nfs/dbraw/zinc/76/27/67/343762767.db2.gz LINJTJMARZBCAP-NWDGAFQWSA-N 0 2 292.291 1.334 10 5 CDBELN C[C@@H](CC(C)(C)O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000456094714 363242337 /nfs/dbraw/zinc/24/23/37/363242337.db2.gz KTRTVGLXCAISQE-QMMMGPOBSA-N 0 2 282.296 1.580 10 5 CDBELN COCC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000361653840 358403183 /nfs/dbraw/zinc/40/31/83/358403183.db2.gz JGAIMYAVBSUHNJ-UHFFFAOYSA-N 0 2 266.253 1.666 10 5 CDBELN C[C@@H]1[C@H](O)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000385269409 370411905 /nfs/dbraw/zinc/41/19/05/370411905.db2.gz ZSAPGDONRQSSDE-LDYMZIIASA-N 0 2 280.280 1.286 10 5 CDBELN COC(=O)c1c(Br)ccc(O)c1[N+](=O)[O-] ZINC000575713039 373975134 /nfs/dbraw/zinc/97/51/34/373975134.db2.gz SOKBCUBYARNLOO-UHFFFAOYSA-N 0 2 276.042 1.850 10 5 CDBELN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n[nH]1 ZINC000162582883 375387271 /nfs/dbraw/zinc/38/72/71/375387271.db2.gz XYGMROZIEDTBJN-UHFFFAOYSA-N 0 2 276.252 1.838 10 5 CDBELN O=C(Nc1cnns1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316745 140162653 /nfs/dbraw/zinc/16/26/53/140162653.db2.gz MKCSRRATGPQJAC-UHFFFAOYSA-N 0 2 266.238 1.404 10 5 CDBELN O=C(NCc1ccno1)c1cc(O)ccc1[N+](=O)[O-] ZINC000231899453 140219480 /nfs/dbraw/zinc/21/94/80/140219480.db2.gz OMAZBWKIFQVDLD-UHFFFAOYSA-N 0 2 263.209 1.218 10 5 CDBELN CCC(CC)[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354056395 156243362 /nfs/dbraw/zinc/24/33/62/156243362.db2.gz HOTDBWWHDJBULB-ZDUSSCGKSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(N[C@H]1C[C@@H]1C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355647448 157164657 /nfs/dbraw/zinc/16/46/57/157164657.db2.gz VYXINLQWRMGGOP-KOLCDFICSA-N 0 2 262.265 1.829 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@]2(CCOC2)C1 ZINC000370536079 304502367 /nfs/dbraw/zinc/50/23/67/304502367.db2.gz OYUKRIHETWXNEF-CQSZACIVSA-N 0 2 292.291 1.553 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn2cccnc2n1 ZINC000135340878 279812332 /nfs/dbraw/zinc/81/23/32/279812332.db2.gz QPZPTYZGSMNCOQ-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN CC[C@H]1[C@H](CO)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000331293769 288378202 /nfs/dbraw/zinc/37/82/02/288378202.db2.gz CBLKXMQZLBZQQC-ONGXEEELSA-N 0 2 294.307 1.533 10 5 CDBELN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1C ZINC000155954481 289254819 /nfs/dbraw/zinc/25/48/19/289254819.db2.gz LTWMLIFUCFVUSZ-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN CC1(C)CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000571175428 294383545 /nfs/dbraw/zinc/38/35/45/294383545.db2.gz DIQHMJANOHFNCM-UHFFFAOYSA-N 0 2 279.296 1.581 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nn(C)cc1O ZINC001640025293 1166987770 /nfs/dbraw/zinc/98/77/70/1166987770.db2.gz IFYKRCIMNFOLCZ-QMMMGPOBSA-N 0 2 290.279 1.525 10 5 CDBELN Cc1conc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001645332888 1167392949 /nfs/dbraw/zinc/39/29/49/1167392949.db2.gz CKUUTMWCQLPKKD-UHFFFAOYSA-N 0 2 277.236 1.527 10 5 CDBELN Cc1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH+]c1C ZINC001566257684 1168255229 /nfs/dbraw/zinc/25/52/29/1168255229.db2.gz DFZDGTQEMZHISJ-UHFFFAOYSA-N 0 2 290.279 1.570 10 5 CDBELN Cn1ncc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000828248638 730852793 /nfs/dbraw/zinc/85/27/93/730852793.db2.gz LSZJQDGSCCHBAU-UHFFFAOYSA-N 0 2 291.267 1.000 10 5 CDBELN O=C(NO[C@H]1CCCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000788295259 731881217 /nfs/dbraw/zinc/88/12/17/731881217.db2.gz CDIZQKNOBFQRDT-NSHDSACASA-N 0 2 282.252 1.488 10 5 CDBELN O=C(NC1(c2ncon2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC001456377184 968954000 /nfs/dbraw/zinc/95/40/00/968954000.db2.gz CZDYPJBERFTMPJ-UHFFFAOYSA-N 0 2 290.235 1.103 10 5 CDBELN CONC(=O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC001458664745 969333193 /nfs/dbraw/zinc/33/31/93/969333193.db2.gz KAGSINVETFQJQU-UHFFFAOYSA-N 0 2 276.252 1.233 10 5 CDBELN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])no1 ZINC000235840609 342051892 /nfs/dbraw/zinc/05/18/92/342051892.db2.gz HSWHFIKGBBZMBW-UHFFFAOYSA-N 0 2 277.236 1.527 10 5 CDBELN CCCS(=O)(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000070237909 361866119 /nfs/dbraw/zinc/86/61/19/361866119.db2.gz GNHBLSJOIVXQJX-UHFFFAOYSA-N 0 2 262.262 1.886 10 5 CDBELN COCC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCCC1 ZINC000597881784 343656781 /nfs/dbraw/zinc/65/67/81/343656781.db2.gz HDKQCTQMTHXSQE-UHFFFAOYSA-N 0 2 294.307 1.989 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]2COC[C@@H]2C1 ZINC000598392932 343784221 /nfs/dbraw/zinc/78/42/21/343784221.db2.gz IQXRZQVHCMRNPX-UWVGGRQHSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000598395317 343784869 /nfs/dbraw/zinc/78/48/69/343784869.db2.gz PGUVXVKBGYAOJF-MNOVXSKESA-N 0 2 292.291 1.409 10 5 CDBELN Cc1[nH]nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000436701803 359195110 /nfs/dbraw/zinc/19/51/10/359195110.db2.gz FSAQDYWHOLOLRQ-UHFFFAOYSA-N 0 2 276.252 1.893 10 5 CDBELN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CS1 ZINC000413957144 364758051 /nfs/dbraw/zinc/75/80/51/364758051.db2.gz NFMHKSZIBOOYDM-SFYZADRCSA-N 0 2 282.321 1.924 10 5 CDBELN C[C@@H](O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274749160 374681943 /nfs/dbraw/zinc/68/19/43/374681943.db2.gz FDBBMKLKKWCDTC-SSDOTTSWSA-N 0 2 268.269 1.190 10 5 CDBELN O=C(COC(F)F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000354612291 375734059 /nfs/dbraw/zinc/73/40/59/375734059.db2.gz KWWRGAPQYMMHKB-UHFFFAOYSA-N 0 2 262.168 1.478 10 5 CDBELN C[C@@H](F)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356655425 375856231 /nfs/dbraw/zinc/85/62/31/375856231.db2.gz DDDHOFZJHAMZFM-SSDOTTSWSA-N 0 2 256.233 1.778 10 5 CDBELN COCC[C@@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000413876583 391273434 /nfs/dbraw/zinc/27/34/34/391273434.db2.gz BCUYJWZAAPLYKZ-SECBINFHSA-N 0 2 282.296 1.703 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)[C@H](C)O1 ZINC000438408743 392071093 /nfs/dbraw/zinc/07/10/93/392071093.db2.gz DVJSCWFLOZPWAR-UTLUCORTSA-N 0 2 294.307 1.938 10 5 CDBELN Cn1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000236104842 140238869 /nfs/dbraw/zinc/23/88/69/140238869.db2.gz YTHQRODFKMWKLM-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN O=C(NCC[C@H]1CCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561019 140240211 /nfs/dbraw/zinc/24/02/11/140240211.db2.gz WNIQYCQADLVBOK-VIFPVBQESA-N 0 2 280.280 1.457 10 5 CDBELN C[C@H]1CCC[C@]1(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000359832756 158392910 /nfs/dbraw/zinc/39/29/10/158392910.db2.gz MDVNRUZOVFUZNK-XPTSAGLGSA-N 0 2 294.307 1.581 10 5 CDBELN CC[C@H](C(=O)[O-])[N@H+](C)Cc1nc2ccccn2c1[N+](=O)[O-] ZINC000044620469 175218765 /nfs/dbraw/zinc/21/87/65/175218765.db2.gz MWWVOSZLUVFMCZ-SNVBAGLBSA-N 0 2 292.295 1.538 10 5 CDBELN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1nc2ccccn2c1[N+](=O)[O-] ZINC000044620469 175218767 /nfs/dbraw/zinc/21/87/67/175218767.db2.gz MWWVOSZLUVFMCZ-SNVBAGLBSA-N 0 2 292.295 1.538 10 5 CDBELN Cc1[nH]c(=O)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000071539907 176195458 /nfs/dbraw/zinc/19/54/58/176195458.db2.gz YNHZIRZXWDVDCT-UHFFFAOYSA-N 0 2 295.276 1.611 10 5 CDBELN Cc1ccnc(Sc2n[nH]c(=O)[nH]2)c1[N+](=O)[O-] ZINC000192750755 227281075 /nfs/dbraw/zinc/28/10/75/227281075.db2.gz KSXCKOPVEKFCAE-UHFFFAOYSA-N 0 2 253.243 1.273 10 5 CDBELN COC(C)(C)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000404379529 289445850 /nfs/dbraw/zinc/44/58/50/289445850.db2.gz RUIXKPUGVYMUDY-UHFFFAOYSA-N 0 2 282.296 1.797 10 5 CDBELN O=C(Nc1cnccc1CO)c1ccc([N+](=O)[O-])cc1O ZINC000185807118 534455935 /nfs/dbraw/zinc/45/59/35/534455935.db2.gz UETRLHFGVZPKPD-UHFFFAOYSA-N 0 2 289.247 1.440 10 5 CDBELN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NN1CCCC1=O ZINC000772534578 575719613 /nfs/dbraw/zinc/71/96/13/575719613.db2.gz BKSOQKXOQFOXPF-UHFFFAOYSA-N 0 2 297.698 1.824 10 5 CDBELN Cn1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1Cl ZINC001637881940 1166795457 /nfs/dbraw/zinc/79/54/57/1166795457.db2.gz ZHDRQLKJZGKRRB-UHFFFAOYSA-N 0 2 296.670 1.940 10 5 CDBELN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841046543 734507997 /nfs/dbraw/zinc/50/79/97/734507997.db2.gz GKLIOCATOMGLHK-NYRNMGCKSA-N 0 2 291.263 1.538 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715439360 909933216 /nfs/dbraw/zinc/93/32/16/909933216.db2.gz CYPIYWMPDFJBFT-DTORHVGOSA-N 0 2 284.218 1.638 10 5 CDBELN Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001458252849 969274415 /nfs/dbraw/zinc/27/44/15/969274415.db2.gz MIZANDZXFUIBLX-HTQZYQBOSA-N 0 2 251.242 1.464 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(F)CCOCC1 ZINC001466629092 969980914 /nfs/dbraw/zinc/98/09/14/969980914.db2.gz QHRVWVZFWQEGAO-UHFFFAOYSA-N 0 2 284.243 1.758 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600446720 342209716 /nfs/dbraw/zinc/20/97/16/342209716.db2.gz OMFQQOMMATZXGT-VXFNFUGZSA-N 0 2 294.307 1.842 10 5 CDBELN CCC(O)(CC)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600766622 342248130 /nfs/dbraw/zinc/24/81/30/342248130.db2.gz MOVULLITKVGKJM-UHFFFAOYSA-N 0 2 296.323 1.924 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000600799716 342250002 /nfs/dbraw/zinc/25/00/02/342250002.db2.gz FPIZRGDTUJZGQS-XXILOJSOSA-N 0 2 292.291 1.286 10 5 CDBELN COCCC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000292909002 362518035 /nfs/dbraw/zinc/51/80/35/362518035.db2.gz CUCJIFLUFWVXHW-UHFFFAOYSA-N 0 2 294.307 1.799 10 5 CDBELN O=C(NCc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccccc1 ZINC000075609915 346763900 /nfs/dbraw/zinc/76/39/00/346763900.db2.gz ZIYBZDRTYDHWKV-NXEZZACHSA-N 0 2 288.263 1.132 10 5 CDBELN CN(C)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000358714498 356324644 /nfs/dbraw/zinc/32/46/44/356324644.db2.gz OSPCYCNHEXGHTK-UHFFFAOYSA-N 0 2 250.214 1.416 10 5 CDBELN C[C@@H]1CSC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342355330 359015359 /nfs/dbraw/zinc/01/53/59/359015359.db2.gz SXWXFYZHBUBYAC-GMSGAONNSA-N 0 2 282.321 1.782 10 5 CDBELN CC[C@](C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000456124127 363714810 /nfs/dbraw/zinc/71/48/10/363714810.db2.gz RVIKYAPMVMJELC-CYBMUJFWSA-N 0 2 282.296 1.845 10 5 CDBELN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](C)O ZINC000456229698 364038748 /nfs/dbraw/zinc/03/87/48/364038748.db2.gz LMPUJVQTSMPIEL-GMSGAONNSA-N 0 2 268.269 1.190 10 5 CDBELN C[C@@H]1C[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000412650851 240309608 /nfs/dbraw/zinc/30/96/08/240309608.db2.gz KTUSZMZXMGKUID-BBBLOLIVSA-N 0 2 294.307 1.844 10 5 CDBELN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(O)c1[N+](=O)[O-] ZINC000425151117 374427827 /nfs/dbraw/zinc/42/78/27/374427827.db2.gz FZOPMIQUWXEFII-AYMMMOKOSA-N 0 2 262.265 1.829 10 5 CDBELN C[C@@H]1CCC[C@]1(O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000294018801 375632181 /nfs/dbraw/zinc/63/21/81/375632181.db2.gz DZHZOQMJHNBMLN-OTYXRUKQSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(NC[C@@H](CO)C1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000427869469 247208173 /nfs/dbraw/zinc/20/81/73/247208173.db2.gz CZDORQQUOOCODA-VIFPVBQESA-N 0 2 280.280 1.049 10 5 CDBELN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cncnc1 ZINC000433381359 248031574 /nfs/dbraw/zinc/03/15/74/248031574.db2.gz JLRQOAQQAWVWNW-MRVPVSSYSA-N 0 2 288.263 1.833 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]1C1CC1 ZINC000452997844 252243463 /nfs/dbraw/zinc/24/34/63/252243463.db2.gz VLORYWHNWOWYEQ-LLVKDONJSA-N 0 2 262.265 1.925 10 5 CDBELN CS[C@@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316487 140162705 /nfs/dbraw/zinc/16/27/05/140162705.db2.gz GPNIUHQUEIVTNS-ZETCQYMHSA-N 0 2 270.310 1.782 10 5 CDBELN CCc1ncc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000354218643 156331510 /nfs/dbraw/zinc/33/15/10/156331510.db2.gz OXMNBQIMBOGSTE-UHFFFAOYSA-N 0 2 288.263 1.905 10 5 CDBELN O=C([O-])c1ccc([N+](=O)[O-])c(OCC[NH+]2CCOCC2)c1 ZINC000036225944 172522933 /nfs/dbraw/zinc/52/29/33/172522933.db2.gz HMYQMBXPFZECOT-UHFFFAOYSA-N 0 2 296.279 1.004 10 5 CDBELN Nc1ccncc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071228147 176090724 /nfs/dbraw/zinc/09/07/24/176090724.db2.gz TUSAESLVQOLZAA-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN C[C@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)[C@@H]1CCCO1 ZINC000903826689 626105168 /nfs/dbraw/zinc/10/51/68/626105168.db2.gz VDOLFNQBYPVUSC-KDXUFGMBSA-N 0 2 253.258 1.485 10 5 CDBELN Cc1c[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC001631487801 1166280068 /nfs/dbraw/zinc/28/00/68/1166280068.db2.gz XFYXOYNLWALUPZ-VXGBXAGGSA-N 0 2 286.291 1.989 10 5 CDBELN COc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)co1 ZINC001138013084 936454072 /nfs/dbraw/zinc/45/40/72/936454072.db2.gz DYLVPFXXAKVULF-UHFFFAOYSA-N 0 2 279.208 1.549 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc(CO)n1 ZINC001138013785 936454588 /nfs/dbraw/zinc/45/45/88/936454588.db2.gz WAELEBRIENYVRM-UHFFFAOYSA-N 0 2 295.276 1.502 10 5 CDBELN C[C@@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1cnccn1 ZINC001261793003 946279275 /nfs/dbraw/zinc/27/92/75/946279275.db2.gz SXOIOUOQFLFNCO-ZXFLCMHBSA-N 0 2 261.241 1.144 10 5 CDBELN O=C(C[C@H]1CCCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000593595665 342815553 /nfs/dbraw/zinc/81/55/53/342815553.db2.gz JOKLMOJBTYAEJF-SECBINFHSA-N 0 2 266.253 1.808 10 5 CDBELN C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[NH2+]CCO1 ZINC000126779283 342204863 /nfs/dbraw/zinc/20/48/63/342204863.db2.gz ILWRVYYMSJHUHY-CYBMUJFWSA-N 0 2 279.340 1.058 10 5 CDBELN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000600486492 342222659 /nfs/dbraw/zinc/22/26/59/342222659.db2.gz FFLPLONDNPYOAF-UHFFFAOYSA-N 0 2 292.291 1.790 10 5 CDBELN CO[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000597870133 343654319 /nfs/dbraw/zinc/65/43/19/343654319.db2.gz LYPWZICUHKWBCL-JTQLQIEISA-N 0 2 294.307 1.942 10 5 CDBELN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1O ZINC000598308054 343762508 /nfs/dbraw/zinc/76/25/08/343762508.db2.gz LINJTJMARZBCAP-VXGBXAGGSA-N 0 2 292.291 1.334 10 5 CDBELN Cc1ccc(S(=O)(=O)Nc2cnoc2)cc1[N+](=O)[O-] ZINC000604542303 344899359 /nfs/dbraw/zinc/89/93/59/344899359.db2.gz LVFNKQJECUVTMP-UHFFFAOYSA-N 0 2 283.265 1.692 10 5 CDBELN COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc1 ZINC000612548322 347207921 /nfs/dbraw/zinc/20/79/21/347207921.db2.gz HAQLKBVFUHKQAY-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457708554 304003359 /nfs/dbraw/zinc/00/33/59/304003359.db2.gz KFAPEIINCJMJKN-SFGNSQDASA-N 0 2 290.275 1.854 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](C2CC2)C1 ZINC000364505649 363034284 /nfs/dbraw/zinc/03/42/84/363034284.db2.gz OKUPQHXESVKUBA-CYBMUJFWSA-N 0 2 292.291 1.551 10 5 CDBELN CO[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000294444445 199042286 /nfs/dbraw/zinc/04/22/86/199042286.db2.gz HFXLPSNTSMOEMQ-LLVKDONJSA-N 0 2 280.280 1.455 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000361657936 358408659 /nfs/dbraw/zinc/40/86/59/358408659.db2.gz DLFYMYGRJGJGIS-ZETCQYMHSA-N 0 2 268.294 1.992 10 5 CDBELN Cc1nn(C)c(C)c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436639399 359026929 /nfs/dbraw/zinc/02/69/29/359026929.db2.gz OWMPSENXZSAAGZ-UHFFFAOYSA-N 0 2 290.279 1.903 10 5 CDBELN O=C(NCCCCF)c1ccc([N+](=O)[O-])cc1O ZINC000436642162 358994377 /nfs/dbraw/zinc/99/43/77/358994377.db2.gz QXUYUKBUOHDXHX-UHFFFAOYSA-N 0 2 256.233 1.780 10 5 CDBELN C[C@@H](F)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000356658315 372999358 /nfs/dbraw/zinc/99/93/58/372999358.db2.gz VEBXSWQGXMUBLW-SSDOTTSWSA-N 0 2 256.233 1.778 10 5 CDBELN C[C@@H](O)C[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283331314 296195968 /nfs/dbraw/zinc/19/59/68/296195968.db2.gz HGLWNPLKPXDEOD-NXEZZACHSA-N 0 2 294.307 1.676 10 5 CDBELN CCOCCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280821688 375026345 /nfs/dbraw/zinc/02/63/45/375026345.db2.gz SHMYTGDWRDEGQF-UHFFFAOYSA-N 0 2 268.269 1.457 10 5 CDBELN COC[C@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCOC1 ZINC000450542205 251331024 /nfs/dbraw/zinc/33/10/24/251331024.db2.gz SYTRYOVXPMIHGI-CYBMUJFWSA-N 0 2 296.279 1.292 10 5 CDBELN O=C(NCC1=CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000397719491 391632595 /nfs/dbraw/zinc/63/25/95/391632595.db2.gz VHPWRRWZEPKJAH-UHFFFAOYSA-N 0 2 278.264 1.377 10 5 CDBELN C[C@H]1CC[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000399221044 391672264 /nfs/dbraw/zinc/67/22/64/391672264.db2.gz IXMNBYPLGICYQT-WPRPVWTQSA-N 0 2 280.280 1.286 10 5 CDBELN C[C@@H]1C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000526933808 392971991 /nfs/dbraw/zinc/97/19/91/392971991.db2.gz HJMJIUIPKKBNMW-OCAPTIKFSA-N 0 2 250.254 1.923 10 5 CDBELN CC(C)[C@H](CO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000345952741 153007526 /nfs/dbraw/zinc/00/75/26/153007526.db2.gz IQVTVSCEBBWACW-VIFPVBQESA-N 0 2 282.296 1.295 10 5 CDBELN Cc1cc(NS(=O)(=O)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000043570335 175067741 /nfs/dbraw/zinc/06/77/41/175067741.db2.gz KXKOHDHOTGLXHO-UHFFFAOYSA-N 0 2 282.281 1.427 10 5 CDBELN C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000398700076 270358333 /nfs/dbraw/zinc/35/83/33/270358333.db2.gz LKXYAMADHGSTEE-NXEZZACHSA-N 0 2 294.307 1.391 10 5 CDBELN CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000452964010 288374700 /nfs/dbraw/zinc/37/47/00/288374700.db2.gz USWZAYUPRATPLG-SKDRFNHKSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000048918817 570299453 /nfs/dbraw/zinc/29/94/53/570299453.db2.gz LUEAZYMKRHNZEY-BDAKNGLRSA-N 0 2 290.304 1.809 10 5 CDBELN CC/C=C(\C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000750758329 577004349 /nfs/dbraw/zinc/00/43/49/577004349.db2.gz YJVLWNITRRQXDF-XBXARRHUSA-N 0 2 299.308 1.151 10 5 CDBELN CCn1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001295973112 954779077 /nfs/dbraw/zinc/77/90/77/954779077.db2.gz SNSDJZKDGJHKBZ-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN O=C(NOCc1ccccn1)c1ccc([N+](=O)[O-])cc1O ZINC001299114955 955278955 /nfs/dbraw/zinc/27/89/55/955278955.db2.gz DWLWDQOXGJOSQA-UHFFFAOYSA-N 0 2 289.247 1.557 10 5 CDBELN COCC[C@H](COC)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436814952 361744031 /nfs/dbraw/zinc/74/40/31/361744031.db2.gz JEAXESXQCFOZEE-SECBINFHSA-N 0 2 298.295 1.082 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CC2(F)F)C1 ZINC000594389925 342894545 /nfs/dbraw/zinc/89/45/45/342894545.db2.gz XFOLHIUMKSMGKT-UHFFFAOYSA-N 0 2 284.218 1.782 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](CCF)C1 ZINC000600493091 342227309 /nfs/dbraw/zinc/22/73/09/342227309.db2.gz FRXWWXXNEIHMMO-SNVBAGLBSA-N 0 2 298.270 1.501 10 5 CDBELN CN(C[C@H]1C[C@@H](O)C1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600609767 342237942 /nfs/dbraw/zinc/23/79/42/342237942.db2.gz PSQFFBASMHBQMI-WAAGHKOSSA-N 0 2 280.280 1.143 10 5 CDBELN Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000436970442 362159584 /nfs/dbraw/zinc/15/95/84/362159584.db2.gz LGQKAYXYCJVBMD-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1(CO)CC1 ZINC000598036815 343701687 /nfs/dbraw/zinc/70/16/87/343701687.db2.gz OMVZPJDWSBPXSQ-MRVPVSSYSA-N 0 2 280.280 1.191 10 5 CDBELN C[C@@]12COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000598232350 343739354 /nfs/dbraw/zinc/73/93/54/343739354.db2.gz PPIDVQCZYSMPAP-IINYFYTJSA-N 0 2 292.291 1.409 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000598182796 343730145 /nfs/dbraw/zinc/73/01/45/343730145.db2.gz CTGCCHOWECVQES-WOFXILAISA-N 0 2 294.307 1.389 10 5 CDBELN O=C(N[C@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598302111 343758848 /nfs/dbraw/zinc/75/88/48/343758848.db2.gz DQZKFDAKEAXDKI-RYUDHWBXSA-N 0 2 292.291 1.334 10 5 CDBELN CCN(CCOC)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286587276 390550660 /nfs/dbraw/zinc/55/06/60/390550660.db2.gz DDEXXJJSKLJYHB-UHFFFAOYSA-N 0 2 268.269 1.409 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000217316594 390962664 /nfs/dbraw/zinc/96/26/64/390962664.db2.gz GNIYCYUUOBXSIB-MRVPVSSYSA-N 0 2 282.321 1.878 10 5 CDBELN C[C@@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000310678416 149198265 /nfs/dbraw/zinc/19/82/65/149198265.db2.gz KAZPNTFPAMBRMT-APPZFPTMSA-N 0 2 250.254 1.829 10 5 CDBELN COCC[C@H](COC)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000314714189 149256079 /nfs/dbraw/zinc/25/60/79/149256079.db2.gz CPQXSROPZWZAPV-SNVBAGLBSA-N 0 2 298.295 1.082 10 5 CDBELN O=C(NC[C@H]1CC[C@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000334002900 149295821 /nfs/dbraw/zinc/29/58/21/149295821.db2.gz CBKWDDOOIBTYGV-IUCAKERBSA-N 0 2 280.280 1.191 10 5 CDBELN C[C@H](O)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355511290 157091166 /nfs/dbraw/zinc/09/11/66/157091166.db2.gz RIVSSYSVTGMROO-QMMMGPOBSA-N 0 2 268.269 1.191 10 5 CDBELN CS(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005746730 170136123 /nfs/dbraw/zinc/13/61/23/170136123.db2.gz MYVUAJLZCUJAOC-UHFFFAOYSA-N 0 2 250.663 1.620 10 5 CDBELN COCCCn1ccc(Nc2nn(C)cc2[N+](=O)[O-])n1 ZINC001472701198 1167759702 /nfs/dbraw/zinc/75/97/02/1167759702.db2.gz IBXIGGBIUXSFKO-UHFFFAOYSA-N 0 2 280.288 1.305 10 5 CDBELN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc(OC(F)F)n2)no1 ZINC000858815681 742933705 /nfs/dbraw/zinc/93/37/05/742933705.db2.gz WUZJCCHCJMZLNK-IYSWYEEDSA-N 0 2 298.205 1.866 10 5 CDBELN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2coc(C3CC3)n2)no1 ZINC000858830721 746705801 /nfs/dbraw/zinc/70/58/01/746705801.db2.gz MBAGLEFZLSFMPK-HTRCEHHLSA-N 0 2 262.225 1.735 10 5 CDBELN CC(C)(C)n1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cn1 ZINC000842499768 747317036 /nfs/dbraw/zinc/31/70/36/747317036.db2.gz RWLMXIOBFGJZIG-RKDXNWHRSA-N 0 2 277.284 1.821 10 5 CDBELN Cn1ncc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC001449939166 967601743 /nfs/dbraw/zinc/60/17/43/967601743.db2.gz SJRUTTPJVVRDDP-UHFFFAOYSA-N 0 2 288.263 1.190 10 5 CDBELN CN1C(=O)CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001466628896 969980883 /nfs/dbraw/zinc/98/08/83/969980883.db2.gz KBRVHIHDVJSIHV-JTQLQIEISA-N 0 2 293.279 1.250 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600440225 342208947 /nfs/dbraw/zinc/20/89/47/342208947.db2.gz JOVPNWYGJATZQI-UOKLYIGXSA-N 0 2 294.307 1.842 10 5 CDBELN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000593753968 342833079 /nfs/dbraw/zinc/83/30/79/342833079.db2.gz CPMFIVOJBZKSQB-GBIKHYSHSA-N 0 2 294.307 1.830 10 5 CDBELN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000593753968 342833080 /nfs/dbraw/zinc/83/30/80/342833080.db2.gz CPMFIVOJBZKSQB-GBIKHYSHSA-N 0 2 294.307 1.830 10 5 CDBELN CCc1nnsc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166096324 529769723 /nfs/dbraw/zinc/76/97/23/529769723.db2.gz XIOAIJALPOHBME-UHFFFAOYSA-N 0 2 294.292 1.967 10 5 CDBELN O=C(N[C@@H]1C[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436997688 362251764 /nfs/dbraw/zinc/25/17/64/362251764.db2.gz HCZVQBWWFLMOBG-GXSJLCMTSA-N 0 2 262.265 1.829 10 5 CDBELN C[C@H]1OCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1C ZINC000283562785 357573633 /nfs/dbraw/zinc/57/36/33/357573633.db2.gz VTWWGSRSDKUCCH-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000569584577 359251618 /nfs/dbraw/zinc/25/16/18/359251618.db2.gz XQNXVTYIDVHOLG-BXKDBHETSA-N 0 2 296.323 1.827 10 5 CDBELN CC(C)c1csc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n1 ZINC000047248926 412764128 /nfs/dbraw/zinc/76/41/28/412764128.db2.gz JOBAVFNAJHHINP-SVRRBLITSA-N 0 2 255.299 1.870 10 5 CDBELN O=C(N=c1cc(C2CC2)[nH][nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000352062304 375350760 /nfs/dbraw/zinc/35/07/60/375350760.db2.gz VTNZOWWVDRTOBU-UHFFFAOYSA-N 0 2 288.263 1.575 10 5 CDBELN COCCOC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353262145 375592351 /nfs/dbraw/zinc/59/23/51/375592351.db2.gz SLJUEEWRHXVPPX-VIFPVBQESA-N 0 2 298.295 1.082 10 5 CDBELN C/C=C\C[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354901712 375759252 /nfs/dbraw/zinc/75/92/52/375759252.db2.gz ODCMKIUPGMUAOC-PKRMOACSSA-N 0 2 280.280 1.357 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]1C1CC1 ZINC000452503340 252080528 /nfs/dbraw/zinc/08/05/28/252080528.db2.gz SSBBKEBNPSXVAF-JTQLQIEISA-N 0 2 262.265 1.925 10 5 CDBELN CCOC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000452697815 252141929 /nfs/dbraw/zinc/14/19/29/252141929.db2.gz OKMCCTSMGXNGDW-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN CCN(CCC(=O)OC)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280916809 195027167 /nfs/dbraw/zinc/02/71/67/195027167.db2.gz JAEKZJFCWUGXBX-UHFFFAOYSA-N 0 2 296.279 1.326 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)on1 ZINC000183894726 391329844 /nfs/dbraw/zinc/32/98/44/391329844.db2.gz KQNYGHPBIMIZIR-UHFFFAOYSA-N 0 2 263.209 1.849 10 5 CDBELN Cc1cnn(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000186638610 391342036 /nfs/dbraw/zinc/34/20/36/391342036.db2.gz VHWCGVHEWJHJOU-UHFFFAOYSA-N 0 2 290.279 1.235 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)[C@@H](C)O1 ZINC000438417993 392075591 /nfs/dbraw/zinc/07/55/91/392075591.db2.gz IBEATMRJFNWDIK-KXUCPTDWSA-N 0 2 294.307 1.938 10 5 CDBELN CCN(C[C@H]1CCCO1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233512617 140226595 /nfs/dbraw/zinc/22/65/95/140226595.db2.gz DNYLPKRTWQNXAB-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN CCOC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000220192858 280092343 /nfs/dbraw/zinc/09/23/43/280092343.db2.gz ADPRBZDWNYLOIP-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN C[C@@H]1CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235240944 280126788 /nfs/dbraw/zinc/12/67/88/280126788.db2.gz XKHASCQWMPPLIE-MRVPVSSYSA-N 0 2 250.254 1.925 10 5 CDBELN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000153292332 289163058 /nfs/dbraw/zinc/16/30/58/289163058.db2.gz SIHNFVNGODYJKC-UHFFFAOYSA-N 0 2 298.262 1.822 10 5 CDBELN CO[C@@H](C)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000311477702 293435833 /nfs/dbraw/zinc/43/58/33/293435833.db2.gz KEURBUIPLDGIRC-QMMMGPOBSA-N 0 2 268.269 1.407 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2n[nH]cc2C1 ZINC000349434559 316126473 /nfs/dbraw/zinc/12/64/73/316126473.db2.gz UABXBFFUVAKPSA-UHFFFAOYSA-N 0 2 288.263 1.222 10 5 CDBELN Cc1ocnc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182086973 323262150 /nfs/dbraw/zinc/26/21/50/323262150.db2.gz VVYDXRMPHPGZTL-UHFFFAOYSA-N 0 2 263.209 1.849 10 5 CDBELN O=C(NCc1nccs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236562196 526831846 /nfs/dbraw/zinc/83/18/46/526831846.db2.gz JLYRODMGFPQDKO-UHFFFAOYSA-N 0 2 279.277 1.687 10 5 CDBELN COC[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234674454 536545818 /nfs/dbraw/zinc/54/58/18/536545818.db2.gz OQGAMNJWJGMNLY-SSDOTTSWSA-N 0 2 254.242 1.065 10 5 CDBELN CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881160 1166794140 /nfs/dbraw/zinc/79/41/40/1166794140.db2.gz DUHLFWZKBCDOPU-NZXMKCKXSA-N 0 2 280.280 1.910 10 5 CDBELN CCC[C@H](O)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001653024196 1171498862 /nfs/dbraw/zinc/49/88/62/1171498862.db2.gz DGSPCZOWAIXLNQ-JTQLQIEISA-N 0 2 282.296 1.581 10 5 CDBELN Cc1cn2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2n1 ZINC000839630267 753039804 /nfs/dbraw/zinc/03/98/04/753039804.db2.gz SJMOGKYLQIYTNF-NXEZZACHSA-N 0 2 260.253 1.246 10 5 CDBELN COCCN(CCF)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000697048318 906932595 /nfs/dbraw/zinc/93/25/95/906932595.db2.gz URXBGRACBZXZQX-UHFFFAOYSA-N 0 2 286.259 1.359 10 5 CDBELN O=C(/C=C/Cn1cncn1)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013934 936454095 /nfs/dbraw/zinc/45/40/95/936454095.db2.gz ZJQXBXLOIOYDBL-OWOJBTEDSA-N 0 2 289.251 1.087 10 5 CDBELN CCN(CC)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601281357 342548774 /nfs/dbraw/zinc/54/87/74/342548774.db2.gz NMUHBDYMVKQOBR-UHFFFAOYSA-N 0 2 278.355 1.995 10 5 CDBELN C[C@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)O1 ZINC000598214277 343734527 /nfs/dbraw/zinc/73/45/27/343734527.db2.gz SOJMMQFIDNGGIR-ONGXEEELSA-N 0 2 294.307 1.988 10 5 CDBELN CC1(C)OCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000598454299 343803544 /nfs/dbraw/zinc/80/35/44/343803544.db2.gz MDNMTQXQYKJYRM-SECBINFHSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1CO ZINC000598909657 343922646 /nfs/dbraw/zinc/92/26/46/343922646.db2.gz LHYFMCJPKJODKT-UWVGGRQHSA-N 0 2 294.307 1.391 10 5 CDBELN COc1ccc(S(=O)(=O)Nc2cnoc2)cc1[N+](=O)[O-] ZINC000604542507 344899612 /nfs/dbraw/zinc/89/96/12/344899612.db2.gz WBBYURWIWGTKGC-UHFFFAOYSA-N 0 2 299.264 1.392 10 5 CDBELN O=C(NCCOCC1CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000584772704 346427921 /nfs/dbraw/zinc/42/79/21/346427921.db2.gz COXLHHVIJHFFRI-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN C[C@@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271283070 191048563 /nfs/dbraw/zinc/04/85/63/191048563.db2.gz OJQQMXSKBIASOZ-SFYZADRCSA-N 0 2 250.254 1.686 10 5 CDBELN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353483773 363364454 /nfs/dbraw/zinc/36/44/54/363364454.db2.gz SOFSLQQERIYBAV-OTYXRUKQSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](CC(C)(C)O)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000296730425 359394177 /nfs/dbraw/zinc/39/41/77/359394177.db2.gz AAZMJFPOONSOPI-QMMMGPOBSA-N 0 2 282.296 1.580 10 5 CDBELN C[C@@H](Cn1cccn1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235207550 359887065 /nfs/dbraw/zinc/88/70/65/359887065.db2.gz ULEYVRLXJPRHMS-VIFPVBQESA-N 0 2 290.279 1.315 10 5 CDBELN CS[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000296954924 359991126 /nfs/dbraw/zinc/99/11/26/359991126.db2.gz PFOVFKBUCVOHOL-QMMMGPOBSA-N 0 2 282.321 1.878 10 5 CDBELN Nc1cc(O)c([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCCO1 ZINC000170597848 364163026 /nfs/dbraw/zinc/16/30/26/364163026.db2.gz OIFLOLHJUYMZTP-QMMMGPOBSA-N 0 2 295.295 1.182 10 5 CDBELN CC(C)(O)C(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000456805320 364784203 /nfs/dbraw/zinc/78/42/03/364784203.db2.gz WOIHGGDSIASNCQ-UHFFFAOYSA-N 0 2 296.323 1.827 10 5 CDBELN CC[C@@](C)(CCO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280849665 195000928 /nfs/dbraw/zinc/00/09/28/195000928.db2.gz AEOTUGINWWPQKD-ZDUSSCGKSA-N 0 2 282.296 1.581 10 5 CDBELN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](C)CO ZINC000280959889 195046137 /nfs/dbraw/zinc/04/61/37/195046137.db2.gz JQRJWPMEDIEDTE-HTQZYQBOSA-N 0 2 268.269 1.047 10 5 CDBELN C[C@@H](O)CCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316581 140163684 /nfs/dbraw/zinc/16/36/84/140163684.db2.gz YXEDDQBYWCQNIB-MRVPVSSYSA-N 0 2 268.269 1.143 10 5 CDBELN C[C@H](O)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316329 140162843 /nfs/dbraw/zinc/16/28/43/140162843.db2.gz QUXQRGKHFDJDAX-IUCAKERBSA-N 0 2 280.280 1.143 10 5 CDBELN O=C(NC1CCSCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316592 140164002 /nfs/dbraw/zinc/16/40/02/140164002.db2.gz ZSIBMJVKIMOKEE-UHFFFAOYSA-N 0 2 282.321 1.926 10 5 CDBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ncon1 ZINC000343876755 152336735 /nfs/dbraw/zinc/33/67/35/152336735.db2.gz SSOZSLRZZUPWOZ-LURJTMIESA-N 0 2 278.224 1.174 10 5 CDBELN O=C(CCc1cncnc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000346335930 153145691 /nfs/dbraw/zinc/14/56/91/153145691.db2.gz ZLAPRBGVSXXXQC-UHFFFAOYSA-N 0 2 288.263 1.662 10 5 CDBELN Cc1ccc(O)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000355493298 157081503 /nfs/dbraw/zinc/08/15/03/157081503.db2.gz TWGIIOYWZXHPAS-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN CO[C@H]([C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000388279053 323785398 /nfs/dbraw/zinc/78/53/98/323785398.db2.gz KFGZLWNGKDKSIJ-AMIZOPFISA-N 0 2 294.307 1.844 10 5 CDBELN COC(=O)C(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000314169445 536426186 /nfs/dbraw/zinc/42/61/86/536426186.db2.gz PUGIEKDNEKHFPB-UHFFFAOYSA-N 0 2 296.279 1.229 10 5 CDBELN O=C(Nc1ccnc(CO)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000765305582 576006992 /nfs/dbraw/zinc/00/69/92/576006992.db2.gz CEKARMRLSSYHMN-UHFFFAOYSA-N 0 2 289.247 1.440 10 5 CDBELN O=C(NOC/C=C/Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000812402430 754333221 /nfs/dbraw/zinc/33/32/21/754333221.db2.gz SMRLIYASZLDZPW-DAFODLJHSA-N 0 2 272.644 1.714 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CSC[C@@H]2C1 ZINC000711594188 754368751 /nfs/dbraw/zinc/36/87/51/754368751.db2.gz LCFPRQZLMKMJGU-DTORHVGOSA-N 0 2 294.332 1.735 10 5 CDBELN COC(C)(C)c1nsc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001287633161 953844348 /nfs/dbraw/zinc/84/43/48/953844348.db2.gz RGROQZBFJZCIIK-PHDIDXHHSA-N 0 2 286.313 1.023 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1=C[S@](=O)CCC1 ZINC001447270844 966737660 /nfs/dbraw/zinc/73/76/60/966737660.db2.gz VKTJWARVEKVYDU-HXUWFJFHSA-N 0 2 296.304 1.665 10 5 CDBELN O=C(N[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1O ZINC001471436462 970422075 /nfs/dbraw/zinc/42/20/75/970422075.db2.gz MOBLSBDEKVSVLL-OCCSQVGLSA-N 0 2 292.291 1.742 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(F)(F)C1 ZINC000586805531 342470197 /nfs/dbraw/zinc/47/01/97/342470197.db2.gz ZTUWADOBPJNUKR-UHFFFAOYSA-N 0 2 258.180 1.392 10 5 CDBELN O=C(NCC1CC=CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600224198 341986856 /nfs/dbraw/zinc/98/68/56/341986856.db2.gz HWEODOLQZWOTAU-UHFFFAOYSA-N 0 2 262.265 1.996 10 5 CDBELN CC[C@H](C)C[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000592871176 342742224 /nfs/dbraw/zinc/74/22/24/342742224.db2.gz JNNVWKWUERWIRX-VHSXEESVSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600522403 342229958 /nfs/dbraw/zinc/22/99/58/342229958.db2.gz OVTQVCKUFSISEG-TVQRCGJNSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000598113079 343716570 /nfs/dbraw/zinc/71/65/70/343716570.db2.gz KEZZLEXODMIXDY-RKDXNWHRSA-N 0 2 292.291 1.598 10 5 CDBELN COC(=O)c1ccc(-c2noc([C@H]3C[C@@H]3[N+](=O)[O-])n2)cc1 ZINC000075610050 346763800 /nfs/dbraw/zinc/76/38/00/346763800.db2.gz TUWJPKRBBUWBME-UWVGGRQHSA-N 0 2 289.247 1.656 10 5 CDBELN CCc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)no1 ZINC000612548775 347208165 /nfs/dbraw/zinc/20/81/65/347208165.db2.gz MAQROKACXYDSEP-UHFFFAOYSA-N 0 2 277.236 1.525 10 5 CDBELN CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353483774 363367174 /nfs/dbraw/zinc/36/71/74/363367174.db2.gz SOFSLQQERIYBAV-XPTSAGLGSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000166079528 188635799 /nfs/dbraw/zinc/63/57/99/188635799.db2.gz VAWDHNZVXKUOFD-NSHDSACASA-N 0 2 266.253 1.808 10 5 CDBELN CC(C)C[C@@H](CO)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000186634441 357670193 /nfs/dbraw/zinc/67/01/93/357670193.db2.gz YFSGMOMTVNZNIF-NSHDSACASA-N 0 2 296.323 1.779 10 5 CDBELN C[C@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436714784 359506200 /nfs/dbraw/zinc/50/62/00/359506200.db2.gz VDBCUOJMUSOGRA-XVKPBYJWSA-N 0 2 250.254 1.829 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H](CO)C1 ZINC000280789020 375022072 /nfs/dbraw/zinc/02/20/72/375022072.db2.gz OCUVTPGPNWZPHI-SECBINFHSA-N 0 2 280.280 1.145 10 5 CDBELN COC(OC)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000289214400 197265111 /nfs/dbraw/zinc/26/51/11/197265111.db2.gz YRENSJBRQYXGPN-ZETCQYMHSA-N 0 2 284.268 1.038 10 5 CDBELN CCn1ccnc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000394427263 390177385 /nfs/dbraw/zinc/17/73/85/390177385.db2.gz UYNJJJYHYLZOJR-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000399221041 391672558 /nfs/dbraw/zinc/67/25/58/391672558.db2.gz IXMNBYPLGICYQT-PSASIEDQSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(NC[C@@H]1CCCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561412 140241330 /nfs/dbraw/zinc/24/13/30/140241330.db2.gz MTJIXQQCTJLLAC-VIFPVBQESA-N 0 2 280.280 1.457 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000346443050 153189802 /nfs/dbraw/zinc/18/98/02/153189802.db2.gz WYVKTMANDZCFKJ-UHFFFAOYSA-N 0 2 276.252 1.311 10 5 CDBELN C[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336831529 297139198 /nfs/dbraw/zinc/13/91/98/297139198.db2.gz PZIZXVGNZQRNEV-KCJUWKMLSA-N 0 2 280.280 1.455 10 5 CDBELN CN(Cc1ccc[nH]1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000355481748 157076459 /nfs/dbraw/zinc/07/64/59/157076459.db2.gz FGCOTCMSJHXVCR-UHFFFAOYSA-N 0 2 275.264 1.901 10 5 CDBELN CCOc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040659586 174365325 /nfs/dbraw/zinc/36/53/25/174365325.db2.gz IYZVJZHDILDKHM-UHFFFAOYSA-N 0 2 255.278 1.499 10 5 CDBELN COC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000227882825 536673601 /nfs/dbraw/zinc/67/36/01/536673601.db2.gz XIMSPLMKJQQFEE-UHFFFAOYSA-N 0 2 280.280 1.599 10 5 CDBELN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1C ZINC001618000338 1165617072 /nfs/dbraw/zinc/61/70/72/1165617072.db2.gz IGHNAGJTKFVXBH-UHFFFAOYSA-N 0 2 289.291 1.877 10 5 CDBELN Cn1ccc(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001637881609 1166793893 /nfs/dbraw/zinc/79/38/93/1166793893.db2.gz KPXVTFURLWUUBU-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN Cc1cc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)[nH]n1 ZINC001637885766 1166795941 /nfs/dbraw/zinc/79/59/41/1166795941.db2.gz SPSZFFVLDAJYPH-UHFFFAOYSA-N 0 2 290.279 1.903 10 5 CDBELN O=C(Nc1nc2c(o1)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001457102501 969105222 /nfs/dbraw/zinc/10/52/22/969105222.db2.gz OUPUOJDIUFFDCN-HTRCEHHLSA-N 0 2 251.242 1.157 10 5 CDBELN O=C(NCC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000600165065 341981980 /nfs/dbraw/zinc/98/19/80/341981980.db2.gz MISYLEVJDHCFQG-SNVBAGLBSA-N 0 2 294.307 1.847 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600440222 342208916 /nfs/dbraw/zinc/20/89/16/342208916.db2.gz JOVPNWYGJATZQI-APOZVJGGSA-N 0 2 294.307 1.842 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600444678 342209606 /nfs/dbraw/zinc/20/96/06/342209606.db2.gz XLDMQJXMCOCQDH-VXFNFUGZSA-N 0 2 294.307 1.842 10 5 CDBELN O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000593727472 342829624 /nfs/dbraw/zinc/82/96/24/342829624.db2.gz LNUPHPVWTGMEIF-TXEJJXNPSA-N 0 2 291.351 1.732 10 5 CDBELN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593816167 342838474 /nfs/dbraw/zinc/83/84/74/342838474.db2.gz SQJDFNYXLZAZTK-SNVBAGLBSA-N 0 2 294.307 1.942 10 5 CDBELN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc3n(n2)CCC3)[nH]1 ZINC000594696273 342943128 /nfs/dbraw/zinc/94/31/28/342943128.db2.gz NYMLTNCGBOLPPS-ARJAWSKDSA-N 0 2 289.251 1.109 10 5 CDBELN CNc1nccc(Oc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000138940432 342443176 /nfs/dbraw/zinc/44/31/76/342443176.db2.gz WPNLUAPALNBXFR-UHFFFAOYSA-N 0 2 262.225 1.924 10 5 CDBELN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1 ZINC000436831432 362240421 /nfs/dbraw/zinc/24/04/21/362240421.db2.gz PJFYUVGXENPHBH-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000598314196 343764379 /nfs/dbraw/zinc/76/43/79/343764379.db2.gz WFUKHPFFLVKDBA-NEPJUHHUSA-N 0 2 292.291 1.334 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]1C(F)F ZINC000601610239 344201928 /nfs/dbraw/zinc/20/19/28/344201928.db2.gz YGKMJJAFODUGEU-QMMMGPOBSA-N 0 2 272.207 1.780 10 5 CDBELN COc1c2c(ccc1[N+](=O)[O-])[C@@]1(CC2)OC(=O)NC1=O ZINC000584649207 346506695 /nfs/dbraw/zinc/50/66/95/346506695.db2.gz XZUULFDNUXQMHY-GFCCVEGCSA-N 0 2 278.220 1.011 10 5 CDBELN O=C(N[C@@H]1CCCSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316590 303853634 /nfs/dbraw/zinc/85/36/34/303853634.db2.gz DLWRYIPOBLLHRA-MRVPVSSYSA-N 0 2 282.321 1.926 10 5 CDBELN O=c1[nH][nH]c2ccc([N+](=O)[O-])c(Br)c12 ZINC000100231712 358823158 /nfs/dbraw/zinc/82/31/58/358823158.db2.gz DXSHENSPFJUSGK-UHFFFAOYSA-N 0 2 258.031 1.939 10 5 CDBELN COCCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000291159857 358884549 /nfs/dbraw/zinc/88/45/49/358884549.db2.gz HSSBWEBZHJAEGW-UHFFFAOYSA-N 0 2 294.307 1.799 10 5 CDBELN C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330367743 374849968 /nfs/dbraw/zinc/84/99/68/374849968.db2.gz FIPJYNWYDACDQS-VHSXEESVSA-N 0 2 294.307 1.676 10 5 CDBELN COC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000300273083 375577825 /nfs/dbraw/zinc/57/78/25/375577825.db2.gz OQGAMNJWJGMNLY-ZETCQYMHSA-N 0 2 254.242 1.065 10 5 CDBELN CCC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000356452758 375845567 /nfs/dbraw/zinc/84/55/67/375845567.db2.gz INRCVHGAIDNCJO-JTQLQIEISA-N 0 2 282.296 1.845 10 5 CDBELN O=C(NC[C@H]1CC12CC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000416255916 391889523 /nfs/dbraw/zinc/88/95/23/391889523.db2.gz JFDPUBRNTQSMEG-MRVPVSSYSA-N 0 2 262.265 1.830 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000217316368 391902600 /nfs/dbraw/zinc/90/26/00/391902600.db2.gz QJBIHWHZNPSTBR-KDDOJWQBSA-N 0 2 292.291 1.143 10 5 CDBELN C[C@@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000217315987 140163585 /nfs/dbraw/zinc/16/35/85/140163585.db2.gz NBYJOBRBMGPNAS-ZDUSSCGKSA-N 0 2 280.280 1.599 10 5 CDBELN CC(C)[C@H](CO)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000345946709 153005848 /nfs/dbraw/zinc/00/58/48/153005848.db2.gz DLXDYAYQOGEKDX-VIFPVBQESA-N 0 2 282.296 1.295 10 5 CDBELN CC(C)[C@@H](CCO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353774665 156075407 /nfs/dbraw/zinc/07/54/07/156075407.db2.gz IOXPAYVYKXGSJE-LLVKDONJSA-N 0 2 282.296 1.437 10 5 CDBELN O=C(NCc1ccc(F)cn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354066515 156250459 /nfs/dbraw/zinc/25/04/59/156250459.db2.gz VRUXZPGMLQGCGR-UHFFFAOYSA-N 0 2 291.238 1.765 10 5 CDBELN COC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000354199988 156320653 /nfs/dbraw/zinc/32/06/53/156320653.db2.gz JWLHMBUAGWYSTJ-LLVKDONJSA-N 0 2 280.280 1.455 10 5 CDBELN O=C(NC[C@H](CO)C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000359825724 158390414 /nfs/dbraw/zinc/39/04/14/158390414.db2.gz XDWXNVJKLOYYNP-SECBINFHSA-N 0 2 280.280 1.049 10 5 CDBELN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[C@@H]1C ZINC000187978095 293824934 /nfs/dbraw/zinc/82/49/34/293824934.db2.gz OXOSCYJWSZCKKU-TVQRCGJNSA-N 0 2 294.307 1.797 10 5 CDBELN C[C@H]1CSC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342355342 300393530 /nfs/dbraw/zinc/39/35/30/300393530.db2.gz SXWXFYZHBUBYAC-OIBJUYFYSA-N 0 2 282.321 1.782 10 5 CDBELN CCC[C@@H](C)[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000569612695 316815784 /nfs/dbraw/zinc/81/57/84/316815784.db2.gz GISPOWGZHCBTAA-KOLCDFICSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](CO)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184879729 524813819 /nfs/dbraw/zinc/81/38/19/524813819.db2.gz ZSCSUAYAUQXJRM-YUMQZZPRSA-N 0 2 268.269 1.047 10 5 CDBELN CC[C@H](C[C@H](C)O)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001636053456 1166646982 /nfs/dbraw/zinc/64/69/82/1166646982.db2.gz IAXBUJIQSMLHQO-DTWKUNHWSA-N 0 2 282.296 1.580 10 5 CDBELN CC(=O)c1ccsc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841243466 774853688 /nfs/dbraw/zinc/85/36/88/774853688.db2.gz KFOXRWJUZZOIMF-HTQZYQBOSA-N 0 2 254.267 1.554 10 5 CDBELN O=C(Nc1ccc2c(n1)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000874671462 777320086 /nfs/dbraw/zinc/32/00/86/777320086.db2.gz MSZAADOGGSIVCC-MWLCHTKSSA-N 0 2 261.281 1.564 10 5 CDBELN O=C(COc1ccsn1)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013534 936454191 /nfs/dbraw/zinc/45/41/91/936454191.db2.gz POALIPIHCDGHFJ-UHFFFAOYSA-N 0 2 295.276 1.774 10 5 CDBELN C[C@@H]1CCCCN1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001557280501 965162734 /nfs/dbraw/zinc/16/27/34/965162734.db2.gz AQMQPWBECOOLMU-SECBINFHSA-N 0 2 279.296 1.820 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1=C[S@@](=O)CCC1 ZINC001447270843 966738175 /nfs/dbraw/zinc/73/81/75/966738175.db2.gz VKTJWARVEKVYDU-FQEVSTJZSA-N 0 2 296.304 1.665 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(=O)[nH]cn1 ZINC001466628495 969981422 /nfs/dbraw/zinc/98/14/22/969981422.db2.gz CNOJLOWBRDRSGG-UHFFFAOYSA-N 0 2 276.208 1.048 10 5 CDBELN CC(C)n1cnc(NC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000593782988 342833837 /nfs/dbraw/zinc/83/38/37/342833837.db2.gz RPWWGDPGVWRIAM-UHFFFAOYSA-N 0 2 291.267 1.725 10 5 CDBELN C[C@H]1CCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000598216422 343734997 /nfs/dbraw/zinc/73/49/97/343734997.db2.gz ZSNKGQJHUOYWLA-GXSJLCMTSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2COC[C@@H]2C1 ZINC000598396055 343778591 /nfs/dbraw/zinc/77/85/91/343778591.db2.gz QVPLKKFMBSOBJI-UWVGGRQHSA-N 0 2 292.291 1.409 10 5 CDBELN CC1(c2cc(=O)n(-c3ccc([N+](=O)[O-])cn3)[nH]2)CC1 ZINC000601933409 344285079 /nfs/dbraw/zinc/28/50/79/344285079.db2.gz PSWOJBMBDUYDFZ-UHFFFAOYSA-N 0 2 260.253 1.883 10 5 CDBELN CCc1n[nH]cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294770 346738409 /nfs/dbraw/zinc/73/84/09/346738409.db2.gz HDUMFEGFLDOVDO-UHFFFAOYSA-N 0 2 276.252 1.838 10 5 CDBELN CCC(=O)N[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614274044 348053070 /nfs/dbraw/zinc/05/30/70/348053070.db2.gz CVDALVWWOJNRTN-ZETCQYMHSA-N 0 2 281.268 1.154 10 5 CDBELN CC[C@@](C)(CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297521825 200217715 /nfs/dbraw/zinc/21/77/15/200217715.db2.gz OOKNBTXVEXPDTA-LBPRGKRZSA-N 0 2 268.269 1.191 10 5 CDBELN Cc1nc(CN(C)C(=O)c2cccc(O)c2[N+](=O)[O-])no1 ZINC000280951458 239104818 /nfs/dbraw/zinc/10/48/18/239104818.db2.gz IVDXHPDFHVIDDM-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN COC(=O)c1ccc([N+](=O)[O-])c(Sc2n[nH]c(=O)[nH]2)c1 ZINC000429307944 374579082 /nfs/dbraw/zinc/57/90/82/374579082.db2.gz PSDGIWCKAJYLEX-UHFFFAOYSA-N 0 2 296.264 1.356 10 5 CDBELN O=C(NCCCOCC1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280732410 375016878 /nfs/dbraw/zinc/01/68/78/375016878.db2.gz ISALEHRWESOIMJ-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[C@H]1C ZINC000187978006 375151908 /nfs/dbraw/zinc/15/19/08/375151908.db2.gz OXOSCYJWSZCKKU-RNCFNFMXSA-N 0 2 294.307 1.797 10 5 CDBELN CC(C)[C@@](C)(CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000427397782 247136816 /nfs/dbraw/zinc/13/68/16/247136816.db2.gz WYSNYTWOSVCOFI-CYBMUJFWSA-N 0 2 282.296 1.437 10 5 CDBELN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cn[nH]c1 ZINC000035764578 377697049 /nfs/dbraw/zinc/69/70/49/377697049.db2.gz SMUGSUYUMWDOGY-UHFFFAOYSA-N 0 2 298.280 1.127 10 5 CDBELN C[C@H](O)CCN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281081450 195096054 /nfs/dbraw/zinc/09/60/54/195096054.db2.gz UNENADCMRLSQGV-QMMMGPOBSA-N 0 2 268.269 1.143 10 5 CDBELN O=C(NCc1ccc(O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354370984 391918877 /nfs/dbraw/zinc/91/88/77/391918877.db2.gz KSDUBCSGDXPAQB-UHFFFAOYSA-N 0 2 288.259 1.936 10 5 CDBELN COC[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316925 140162702 /nfs/dbraw/zinc/16/27/02/140162702.db2.gz QIXVRBGSJUEDLH-JTQLQIEISA-N 0 2 294.307 1.799 10 5 CDBELN Cc1cc(=O)[nH]c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000346302053 153131288 /nfs/dbraw/zinc/13/12/88/153131288.db2.gz AFHFLDRMBLUQDS-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](C2CC2)C1 ZINC000375340970 160371016 /nfs/dbraw/zinc/37/10/16/160371016.db2.gz LEXFQIGSLXUEIZ-ZDUSSCGKSA-N 0 2 292.291 1.551 10 5 CDBELN CC[C@@H](C[C@H](C)CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354067100 156252120 /nfs/dbraw/zinc/25/21/20/156252120.db2.gz YSFQMGICIVKLFP-UWVGGRQHSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(N[C@@H](CO)C1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000359607569 158307380 /nfs/dbraw/zinc/30/73/80/158307380.db2.gz CFNHAPRKKQWGQF-LBPRGKRZSA-N 0 2 294.307 1.581 10 5 CDBELN COC(=O)c1c2ccccc2[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000005424743 170098141 /nfs/dbraw/zinc/09/81/41/170098141.db2.gz SRMCWAOXZADCIP-UHFFFAOYSA-N 0 2 271.232 1.376 10 5 CDBELN C[C@@H]1COCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000192892518 227342494 /nfs/dbraw/zinc/34/24/94/227342494.db2.gz ROMGBGZYYLHYFJ-PSASIEDQSA-N 0 2 280.280 1.912 10 5 CDBELN COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000575876167 317031534 /nfs/dbraw/zinc/03/15/34/317031534.db2.gz JHYWRYBPFHEILB-UHFFFAOYSA-N 0 2 294.263 1.126 10 5 CDBELN C[S@](=O)(=NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000925951233 782473666 /nfs/dbraw/zinc/47/36/66/782473666.db2.gz WPVNEUBYHHBQGN-CLFVBBPSSA-N 0 2 268.294 1.335 10 5 CDBELN C[S@](=O)(=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000925951233 782473713 /nfs/dbraw/zinc/47/37/13/782473713.db2.gz WPVNEUBYHHBQGN-CLFVBBPSSA-N 0 2 268.294 1.335 10 5 CDBELN COc1ccc(OCc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000842486728 937059498 /nfs/dbraw/zinc/05/94/98/937059498.db2.gz FGMBFHZXBFYYRW-GHMZBOCLSA-N 0 2 291.263 1.790 10 5 CDBELN O=C(NOCC1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000856350412 928584116 /nfs/dbraw/zinc/58/41/16/928584116.db2.gz JKSVHJTWMXTCBO-UHFFFAOYSA-N 0 2 266.253 1.762 10 5 CDBELN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1-n1ccnc1 ZINC001143939677 931594009 /nfs/dbraw/zinc/59/40/09/931594009.db2.gz LOZYWGABNUXTBU-DGCLKSJQSA-N 0 2 286.291 1.784 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600439508 342208047 /nfs/dbraw/zinc/20/80/47/342208047.db2.gz HTKKXVOYVPRWCV-YDEXJTGXSA-N 0 2 294.307 1.842 10 5 CDBELN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000600673437 342241136 /nfs/dbraw/zinc/24/11/36/342241136.db2.gz CPMFIVOJBZKSQB-BREBYQMCSA-N 0 2 294.307 1.830 10 5 CDBELN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000600673437 342241137 /nfs/dbraw/zinc/24/11/37/342241137.db2.gz CPMFIVOJBZKSQB-BREBYQMCSA-N 0 2 294.307 1.830 10 5 CDBELN O=c1cc(/C=C/c2cc(O)ccc2[N+](=O)[O-])nc2nc[nH]n21 ZINC000436935286 362140369 /nfs/dbraw/zinc/14/03/69/362140369.db2.gz WAEAAAFQRVXGDC-OWOJBTEDSA-N 0 2 299.246 1.202 10 5 CDBELN O=C(N[C@@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000597920949 343671068 /nfs/dbraw/zinc/67/10/68/343671068.db2.gz UQLMRHCNBUMOOQ-NSHDSACASA-N 0 2 280.280 1.191 10 5 CDBELN C[C@H]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000598216425 343735127 /nfs/dbraw/zinc/73/51/27/343735127.db2.gz ZSNKGQJHUOYWLA-ONGXEEELSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@]12COC[C@@H]1CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000598225102 343737840 /nfs/dbraw/zinc/73/78/40/343737840.db2.gz LKXXTBSZKBNOFR-XPTSAGLGSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(NCC1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000598340970 343770422 /nfs/dbraw/zinc/77/04/22/343770422.db2.gz URZVYASBKYHNAK-UHFFFAOYSA-N 0 2 294.307 1.581 10 5 CDBELN CC[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000292610689 198351022 /nfs/dbraw/zinc/35/10/22/198351022.db2.gz XJZQSJTWDOQGFD-MRVPVSSYSA-N 0 2 268.269 1.455 10 5 CDBELN C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000235384310 297282051 /nfs/dbraw/zinc/28/20/51/297282051.db2.gz QPQIDUWKBMSJBD-BDAKNGLRSA-N 0 2 280.280 1.598 10 5 CDBELN O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000290529012 357210122 /nfs/dbraw/zinc/21/01/22/357210122.db2.gz QMEVLLSZCBYQOT-QMMMGPOBSA-N 0 2 293.279 1.298 10 5 CDBELN CCOCCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000350552521 358645324 /nfs/dbraw/zinc/64/53/24/358645324.db2.gz DDAACPGYQJPHSR-UHFFFAOYSA-N 0 2 282.296 1.847 10 5 CDBELN CC1(C)SC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338763931 359164811 /nfs/dbraw/zinc/16/48/11/359164811.db2.gz WBXMPQVMQZUVAK-SNVBAGLBSA-N 0 2 282.321 1.924 10 5 CDBELN O=C(NC[C@@H]1CCC[C@H]1O)c1cccc(O)c1[N+](=O)[O-] ZINC000456845860 364788908 /nfs/dbraw/zinc/78/89/08/364788908.db2.gz SMJRMJLRJOFSCI-WCBMZHEXSA-N 0 2 280.280 1.191 10 5 CDBELN CCC1(O)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330619263 203047451 /nfs/dbraw/zinc/04/74/51/203047451.db2.gz YYLUSBXSYUGMKP-UHFFFAOYSA-N 0 2 294.307 1.678 10 5 CDBELN C[C@@H](O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272852097 296168794 /nfs/dbraw/zinc/16/87/94/296168794.db2.gz QVBGQBDZHICOFI-SSDOTTSWSA-N 0 2 268.269 1.190 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC=C(F)C1 ZINC000354452660 375714785 /nfs/dbraw/zinc/71/47/85/375714785.db2.gz CDYSXUFRRGLCJG-UHFFFAOYSA-N 0 2 266.228 2.000 10 5 CDBELN CO[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000191472197 130241409 /nfs/dbraw/zinc/24/14/09/130241409.db2.gz SFVFDQHCGXHSDH-JGVFFNPUSA-N 0 2 268.269 1.454 10 5 CDBELN C[C@H]1CC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000310710509 149199385 /nfs/dbraw/zinc/19/93/85/149199385.db2.gz UIHYGHVMSWBVJO-XVKPBYJWSA-N 0 2 250.254 1.829 10 5 CDBELN Cc1ccc(Oc2ncnc(NN)c2[N+](=O)[O-])cc1 ZINC000040656751 174365271 /nfs/dbraw/zinc/36/52/71/174365271.db2.gz OIOLPFSWWDSFAX-UHFFFAOYSA-N 0 2 261.241 1.771 10 5 CDBELN CC[C@H](NCc1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000044928051 175278552 /nfs/dbraw/zinc/27/85/52/175278552.db2.gz IQVZALWGMFXOCD-JTQLQIEISA-N 0 2 262.273 1.349 10 5 CDBELN CC[C@@H]1[C@H](CO)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000331293766 287369774 /nfs/dbraw/zinc/36/97/74/287369774.db2.gz CBLKXMQZLBZQQC-GXSJLCMTSA-N 0 2 294.307 1.533 10 5 CDBELN CC1(C)COC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456529754 281294771 /nfs/dbraw/zinc/29/47/71/281294771.db2.gz BGNSHXVABWNTON-SNVBAGLBSA-N 0 2 280.280 1.455 10 5 CDBELN CO[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000217316840 293825161 /nfs/dbraw/zinc/82/51/61/293825161.db2.gz OKEPLPSXTJHMFP-TVQRCGJNSA-N 0 2 294.307 1.797 10 5 CDBELN Cc1n[nH]c(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001133906767 1163957649 /nfs/dbraw/zinc/95/76/49/1163957649.db2.gz ALTAKMAVHBGOBN-WDEREUQCSA-N 0 2 287.279 1.764 10 5 CDBELN COCCC1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000591786103 342646834 /nfs/dbraw/zinc/64/68/34/342646834.db2.gz XZBLOGINGDKTNS-UHFFFAOYSA-N 0 2 280.280 1.409 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]2COC[C@H]2C1 ZINC000598395316 343784893 /nfs/dbraw/zinc/78/48/93/343784893.db2.gz PGUVXVKBGYAOJF-GHMZBOCLSA-N 0 2 292.291 1.409 10 5 CDBELN COCCC1(C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000292907263 362517279 /nfs/dbraw/zinc/51/72/79/362517279.db2.gz CPWIKPGSHVLYIW-UHFFFAOYSA-N 0 2 294.307 1.799 10 5 CDBELN CO[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000292626932 198355225 /nfs/dbraw/zinc/35/52/25/198355225.db2.gz SFVFDQHCGXHSDH-HTQZYQBOSA-N 0 2 268.269 1.454 10 5 CDBELN COC1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCC1 ZINC000283222382 357546825 /nfs/dbraw/zinc/54/68/25/357546825.db2.gz JZDKRBQGIGOQIU-UHFFFAOYSA-N 0 2 280.280 1.599 10 5 CDBELN COc1cncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000436648441 359051568 /nfs/dbraw/zinc/05/15/68/359051568.db2.gz LUZYWYCFEWEOHQ-UHFFFAOYSA-N 0 2 290.235 1.351 10 5 CDBELN C[C@@H]1[C@H](CO)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000414029128 361060699 /nfs/dbraw/zinc/06/06/99/361060699.db2.gz IEWKKSDGNCJIBF-ZJUUUORDSA-N 0 2 294.307 1.533 10 5 CDBELN CSCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180768553 189273879 /nfs/dbraw/zinc/27/38/79/189273879.db2.gz FLEFVRVEAJODKH-UHFFFAOYSA-N 0 2 256.283 1.992 10 5 CDBELN CCOC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436836492 364822045 /nfs/dbraw/zinc/82/20/45/364822045.db2.gz YZCGFGLQWFXMNN-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN CC(C)OCCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280737453 375018260 /nfs/dbraw/zinc/01/82/60/375018260.db2.gz JLDKIHRIXOEXCC-UHFFFAOYSA-N 0 2 282.296 1.845 10 5 CDBELN COC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293910464 375424638 /nfs/dbraw/zinc/42/46/38/375424638.db2.gz MHBNMVNHEZNJRX-VIFPVBQESA-N 0 2 266.253 1.161 10 5 CDBELN COC1(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])CCC1 ZINC000294031324 375643638 /nfs/dbraw/zinc/64/36/38/375643638.db2.gz OADGCVCHPDEJQN-UHFFFAOYSA-N 0 2 294.307 1.989 10 5 CDBELN COC[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOC1 ZINC000450385867 251257200 /nfs/dbraw/zinc/25/72/00/251257200.db2.gz DNUOTJMEQXJPPH-CYBMUJFWSA-N 0 2 296.279 1.292 10 5 CDBELN O=C(NO[C@@H]1CCCCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000280860687 195006059 /nfs/dbraw/zinc/00/60/59/195006059.db2.gz XBOBYYPXXJTKGU-SNVBAGLBSA-N 0 2 282.252 1.488 10 5 CDBELN C[C@H]1C[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CO1 ZINC000489969946 253020190 /nfs/dbraw/zinc/02/01/90/253020190.db2.gz FJJLPLMJMOTXOW-JGVFFNPUSA-N 0 2 266.253 1.664 10 5 CDBELN CO[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000234817695 390884250 /nfs/dbraw/zinc/88/42/50/390884250.db2.gz LREJEHBESHHXGE-VXGBXAGGSA-N 0 2 294.307 1.844 10 5 CDBELN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n(C)n1 ZINC000235878524 140237705 /nfs/dbraw/zinc/23/77/05/140237705.db2.gz WTRGZDSQXPTKKX-UHFFFAOYSA-N 0 2 276.252 1.595 10 5 CDBELN O=C(NC[C@@H]1CCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561385 140241615 /nfs/dbraw/zinc/24/16/15/140241615.db2.gz YLODHSQNFWSMEU-VIFPVBQESA-N 0 2 266.253 1.209 10 5 CDBELN CC[C@@H](O)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353699018 156020937 /nfs/dbraw/zinc/02/09/37/156020937.db2.gz AIFXFBGTFJXOPO-SECBINFHSA-N 0 2 282.296 1.581 10 5 CDBELN Cn1cccc1C(=O)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355886100 157274473 /nfs/dbraw/zinc/27/44/73/157274473.db2.gz WEEGWJXHIMWUMD-UHFFFAOYSA-N 0 2 289.247 1.460 10 5 CDBELN CC[C@@H]1CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293873850 287090967 /nfs/dbraw/zinc/09/09/67/287090967.db2.gz DAQOQRSGNSJEKJ-MRVPVSSYSA-N 0 2 250.254 1.925 10 5 CDBELN O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000236617325 424106654 /nfs/dbraw/zinc/10/66/54/424106654.db2.gz YUWCCAUBZCDCGN-UHFFFAOYSA-N 0 2 291.307 1.221 10 5 CDBELN O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000047298425 280056981 /nfs/dbraw/zinc/05/69/81/280056981.db2.gz JTCYRMUNVAIOFA-VDTYLAMSSA-N 0 2 253.283 1.236 10 5 CDBELN CC[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000421994942 288341602 /nfs/dbraw/zinc/34/16/02/288341602.db2.gz TYXZDKLKKIIWBA-ONGXEEELSA-N 0 2 294.307 1.988 10 5 CDBELN Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1 ZINC000050639004 527505364 /nfs/dbraw/zinc/50/53/64/527505364.db2.gz PMSUKHJORRRQGX-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN COc1c[nH]nc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001628181501 1166049041 /nfs/dbraw/zinc/04/90/41/1166049041.db2.gz QWLXMJOSNDFEQV-UHFFFAOYSA-N 0 2 278.224 1.284 10 5 CDBELN O=C(Nc1ncn(C2CCCCC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839722643 785068119 /nfs/dbraw/zinc/06/81/19/785068119.db2.gz AXQNOHRQIGPDBB-NXEZZACHSA-N 0 2 279.300 1.387 10 5 CDBELN CC1(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])OCCO1 ZINC000803106293 787827805 /nfs/dbraw/zinc/82/78/05/787827805.db2.gz KCEFGIJKZATVJI-UHFFFAOYSA-N 0 2 296.279 1.183 10 5 CDBELN CCC/C=C\[C@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013073 936454647 /nfs/dbraw/zinc/45/46/47/936454647.db2.gz DHXMEWMKDFNRKE-RXNFCKPNSA-N 0 2 280.280 1.956 10 5 CDBELN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1 ZINC000235969349 932815051 /nfs/dbraw/zinc/81/50/51/932815051.db2.gz BXSUYPQWSQGDSL-UHFFFAOYSA-N 0 2 279.231 1.721 10 5 CDBELN C/C=C/[C@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001466629116 969981134 /nfs/dbraw/zinc/98/11/34/969981134.db2.gz RJJSKPLEXMNLAS-PBKGFPTLSA-N 0 2 252.226 1.176 10 5 CDBELN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(C)(C)O ZINC000611535458 346814934 /nfs/dbraw/zinc/81/49/34/346814934.db2.gz CODHSETWRQODDX-SSDOTTSWSA-N 0 2 268.269 1.190 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600446719 342209689 /nfs/dbraw/zinc/20/96/89/342209689.db2.gz OMFQQOMMATZXGT-NMSKTSORSA-N 0 2 294.307 1.842 10 5 CDBELN O=C(NCCC1(CO)CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000593878449 342850879 /nfs/dbraw/zinc/85/08/79/342850879.db2.gz AYFPBMKLKSPZCX-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN C[C@@H]1CCC[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])O1 ZINC000598217288 343735721 /nfs/dbraw/zinc/73/57/21/343735721.db2.gz ULMVZQPSOLMARX-NXEZZACHSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc([N+](=O)[O-])ccc1O ZINC000598312785 343763866 /nfs/dbraw/zinc/76/38/66/343763866.db2.gz SAKZOQIPNFQDSN-NWDGAFQWSA-N 0 2 292.291 1.334 10 5 CDBELN O=C(N[C@@H]1CCC[C@H]1CCO)c1cc(O)ccc1[N+](=O)[O-] ZINC000354810166 360173876 /nfs/dbraw/zinc/17/38/76/360173876.db2.gz BOOBFXRLHBYBCD-JOYOIKCWSA-N 0 2 294.307 1.581 10 5 CDBELN COC(=O)Cc1c(O)ccc([N+](=O)[O-])c1Br ZINC000575712128 373973802 /nfs/dbraw/zinc/97/38/02/373973802.db2.gz GBXPBKOGASJUOO-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](O)CC1 ZINC000378795483 377302863 /nfs/dbraw/zinc/30/28/63/377302863.db2.gz QHISJKJJJLTTCW-SECBINFHSA-N 0 2 280.280 1.287 10 5 CDBELN O=C(NCC1=CCOCC1)c1cc([N+](=O)[O-])ccc1O ZINC000452814873 252178800 /nfs/dbraw/zinc/17/88/00/252178800.db2.gz HXLMAXZCVXLXLY-UHFFFAOYSA-N 0 2 278.264 1.377 10 5 CDBELN C[C@H]1C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000401857876 390566971 /nfs/dbraw/zinc/56/69/71/390566971.db2.gz OVGZMHVAPMUBBR-WCBMZHEXSA-N 0 2 280.280 1.143 10 5 CDBELN O=C(NCC1(CCO)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000188029515 390947865 /nfs/dbraw/zinc/94/78/65/390947865.db2.gz XYYUJHKXVDXBME-UHFFFAOYSA-N 0 2 280.280 1.193 10 5 CDBELN CCc1nnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000227877475 140188708 /nfs/dbraw/zinc/18/87/08/140188708.db2.gz DECQGHGTKASGHK-UHFFFAOYSA-N 0 2 294.292 1.967 10 5 CDBELN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560657 140239601 /nfs/dbraw/zinc/23/96/01/140239601.db2.gz FOAXZKLJPALQJH-PWSUYJOCSA-N 0 2 280.280 1.334 10 5 CDBELN O=C(Nc1cccnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236563477 140241631 /nfs/dbraw/zinc/24/16/31/140241631.db2.gz WJQJLBWKAVMCQB-UHFFFAOYSA-N 0 2 259.221 1.948 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000230178347 280114874 /nfs/dbraw/zinc/11/48/74/280114874.db2.gz VJJQLZIASFMJRY-UMNHJUIQSA-N 0 2 292.291 1.143 10 5 CDBELN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(O)ccc1[N+](=O)[O-] ZINC000560691100 290514896 /nfs/dbraw/zinc/51/48/96/290514896.db2.gz FVPUWDLIHVOUFO-BZBKMWRSSA-N 0 2 262.265 1.829 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOCC12CCC2 ZINC000374012901 304550028 /nfs/dbraw/zinc/55/00/28/304550028.db2.gz XCRYZHDCHXQFCE-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000017328308 300194144 /nfs/dbraw/zinc/19/41/44/300194144.db2.gz NMYKQRWJGJRTFY-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN CNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cn[nH]c2)c1 ZINC000050655855 522643215 /nfs/dbraw/zinc/64/32/15/522643215.db2.gz YAPXTRYSEHYACY-UHFFFAOYSA-N 0 2 297.296 1.160 10 5 CDBELN CC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](O)C(C)C ZINC000413978497 535882998 /nfs/dbraw/zinc/88/29/98/535882998.db2.gz PRDPNNARHKKYEO-GXFFZTMASA-N 0 2 296.323 1.826 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(CO)nc1 ZINC001632236144 1166337922 /nfs/dbraw/zinc/33/79/22/1166337922.db2.gz BDWJXTKWWRZUPT-UHFFFAOYSA-N 0 2 289.247 1.440 10 5 CDBELN COc1ccc([S@](C)(=O)=NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000925973453 795704695 /nfs/dbraw/zinc/70/46/95/795704695.db2.gz PWKHEJCYVAXNTE-HZNYWTHISA-N 0 2 298.320 1.344 10 5 CDBELN COc1ccc([S@](C)(=O)=NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000925973453 795704738 /nfs/dbraw/zinc/70/47/38/795704738.db2.gz PWKHEJCYVAXNTE-HZNYWTHISA-N 0 2 298.320 1.344 10 5 CDBELN CC[C@@](C)(O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001556081340 964995239 /nfs/dbraw/zinc/99/52/39/964995239.db2.gz SMSQWHMXZBBROA-LLVKDONJSA-N 0 2 254.242 1.400 10 5 CDBELN COC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)C ZINC001558513383 965303797 /nfs/dbraw/zinc/30/37/97/965303797.db2.gz PRQAFBWPYZLWCE-SNVBAGLBSA-N 0 2 296.323 1.949 10 5 CDBELN Cc1nn(C)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436868103 362002119 /nfs/dbraw/zinc/00/21/19/362002119.db2.gz GBGPVIDYMBVVPR-UHFFFAOYSA-N 0 2 290.279 1.903 10 5 CDBELN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000600520336 342229710 /nfs/dbraw/zinc/22/97/10/342229710.db2.gz FJCATSJJUWBQRJ-CABZTGNLSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@]12COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000598222622 343736826 /nfs/dbraw/zinc/73/68/26/343736826.db2.gz AWQAFQDCUFSHCN-XPTSAGLGSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000598314199 343764352 /nfs/dbraw/zinc/76/43/52/343764352.db2.gz WFUKHPFFLVKDBA-VXGBXAGGSA-N 0 2 292.291 1.334 10 5 CDBELN C[C@@H]1C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271283065 191048764 /nfs/dbraw/zinc/04/87/64/191048764.db2.gz OJQQMXSKBIASOZ-HTQZYQBOSA-N 0 2 250.254 1.686 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](C2CC2)C1 ZINC000364505650 363034336 /nfs/dbraw/zinc/03/43/36/363034336.db2.gz OKUPQHXESVKUBA-ZDUSSCGKSA-N 0 2 292.291 1.551 10 5 CDBELN Cc1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000119003983 357213787 /nfs/dbraw/zinc/21/37/87/357213787.db2.gz GLQSYULAMRJSEX-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN COC(=O)C[C@@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000290620595 357235200 /nfs/dbraw/zinc/23/52/00/357235200.db2.gz XFJMPNVVRFRGAR-QMMMGPOBSA-N 0 2 296.279 1.828 10 5 CDBELN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000412718036 240334400 /nfs/dbraw/zinc/33/44/00/240334400.db2.gz MDKFGYJERIJOKI-YPMHNXCESA-N 0 2 296.323 1.826 10 5 CDBELN COC(=O)Cc1cc(Br)cc(O)c1[N+](=O)[O-] ZINC000575712401 373973167 /nfs/dbraw/zinc/97/31/67/373973167.db2.gz KXHZREIAPWRHED-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC12CCOCC2 ZINC000375894785 374521602 /nfs/dbraw/zinc/52/16/02/374521602.db2.gz GNICQYJHAZRBHF-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN O=C(Cn1ccccc1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000347315991 375500836 /nfs/dbraw/zinc/50/08/36/375500836.db2.gz UASWRWDJEQFQEU-UHFFFAOYSA-N 0 2 289.247 1.101 10 5 CDBELN COCCOC[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353262143 375592635 /nfs/dbraw/zinc/59/26/35/375592635.db2.gz SLJUEEWRHXVPPX-SECBINFHSA-N 0 2 298.295 1.082 10 5 CDBELN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000354768448 375748484 /nfs/dbraw/zinc/74/84/84/375748484.db2.gz GFZYERKKTKPVJO-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN C[C@@H]1C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000527181908 392975346 /nfs/dbraw/zinc/97/53/46/392975346.db2.gz HQUOALAQHHPQPZ-OCAPTIKFSA-N 0 2 250.254 1.923 10 5 CDBELN O=C(NCc1ccc(=O)[nH]c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346362803 153155375 /nfs/dbraw/zinc/15/53/75/153155375.db2.gz DXYRYWPOGXVBOW-UHFFFAOYSA-N 0 2 289.247 1.331 10 5 CDBELN COC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000354199989 156320459 /nfs/dbraw/zinc/32/04/59/156320459.db2.gz JWLHMBUAGWYSTJ-NSHDSACASA-N 0 2 280.280 1.455 10 5 CDBELN C[C@@H]1COC[C@H](C)N1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283164678 297151380 /nfs/dbraw/zinc/15/13/80/297151380.db2.gz UFDVPGRQTFYVDU-DTORHVGOSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(NCCOCC1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552154321 290054872 /nfs/dbraw/zinc/05/48/72/290054872.db2.gz BUBDZRQBJHTWDV-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283164683 297147830 /nfs/dbraw/zinc/14/78/30/297147830.db2.gz UFDVPGRQTFYVDU-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN CC(F)(F)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000584283557 327216680 /nfs/dbraw/zinc/21/66/80/327216680.db2.gz HFTDMHABNJAPOZ-UHFFFAOYSA-N 0 2 260.196 1.685 10 5 CDBELN CNc1ccc(S(=O)(=O)Nc2cnoc2)c([N+](=O)[O-])c1 ZINC000061685931 522637054 /nfs/dbraw/zinc/63/70/54/522637054.db2.gz SMZVDLDKNHWDRT-UHFFFAOYSA-N 0 2 298.280 1.425 10 5 CDBELN CC[C@@H](C[C@@H](C)O)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001636053455 1166646480 /nfs/dbraw/zinc/64/64/80/1166646480.db2.gz IAXBUJIQSMLHQO-BDAKNGLRSA-N 0 2 282.296 1.580 10 5 CDBELN O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC001637150186 1166729630 /nfs/dbraw/zinc/72/96/30/1166729630.db2.gz JRKXBZPDXQBOQQ-VXGBXAGGSA-N 0 2 292.291 1.455 10 5 CDBELN COc1cccc2c1nc(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])n2C ZINC000839727913 936922031 /nfs/dbraw/zinc/92/20/31/936922031.db2.gz GZQNGJWFPWWZSI-VXNVDRBHSA-N 0 2 290.279 1.186 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1=COCCO1 ZINC000776196424 926357959 /nfs/dbraw/zinc/35/79/59/926357959.db2.gz ZBFDSZRIVGBLCG-UHFFFAOYSA-N 0 2 266.209 1.127 10 5 CDBELN CC1(O)CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000796986081 937318471 /nfs/dbraw/zinc/31/84/71/937318471.db2.gz WLWFIKGRKYCXMB-UHFFFAOYSA-N 0 2 294.307 1.724 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(CO)CCOCC1 ZINC001447271852 966736876 /nfs/dbraw/zinc/73/68/76/966736876.db2.gz XWOKUUDKVRAFEJ-UHFFFAOYSA-N 0 2 296.279 1.028 10 5 CDBELN O=C(Nn1ccccc1=O)c1csc([N+](=O)[O-])c1 ZINC001472536952 970658961 /nfs/dbraw/zinc/65/89/61/970658961.db2.gz CVGDZOIWSINLRU-UHFFFAOYSA-N 0 2 265.250 1.202 10 5 CDBELN C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586797600 342469797 /nfs/dbraw/zinc/46/97/97/342469797.db2.gz SDZJATRTYXZVSR-ZJUUUORDSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@H]1SCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592905860 342747824 /nfs/dbraw/zinc/74/78/24/342747824.db2.gz YPXVINMCJNDDSB-VXNVDRBHSA-N 0 2 282.321 1.924 10 5 CDBELN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[NH2+]CCO1 ZINC000595892925 343182372 /nfs/dbraw/zinc/18/23/72/343182372.db2.gz SKZPHGFFGGSPCM-HNNXBMFYSA-N 0 2 293.367 1.794 10 5 CDBELN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1 ZINC000436830450 362249557 /nfs/dbraw/zinc/24/95/57/362249557.db2.gz DFFVPRNZRFCXFW-JTQLQIEISA-N 0 2 280.280 1.551 10 5 CDBELN C[C@@]12COC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000598222627 343736925 /nfs/dbraw/zinc/73/69/25/343736925.db2.gz AYZJXCMTPWPMMS-YMTOWFKASA-N 0 2 292.291 1.409 10 5 CDBELN O=C(NC1(CF)CCOCC1)c1cc([N+](=O)[O-])ccc1O ZINC000456062845 362890938 /nfs/dbraw/zinc/89/09/38/362890938.db2.gz QXWFCUNVNODPNW-UHFFFAOYSA-N 0 2 298.270 1.549 10 5 CDBELN O=[N+]([O-])c1ccc(-c2nc(-c3ccncn3)no2)cc1O ZINC000338270184 359108677 /nfs/dbraw/zinc/10/86/77/359108677.db2.gz MPWBWPJMSSWNNM-UHFFFAOYSA-N 0 2 285.219 1.807 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1 ZINC000367538702 363957875 /nfs/dbraw/zinc/95/78/75/363957875.db2.gz RQULAGYHTALQEE-CYBMUJFWSA-N 0 2 292.291 1.551 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H](CCCO)C1 ZINC000457152452 365436239 /nfs/dbraw/zinc/43/62/39/365436239.db2.gz XLSUAANDQMIQQF-JTQLQIEISA-N 0 2 294.307 1.535 10 5 CDBELN CC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](O)C(C)C ZINC000413978501 241002803 /nfs/dbraw/zinc/00/28/03/241002803.db2.gz PRDPNNARHKKYEO-ZWNOBZJWSA-N 0 2 296.323 1.826 10 5 CDBELN NC(=O)c1c(O)ccc(Br)c1[N+](=O)[O-] ZINC000575691519 373862807 /nfs/dbraw/zinc/86/28/07/373862807.db2.gz NPIKYOZRPBYKLY-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN COC(=O)CCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275094002 374238369 /nfs/dbraw/zinc/23/83/69/374238369.db2.gz ITSKEFATHNABOE-UHFFFAOYSA-N 0 2 282.252 1.582 10 5 CDBELN COC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456957950 252460416 /nfs/dbraw/zinc/46/04/16/252460416.db2.gz IKSWFOKJOXZTSY-JTQLQIEISA-N 0 2 294.307 1.942 10 5 CDBELN O=C(NCCc1cnccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354549983 375723408 /nfs/dbraw/zinc/72/34/08/375723408.db2.gz XYGWDJDMZUITJZ-UHFFFAOYSA-N 0 2 288.263 1.063 10 5 CDBELN Cc1nnc(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000427716971 247182045 /nfs/dbraw/zinc/18/20/45/247182045.db2.gz CWJVIQOJJHPRAG-UHFFFAOYSA-N 0 2 294.292 1.737 10 5 CDBELN CC(C)C[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281051086 195083823 /nfs/dbraw/zinc/08/38/23/195083823.db2.gz QWJGZFUPKXSORP-SECBINFHSA-N 0 2 282.296 1.437 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000217316595 390961338 /nfs/dbraw/zinc/96/13/38/390961338.db2.gz GNIYCYUUOBXSIB-QMMMGPOBSA-N 0 2 282.321 1.878 10 5 CDBELN C[C@@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000408055471 391179336 /nfs/dbraw/zinc/17/93/36/391179336.db2.gz UPDXUVCNOAVABC-GFCCVEGCSA-N 0 2 268.244 1.875 10 5 CDBELN CC[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000421962846 392947463 /nfs/dbraw/zinc/94/74/63/392947463.db2.gz HHYDSFFTWKUKTA-GXSJLCMTSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(NCC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000230182550 140208409 /nfs/dbraw/zinc/20/84/09/140208409.db2.gz SWBVBNINXMYOFT-SECBINFHSA-N 0 2 280.280 1.457 10 5 CDBELN CO[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000234797948 140231977 /nfs/dbraw/zinc/23/19/77/140231977.db2.gz LREJEHBESHHXGE-NWDGAFQWSA-N 0 2 294.307 1.844 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](CO)C1 ZINC000236497067 140240446 /nfs/dbraw/zinc/24/04/46/140240446.db2.gz SJHQYPDVZFVCQT-SECBINFHSA-N 0 2 280.280 1.145 10 5 CDBELN Cc1nnc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]1 ZINC000343366400 152141169 /nfs/dbraw/zinc/14/11/69/152141169.db2.gz OKLIEKCFNIGFSW-ZCFIWIBFSA-N 0 2 291.267 1.218 10 5 CDBELN CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000352708087 155383493 /nfs/dbraw/zinc/38/34/93/155383493.db2.gz VAMSNLGFHNSTBZ-MWLCHTKSSA-N 0 2 294.307 1.940 10 5 CDBELN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184808947 297151048 /nfs/dbraw/zinc/15/10/48/297151048.db2.gz YKARVBHLIUVDIR-DTORHVGOSA-N 0 2 280.280 1.550 10 5 CDBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000280975748 300197708 /nfs/dbraw/zinc/19/77/08/300197708.db2.gz OVIHOXPBKGOIOM-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN Cc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000183915453 323350257 /nfs/dbraw/zinc/35/02/57/323350257.db2.gz SBGOYWZVGGKDHG-UHFFFAOYSA-N 0 2 289.247 1.549 10 5 CDBELN C[C@@H]1C(=O)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001636558699 1166683706 /nfs/dbraw/zinc/68/37/06/1166683706.db2.gz VVNHWDDITUBLOL-MRVPVSSYSA-N 0 2 278.264 1.494 10 5 CDBELN CC(C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1c[nH]nn1 ZINC001638891876 1166881726 /nfs/dbraw/zinc/88/17/26/1166881726.db2.gz NKMPIMWEBKJVPE-UHFFFAOYSA-N 0 2 291.267 1.084 10 5 CDBELN O=C(Nc1ccnn1C1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840312817 812895277 /nfs/dbraw/zinc/89/52/77/812895277.db2.gz VHBRWPCKALGNQW-NXEZZACHSA-N 0 2 264.285 1.602 10 5 CDBELN CC(C)C[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000797229666 813828016 /nfs/dbraw/zinc/82/80/16/813828016.db2.gz BNHCYMBJTXHUIB-JTQLQIEISA-N 0 2 282.296 1.437 10 5 CDBELN Nc1ccnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001556081447 964994635 /nfs/dbraw/zinc/99/46/35/964994635.db2.gz XJYYVATWRPJWIX-UHFFFAOYSA-N 0 2 274.236 1.530 10 5 CDBELN O=c1[nH]nc([C@@H]2CCCN(c3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC000588045157 342491658 /nfs/dbraw/zinc/49/16/58/342491658.db2.gz XCFQZYMWPLJURQ-MRVPVSSYSA-N 0 2 290.283 1.198 10 5 CDBELN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCC(F)(F)F ZINC000594758517 342955045 /nfs/dbraw/zinc/95/50/45/342955045.db2.gz SAEFWQMFRBSCRO-UHFFFAOYSA-N 0 2 299.230 1.221 10 5 CDBELN CN(Cc1cnccn1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436968765 362157310 /nfs/dbraw/zinc/15/73/10/362157310.db2.gz VJFNKUPHSNXZQD-UHFFFAOYSA-N 0 2 288.263 1.363 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(COC2)C1 ZINC000598403500 343790415 /nfs/dbraw/zinc/79/04/15/343790415.db2.gz AKWGOHHQQFKENF-UHFFFAOYSA-N 0 2 278.264 1.163 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CC(F)C2)C1 ZINC000611078804 346600524 /nfs/dbraw/zinc/60/05/24/346600524.db2.gz YGPSBJYNZHFFPR-UHFFFAOYSA-N 0 2 280.255 1.875 10 5 CDBELN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)nc1 ZINC000613976007 347964779 /nfs/dbraw/zinc/96/47/79/347964779.db2.gz FPBLUXAEEYBCEE-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN C[C@@]1(F)CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000295209510 199403507 /nfs/dbraw/zinc/40/35/07/199403507.db2.gz AIBVBANRAXHGDJ-SNVBAGLBSA-N 0 2 256.237 1.282 10 5 CDBELN CC1(C)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000232782968 140224683 /nfs/dbraw/zinc/22/46/83/140224683.db2.gz QFUNDVRMASVIFK-JTQLQIEISA-N 0 2 250.254 1.829 10 5 CDBELN CC(C)[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330604603 203028107 /nfs/dbraw/zinc/02/81/07/203028107.db2.gz LJQQGDRJYRJZBH-CYBMUJFWSA-N 0 2 294.307 1.797 10 5 CDBELN COC(=O)c1cc(Br)c(O)cc1[N+](=O)[O-] ZINC000575712815 373973403 /nfs/dbraw/zinc/97/34/03/373973403.db2.gz SEYZDIOVVBZNRD-UHFFFAOYSA-N 0 2 276.042 1.850 10 5 CDBELN O=C(Nc1ccnc2ccnn21)c1cc(O)ccc1[N+](=O)[O-] ZINC000352975830 375559156 /nfs/dbraw/zinc/55/91/56/375559156.db2.gz HXRBKHNWGDSBDX-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)[C@H](C)O1 ZINC000438417996 392075413 /nfs/dbraw/zinc/07/54/13/392075413.db2.gz IBEATMRJFNWDIK-UTLUCORTSA-N 0 2 294.307 1.938 10 5 CDBELN O=C(N[C@H]1CCSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316859 140163599 /nfs/dbraw/zinc/16/35/99/140163599.db2.gz FQQAGLJEVGOJSS-ZETCQYMHSA-N 0 2 268.294 1.536 10 5 CDBELN CC1(CO)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330610468 281576468 /nfs/dbraw/zinc/57/64/68/281576468.db2.gz UOYSWJAEDJOBKQ-UHFFFAOYSA-N 0 2 294.307 1.535 10 5 CDBELN O=C(NCC1(CCO)CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000160172859 292779208 /nfs/dbraw/zinc/77/92/08/292779208.db2.gz LVEJOEJWTMKXKN-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN C[C@H]1COCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000278601923 300356339 /nfs/dbraw/zinc/35/63/39/300356339.db2.gz QXQGZDVVXNGZLY-GZMMTYOYSA-N 0 2 280.280 1.455 10 5 CDBELN CSc1cc[nH+]cc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001630578794 1166216701 /nfs/dbraw/zinc/21/67/01/1166216701.db2.gz TVYGRVNDKKVDOW-UHFFFAOYSA-N 0 2 279.281 1.687 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@]12CCOC2 ZINC001643042032 1167221307 /nfs/dbraw/zinc/22/13/07/1167221307.db2.gz RENNLZYJNYPVHL-CYBMUJFWSA-N 0 2 278.264 1.305 10 5 CDBELN CC(C)C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)COC1 ZINC001295971877 954776306 /nfs/dbraw/zinc/77/63/06/954776306.db2.gz IWBGCBJKVWFMFG-UHFFFAOYSA-N 0 2 280.280 1.912 10 5 CDBELN C/C=C\[C@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001466629118 969981754 /nfs/dbraw/zinc/98/17/54/969981754.db2.gz RJJSKPLEXMNLAS-ZMWSMAPVSA-N 0 2 252.226 1.176 10 5 CDBELN C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586797599 342469843 /nfs/dbraw/zinc/46/98/43/342469843.db2.gz SDZJATRTYXZVSR-VHSXEESVSA-N 0 2 294.307 1.845 10 5 CDBELN CC[C@@H](C)C[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592874189 342742758 /nfs/dbraw/zinc/74/27/58/342742758.db2.gz PIZPBDDONYPMEX-NXEZZACHSA-N 0 2 296.323 1.827 10 5 CDBELN CC1(F)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000619420168 342216263 /nfs/dbraw/zinc/21/62/63/342216263.db2.gz ZNRMEEVWBGESSP-UHFFFAOYSA-N 0 2 254.217 1.484 10 5 CDBELN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cn[nH]c1 ZINC000436958016 362154130 /nfs/dbraw/zinc/15/41/30/362154130.db2.gz CEVOMEALQQQEGO-ZETCQYMHSA-N 0 2 276.252 1.515 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)C1=O ZINC000598115058 343716889 /nfs/dbraw/zinc/71/68/89/343716889.db2.gz YRMHEAIYVMFYBJ-RKDXNWHRSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)[C@H]1O ZINC000598185905 343730813 /nfs/dbraw/zinc/73/08/13/343730813.db2.gz IWOZMJPGKIQXBM-WOFXILAISA-N 0 2 294.307 1.389 10 5 CDBELN COC(=O)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271227801 191014222 /nfs/dbraw/zinc/01/42/22/191014222.db2.gz AAGIDAYBYGTZDZ-UHFFFAOYSA-N 0 2 296.279 1.374 10 5 CDBELN Cc1ncc([N+](=O)[O-])cc1C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000341201389 366529207 /nfs/dbraw/zinc/52/92/07/366529207.db2.gz WEXMIGIZOYDGDF-UHFFFAOYSA-N 0 2 299.290 1.640 10 5 CDBELN C[C@@H]1CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436709481 359270370 /nfs/dbraw/zinc/27/03/70/359270370.db2.gz NQCWOXFKBBGGAG-GMSGAONNSA-N 0 2 250.254 1.829 10 5 CDBELN CO[C@H]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354527842 359404479 /nfs/dbraw/zinc/40/44/79/359404479.db2.gz QSYSNGYRWRGZOB-RNCFNFMXSA-N 0 2 294.307 1.845 10 5 CDBELN CC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](C)O ZINC000456224826 364038771 /nfs/dbraw/zinc/03/87/71/364038771.db2.gz IZFXKEJQZZIVCV-APPZFPTMSA-N 0 2 268.269 1.190 10 5 CDBELN C[C@H]1[C@@H](O)CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000385109508 368097978 /nfs/dbraw/zinc/09/79/78/368097978.db2.gz CQTSMPWGQYTIFL-UFBFGSQYSA-N 0 2 280.280 1.286 10 5 CDBELN CN(CCCCCO)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000227071174 375429623 /nfs/dbraw/zinc/42/96/23/375429623.db2.gz DOACKEZOMHNERO-UHFFFAOYSA-N 0 2 282.296 1.535 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H]1C1CC1 ZINC000452998270 252243190 /nfs/dbraw/zinc/24/31/90/252243190.db2.gz VLORYWHNWOWYEQ-NSHDSACASA-N 0 2 262.265 1.925 10 5 CDBELN COCC[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280865788 195006703 /nfs/dbraw/zinc/00/67/03/195006703.db2.gz DWEZTDBPXPSSGY-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN C[C@@H]1CC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000398089721 391638759 /nfs/dbraw/zinc/63/87/59/391638759.db2.gz WZBLHXZARVYGGQ-PSASIEDQSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@@]1(F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354481734 391920567 /nfs/dbraw/zinc/92/05/67/391920567.db2.gz AHTHAFDAFRIWFX-GFCCVEGCSA-N 0 2 268.244 1.875 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000280720535 393152331 /nfs/dbraw/zinc/15/23/31/393152331.db2.gz HOTJSICMUQYPNT-MRVPVSSYSA-N 0 2 266.253 1.161 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000217316654 140163658 /nfs/dbraw/zinc/16/36/58/140163658.db2.gz QKXZZASNEUFRDL-BDAKNGLRSA-N 0 2 280.280 1.455 10 5 CDBELN O=C(NCCc1nccs1)c1cccc(O)c1[N+](=O)[O-] ZINC000343281076 152100344 /nfs/dbraw/zinc/10/03/44/152100344.db2.gz YGXDPUGIXRXLGP-UHFFFAOYSA-N 0 2 293.304 1.729 10 5 CDBELN CN(Cc1cnccn1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343492247 152201811 /nfs/dbraw/zinc/20/18/11/152201811.db2.gz GRIAGGQILKXKKU-UHFFFAOYSA-N 0 2 288.263 1.363 10 5 CDBELN Cn1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1=O ZINC000346372942 153159647 /nfs/dbraw/zinc/15/96/47/153159647.db2.gz YZDXOGTYYBBUDI-UHFFFAOYSA-N 0 2 289.247 1.251 10 5 CDBELN CCC(O)(CC)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346376129 153160262 /nfs/dbraw/zinc/16/02/62/153160262.db2.gz QIMRIGFVNIGAOJ-UHFFFAOYSA-N 0 2 282.296 1.581 10 5 CDBELN CN(C)C(=O)C1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000355901187 157278987 /nfs/dbraw/zinc/27/89/87/157278987.db2.gz VVLXKOUHQGACNE-UHFFFAOYSA-N 0 2 293.279 1.107 10 5 CDBELN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1O ZINC000008191038 170323378 /nfs/dbraw/zinc/32/33/78/170323378.db2.gz AMXFCEIJLIYFMA-NXEZZACHSA-N 0 2 290.275 1.980 10 5 CDBELN CCC[N@H+](CC(=O)[O-])Cc1nc2ccccn2c1[N+](=O)[O-] ZINC000038021493 174001053 /nfs/dbraw/zinc/00/10/53/174001053.db2.gz MMWXLVMIULRYLJ-UHFFFAOYSA-N 0 2 292.295 1.539 10 5 CDBELN CCC[N@@H+](CC(=O)[O-])Cc1nc2ccccn2c1[N+](=O)[O-] ZINC000038021493 174001057 /nfs/dbraw/zinc/00/10/57/174001057.db2.gz MMWXLVMIULRYLJ-UHFFFAOYSA-N 0 2 292.295 1.539 10 5 CDBELN C[C@H]1CSC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000342301362 300391484 /nfs/dbraw/zinc/39/14/84/300391484.db2.gz COQFZAOEYXNPMC-CBAPKCEASA-N 0 2 282.321 1.782 10 5 CDBELN Nc1ccc(S(=O)(=O)Nc2cccnc2)c([N+](=O)[O-])c1 ZINC000050639002 527499246 /nfs/dbraw/zinc/49/92/46/527499246.db2.gz SAKUIRXLTNZXQQ-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnoc2)cs1 ZINC000768882206 576314684 /nfs/dbraw/zinc/31/46/84/576314684.db2.gz FVYMVJKDUURFHS-UHFFFAOYSA-N 0 2 275.267 1.445 10 5 CDBELN O=C(NCCc1ccoc1)c1ccc([N+](=O)[O-])cc1O ZINC001584661704 1172841990 /nfs/dbraw/zinc/84/19/90/1172841990.db2.gz KKGUCHZRQHVCFE-UHFFFAOYSA-N 0 2 276.248 1.866 10 5 CDBELN Nc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236357078 1178267676 /nfs/dbraw/zinc/26/76/76/1178267676.db2.gz DBKNBHBRXMVACA-UHFFFAOYSA-N 0 2 274.236 1.530 10 5 CDBELN CO[C@H]1CC[C@H]1N(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000724131520 824019234 /nfs/dbraw/zinc/01/92/34/824019234.db2.gz YQMYRUDOSUQKDI-NEPJUHHUSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(Nc1cncc2c1CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855199995 828814583 /nfs/dbraw/zinc/81/45/83/828814583.db2.gz JJNRDYDQOISZJN-ZYHUDNBSSA-N 0 2 261.281 1.564 10 5 CDBELN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1(F)CC1 ZINC000844133139 826510963 /nfs/dbraw/zinc/51/09/63/826510963.db2.gz RTSQIWVHPDCULA-UHFFFAOYSA-N 0 2 291.242 1.821 10 5 CDBELN Cc1c[nH]nc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000813538563 826968549 /nfs/dbraw/zinc/96/85/49/826968549.db2.gz GQXZZBZLYHSASA-UHFFFAOYSA-N 0 2 262.225 1.584 10 5 CDBELN CC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])OCCCO1 ZINC000803196536 827837635 /nfs/dbraw/zinc/83/76/35/827837635.db2.gz VIOVXKXBWYZFLU-UHFFFAOYSA-N 0 2 296.279 1.183 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)CCO1 ZINC001120765636 937833674 /nfs/dbraw/zinc/83/36/74/937833674.db2.gz KJWDOCAQOCAJFY-NXEZZACHSA-N 0 2 294.307 1.940 10 5 CDBELN Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C=O ZINC001295973389 954778546 /nfs/dbraw/zinc/77/85/46/954778546.db2.gz XQTVWQRDWOLPTN-UHFFFAOYSA-N 0 2 289.247 1.704 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(C1)CCOCC2 ZINC000590334573 342536426 /nfs/dbraw/zinc/53/64/26/342536426.db2.gz LLBDITLMYIKORQ-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCCOC1 ZINC000402681358 342032272 /nfs/dbraw/zinc/03/22/72/342032272.db2.gz HZKDXMTYAXGIFP-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600369225 342159960 /nfs/dbraw/zinc/15/99/60/342159960.db2.gz NCHUDKBSIPMNDZ-YPMHNXCESA-N 0 2 280.280 1.598 10 5 CDBELN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OC ZINC000592871299 342742133 /nfs/dbraw/zinc/74/21/33/342742133.db2.gz QCCYIOFBKNDTBZ-MRVPVSSYSA-N 0 2 296.279 1.229 10 5 CDBELN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc([N+](=O)[O-])ccc1O ZINC000436824106 362249421 /nfs/dbraw/zinc/24/94/21/362249421.db2.gz YSQBVYCDEDPXNV-GDGBQDQQSA-N 0 2 262.265 1.829 10 5 CDBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@]1(C)CO ZINC000598440281 343797518 /nfs/dbraw/zinc/79/75/18/343797518.db2.gz GSUGAYNYQCFRQT-LKFCYVNXSA-N 0 2 294.307 1.391 10 5 CDBELN COC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186022964 357603583 /nfs/dbraw/zinc/60/35/83/357603583.db2.gz GTSLJBMVAAZFSX-UHFFFAOYSA-N 0 2 254.242 1.664 10 5 CDBELN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000570168914 359286449 /nfs/dbraw/zinc/28/64/49/359286449.db2.gz PTSIFLSIZNEMCF-BXKDBHETSA-N 0 2 296.323 1.827 10 5 CDBELN Cc1[nH+]ccn1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347791127 359648016 /nfs/dbraw/zinc/64/80/16/359648016.db2.gz UKPZQTFNSOXBBC-UHFFFAOYSA-N 0 2 287.323 1.553 10 5 CDBELN CC/C=C/CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297006374 200059742 /nfs/dbraw/zinc/05/97/42/200059742.db2.gz SAFCCXXQMPQFQU-ONEGZZNKSA-N 0 2 250.254 1.996 10 5 CDBELN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000573127113 365235497 /nfs/dbraw/zinc/23/54/97/365235497.db2.gz UFZQPSWUSGDVBO-JOYOIKCWSA-N 0 2 296.323 1.827 10 5 CDBELN COC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCC1 ZINC000275178005 374691765 /nfs/dbraw/zinc/69/17/65/374691765.db2.gz YJUCTTPOKWTSOJ-UHFFFAOYSA-N 0 2 266.253 1.808 10 5 CDBELN O=C(N[C@H]1CC[C@H](O)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000300295508 376058259 /nfs/dbraw/zinc/05/82/59/376058259.db2.gz OZGAFYOWCGEVJH-KYZUINATSA-N 0 2 280.280 1.334 10 5 CDBELN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000452964007 252226291 /nfs/dbraw/zinc/22/62/91/252226291.db2.gz USWZAYUPRATPLG-BXKDBHETSA-N 0 2 294.307 1.533 10 5 CDBELN CN(Cc1ccccn1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234291549 140229520 /nfs/dbraw/zinc/22/95/20/140229520.db2.gz GYFHCWKGZQAFDB-UHFFFAOYSA-N 0 2 287.275 1.968 10 5 CDBELN O=C(Nc1nc(C2CC2)cs1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000044487549 175180511 /nfs/dbraw/zinc/18/05/11/175180511.db2.gz VOMZNOZRDNTUPM-SVRRBLITSA-N 0 2 253.283 1.624 10 5 CDBELN CC1(C)COC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000456530174 281291244 /nfs/dbraw/zinc/29/12/44/281291244.db2.gz BJJIZXBOHQJSJA-NSHDSACASA-N 0 2 280.280 1.455 10 5 CDBELN CC1(C)COC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456529753 281291264 /nfs/dbraw/zinc/29/12/64/281291264.db2.gz BGNSHXVABWNTON-JTQLQIEISA-N 0 2 280.280 1.455 10 5 CDBELN CC1(C)OCC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295757395 281408368 /nfs/dbraw/zinc/40/83/68/281408368.db2.gz BPDBPVCIXSNLAD-JTQLQIEISA-N 0 2 280.280 1.598 10 5 CDBELN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000570168917 316924918 /nfs/dbraw/zinc/92/49/18/316924918.db2.gz PTSIFLSIZNEMCF-SKDRFNHKSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000903826684 626105190 /nfs/dbraw/zinc/10/51/90/626105190.db2.gz VDOLFNQBYPVUSC-FNCVBFRFSA-N 0 2 253.258 1.485 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccn(C)n1 ZINC001626192435 1163973551 /nfs/dbraw/zinc/97/35/51/1163973551.db2.gz KRVNMHOMLZGTIU-MRVPVSSYSA-N 0 2 290.279 1.525 10 5 CDBELN COc1nccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC001632236452 1166337561 /nfs/dbraw/zinc/33/75/61/1166337561.db2.gz POQZZGAZYBEXEU-UHFFFAOYSA-N 0 2 290.235 1.351 10 5 CDBELN CC(C)CCc1nnc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC000855191289 833052877 /nfs/dbraw/zinc/05/28/77/833052877.db2.gz XWILTFZXMWVUAZ-HTQZYQBOSA-N 0 2 284.341 1.730 10 5 CDBELN O=C(Nc1ccnn1CC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000871192482 830554292 /nfs/dbraw/zinc/55/42/92/830554292.db2.gz LOIBNRFTJGATMM-NXEZZACHSA-N 0 2 264.285 1.287 10 5 CDBELN O=C(N[C@@H]1CCn2cncc21)c1ccc([N+](=O)[O-])cc1O ZINC001557694261 965198666 /nfs/dbraw/zinc/19/86/66/965198666.db2.gz XBMNVXMHLRENEQ-SNVBAGLBSA-N 0 2 288.263 1.372 10 5 CDBELN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccnc1N1CCCC1 ZINC001355222681 969093792 /nfs/dbraw/zinc/09/37/92/969093792.db2.gz HCEJQYWAKZRTEA-ZYHUDNBSSA-N 0 2 290.323 1.310 10 5 CDBELN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n(C)n1 ZINC001471976011 970525813 /nfs/dbraw/zinc/52/58/13/970525813.db2.gz AXDXMAGZGNRYLA-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN C[C@@H]1C[C@H](CO)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600772752 342248953 /nfs/dbraw/zinc/24/89/53/342248953.db2.gz RYWRGVDWGDGTID-NXEZZACHSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(NCC1CSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000597744628 343625736 /nfs/dbraw/zinc/62/57/36/343625736.db2.gz AATUKXBRVHANOF-UHFFFAOYSA-N 0 2 268.294 1.393 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000598182002 343730176 /nfs/dbraw/zinc/73/01/76/343730176.db2.gz ABDBJCAJZREFJU-IUCAKERBSA-N 0 2 294.307 1.389 10 5 CDBELN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCOC1 ZINC000292712868 198385621 /nfs/dbraw/zinc/38/56/21/198385621.db2.gz FIVIRELURHTOFL-LLVKDONJSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N(CCO)C1CCC1 ZINC000295188446 199395835 /nfs/dbraw/zinc/39/58/35/199395835.db2.gz JFUIRBBWROSXQA-UHFFFAOYSA-N 0 2 280.280 1.287 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@](F)(CO)C1 ZINC000286782671 358003571 /nfs/dbraw/zinc/00/35/71/358003571.db2.gz LDROKFMPFRDEGY-CYBMUJFWSA-N 0 2 298.270 1.237 10 5 CDBELN C[C@@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCOC1 ZINC000361660359 358408902 /nfs/dbraw/zinc/40/89/02/358408902.db2.gz KEVZQRZFKUAXHA-GFCCVEGCSA-N 0 2 266.253 1.666 10 5 CDBELN COC[C@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361659712 358409079 /nfs/dbraw/zinc/40/90/79/358409079.db2.gz ITYVPQSWVRYQQS-MRVPVSSYSA-N 0 2 268.269 1.912 10 5 CDBELN CC1(C)SC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436724464 359517249 /nfs/dbraw/zinc/51/72/49/359517249.db2.gz PXXZXAXQJWCRRZ-JTQLQIEISA-N 0 2 282.321 1.924 10 5 CDBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nncs2)s1 ZINC000160584908 364064784 /nfs/dbraw/zinc/06/47/84/364064784.db2.gz VSGHKCSUIOPANY-UHFFFAOYSA-N 0 2 292.323 1.309 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](CO)C1 ZINC000280789024 375022540 /nfs/dbraw/zinc/02/25/40/375022540.db2.gz OCUVTPGPNWZPHI-VIFPVBQESA-N 0 2 280.280 1.145 10 5 CDBELN O=C(N[C@@H]1CCSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316857 375612315 /nfs/dbraw/zinc/61/23/15/375612315.db2.gz FQQAGLJEVGOJSS-SSDOTTSWSA-N 0 2 268.294 1.536 10 5 CDBELN CC[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000280705864 194937284 /nfs/dbraw/zinc/93/72/84/194937284.db2.gz FUKNHQWZGIZMMG-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN CCC[C@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCOC1 ZINC000288090565 197001925 /nfs/dbraw/zinc/00/19/25/197001925.db2.gz ZXMRXYZIRIEUCS-AWEZNQCLSA-N 0 2 294.307 1.989 10 5 CDBELN CC1(C)CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)O1 ZINC000187332092 390432725 /nfs/dbraw/zinc/43/27/25/390432725.db2.gz PWSMARWUQWJBOX-SNVBAGLBSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H]1CC[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000399221042 391672596 /nfs/dbraw/zinc/67/25/96/391672596.db2.gz IXMNBYPLGICYQT-SCZZXKLOSA-N 0 2 280.280 1.286 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000280975751 393154114 /nfs/dbraw/zinc/15/41/14/393154114.db2.gz OVIHOXPBKGOIOM-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN CC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCOCC1 ZINC000280900053 393154493 /nfs/dbraw/zinc/15/44/93/393154493.db2.gz DRODWWHKCMAXHG-UHFFFAOYSA-N 0 2 280.280 1.599 10 5 CDBELN CCC[C@H](CCO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354056256 156243099 /nfs/dbraw/zinc/24/30/99/156243099.db2.gz GBTAUVKDIIMRRS-SNVBAGLBSA-N 0 2 296.323 1.829 10 5 CDBELN O=c1[nH]nc(Sc2ncc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000192749509 227279100 /nfs/dbraw/zinc/27/91/00/227279100.db2.gz CUKCVBBYROATME-UHFFFAOYSA-N 0 2 273.661 1.618 10 5 CDBELN C[C@@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000278601926 297139027 /nfs/dbraw/zinc/13/90/27/297139027.db2.gz QXQGZDVVXNGZLY-KCJUWKMLSA-N 0 2 280.280 1.455 10 5 CDBELN C[C@@H](CO)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184879694 524810992 /nfs/dbraw/zinc/81/09/92/524810992.db2.gz ZSCSUAYAUQXJRM-JGVFFNPUSA-N 0 2 268.269 1.047 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@]12CCOC2 ZINC000372478351 527235984 /nfs/dbraw/zinc/23/59/84/527235984.db2.gz QOCOXBYAXJEDGF-RNCFNFMXSA-N 0 2 278.264 1.666 10 5 CDBELN CCC/C=C\C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000750761215 577004394 /nfs/dbraw/zinc/00/43/94/577004394.db2.gz QLMUHVJTFKHWOC-PLNGDYQASA-N 0 2 299.308 1.151 10 5 CDBELN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCO1 ZINC001639754161 1166967710 /nfs/dbraw/zinc/96/77/10/1166967710.db2.gz KAYKMYZZJZBEGM-AWEZNQCLSA-N 0 2 294.307 1.989 10 5 CDBELN CCc1nnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC001637881701 1166795648 /nfs/dbraw/zinc/79/56/48/1166795648.db2.gz OALAKASWDTUHKW-UHFFFAOYSA-N 0 2 294.292 1.967 10 5 CDBELN CCn1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc2cccnc21 ZINC000839779296 835884928 /nfs/dbraw/zinc/88/49/28/835884928.db2.gz NAROZXOPHCXHQR-VXNVDRBHSA-N 0 2 275.268 1.055 10 5 CDBELN CC(C)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cn1 ZINC000844641666 842435405 /nfs/dbraw/zinc/43/54/05/842435405.db2.gz NPBVVYDCKKJVGC-GHMZBOCLSA-N 0 2 281.287 1.875 10 5 CDBELN O=c1[nH]nc(C2CCN(c3sccc3[N+](=O)[O-])CC2)[nH]1 ZINC000588037853 342491105 /nfs/dbraw/zinc/49/11/05/342491105.db2.gz KFNREOFRJMHQPR-UHFFFAOYSA-N 0 2 295.324 1.864 10 5 CDBELN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn[nH]n1 ZINC000600175787 341982977 /nfs/dbraw/zinc/98/29/77/341982977.db2.gz CIAYEZYAAHEJJV-JTQLQIEISA-N 0 2 275.312 1.824 10 5 CDBELN C[C@@H]1SCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592905859 342747811 /nfs/dbraw/zinc/74/78/11/342747811.db2.gz YPXVINMCJNDDSB-IONNQARKSA-N 0 2 282.321 1.924 10 5 CDBELN CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1 ZINC000597443857 343538592 /nfs/dbraw/zinc/53/85/92/343538592.db2.gz YQULDRQTKCHGEV-PELKAZGASA-N 0 2 296.279 1.290 10 5 CDBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)C1O ZINC000598182794 343730245 /nfs/dbraw/zinc/73/02/45/343730245.db2.gz CTGCCHOWECVQES-IUCAKERBSA-N 0 2 294.307 1.389 10 5 CDBELN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1O ZINC000598308048 343762540 /nfs/dbraw/zinc/76/25/40/343762540.db2.gz LINJTJMARZBCAP-NEPJUHHUSA-N 0 2 292.291 1.334 10 5 CDBELN O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000598314198 343764325 /nfs/dbraw/zinc/76/43/25/343764325.db2.gz WFUKHPFFLVKDBA-RYUDHWBXSA-N 0 2 292.291 1.334 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H]2COC[C@H]2C1 ZINC000598394801 343784566 /nfs/dbraw/zinc/78/45/66/343784566.db2.gz NHSDELBVLXYUAO-NXEZZACHSA-N 0 2 292.291 1.409 10 5 CDBELN CC(C)C[C@@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186663380 357673716 /nfs/dbraw/zinc/67/37/16/357673716.db2.gz LVFZJAWDQZLWTO-NSHDSACASA-N 0 2 296.323 1.779 10 5 CDBELN CN(CC1CC(O)C1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000135395416 358426529 /nfs/dbraw/zinc/42/65/29/358426529.db2.gz BGQCUWUJOWPDPN-UHFFFAOYSA-N 0 2 280.280 1.143 10 5 CDBELN NC(=O)c1c(O)cc([N+](=O)[O-])cc1Br ZINC000575692270 373866684 /nfs/dbraw/zinc/86/66/84/373866684.db2.gz WPWDNIMFSZROJV-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN COC(=O)Cc1cc([N+](=O)[O-])c(O)cc1Br ZINC000575712425 373973155 /nfs/dbraw/zinc/97/31/55/373973155.db2.gz LSLWWYGESKYFSC-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN C[C@H]1COCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000278424933 374842520 /nfs/dbraw/zinc/84/25/20/374842520.db2.gz GKGHJPAPGFWPTP-WCBMZHEXSA-N 0 2 280.280 1.455 10 5 CDBELN CC(C)(CO)CCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280991875 195060306 /nfs/dbraw/zinc/06/03/06/195060306.db2.gz LXCUEYQOAWKIRK-UHFFFAOYSA-N 0 2 296.323 1.829 10 5 CDBELN C[C@H]1C[C@@H](O)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000457000895 391389910 /nfs/dbraw/zinc/38/99/10/391389910.db2.gz MMGZORWDTWKERP-WCBMZHEXSA-N 0 2 280.280 1.143 10 5 CDBELN O=c1[nH]nc(SCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000187635090 140081362 /nfs/dbraw/zinc/08/13/62/140081362.db2.gz MTGTTYTWVIAHSR-UHFFFAOYSA-N 0 2 252.255 1.711 10 5 CDBELN O=c1cc[nH]cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000071221728 176087834 /nfs/dbraw/zinc/08/78/34/176087834.db2.gz YOBYKTSYASBNNS-UHFFFAOYSA-N 0 2 295.276 1.084 10 5 CDBELN O=C(NCCOCC1CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000564776679 293412024 /nfs/dbraw/zinc/41/20/24/293412024.db2.gz VIDFPKRAWARZJS-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCO1 ZINC000092546623 297874048 /nfs/dbraw/zinc/87/40/48/297874048.db2.gz GILSIQJOAOONOO-LBPRGKRZSA-N 0 2 266.253 1.808 10 5 CDBELN Nc1ccc(S(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000050636169 527499416 /nfs/dbraw/zinc/49/94/16/527499416.db2.gz MIKWRIDGWCBPIZ-UHFFFAOYSA-N 0 2 293.304 1.978 10 5 CDBELN Nc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2)c1 ZINC000050636175 527501785 /nfs/dbraw/zinc/50/17/85/527501785.db2.gz QTVGYMFXBZDKBY-UHFFFAOYSA-N 0 2 293.304 1.978 10 5 CDBELN CO[C@@]1(c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CCSC1 ZINC000903865135 626123367 /nfs/dbraw/zinc/12/33/67/626123367.db2.gz CEGRTMLMYSPIKK-XSSZXYGBSA-N 0 2 271.298 1.181 10 5 CDBELN CC[C@H](O)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001632236375 1166338271 /nfs/dbraw/zinc/33/82/71/1166338271.db2.gz LVIPIMGLPUTFKI-XVKPBYJWSA-N 0 2 268.269 1.646 10 5 CDBELN O=C(Nc1cc(C(F)(F)F)n[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704203 847254342 /nfs/dbraw/zinc/25/43/42/847254342.db2.gz PLMGIBXFPOUNRR-QWWZWVQMSA-N 0 2 264.163 1.032 10 5 CDBELN Cc1cc(=O)[nH]c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001142815247 937073323 /nfs/dbraw/zinc/07/33/23/937073323.db2.gz PWCMFHHNBDXTBK-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN O=c1[nH]nc(C2CCN(c3cccnc3[N+](=O)[O-])CC2)[nH]1 ZINC000588037827 342491174 /nfs/dbraw/zinc/49/11/74/342491174.db2.gz FZZJXOAICBUNPY-UHFFFAOYSA-N 0 2 290.283 1.198 10 5 CDBELN CCCC[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000592856057 342738320 /nfs/dbraw/zinc/73/83/20/342738320.db2.gz SAUCPXZCCAJHIA-AWEZNQCLSA-N 0 2 296.323 1.971 10 5 CDBELN O=C(NCC1CCC(O)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598340895 343770266 /nfs/dbraw/zinc/77/02/66/343770266.db2.gz QAHJNCOSSJDCLA-UHFFFAOYSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000598440138 343797488 /nfs/dbraw/zinc/79/74/88/343797488.db2.gz DPPTYFPKPKBXBU-LKFCYVNXSA-N 0 2 294.307 1.391 10 5 CDBELN O=C(CCN1CCCC1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000612413406 347152695 /nfs/dbraw/zinc/15/26/95/347152695.db2.gz QSASYQKRGUGHHU-UHFFFAOYSA-N 0 2 293.279 1.251 10 5 CDBELN O=C(NC1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560560 363238939 /nfs/dbraw/zinc/23/89/39/363238939.db2.gz RQBBTZZCCXMRSY-UHFFFAOYSA-N 0 2 266.253 1.209 10 5 CDBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCS1 ZINC000185184378 357519035 /nfs/dbraw/zinc/51/90/35/357519035.db2.gz UOYUJUSMPJXLOB-QMMMGPOBSA-N 0 2 282.321 1.878 10 5 CDBELN COCCCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280828106 375025992 /nfs/dbraw/zinc/02/59/92/375025992.db2.gz SNOJDAUTQQUOFU-UHFFFAOYSA-N 0 2 268.269 1.457 10 5 CDBELN C[N@@H+]1CCO[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211509156 375680550 /nfs/dbraw/zinc/68/05/50/375680550.db2.gz CAVOZVFTPKGWLC-JTQLQIEISA-N 0 2 295.295 1.036 10 5 CDBELN C[N@H+]1CCO[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211509156 375680558 /nfs/dbraw/zinc/68/05/58/375680558.db2.gz CAVOZVFTPKGWLC-JTQLQIEISA-N 0 2 295.295 1.036 10 5 CDBELN COc1ccc(-c2noc([C@H]3C[C@H]3[N+](=O)[O-])n2)c(OC)c1 ZINC000069873952 379004460 /nfs/dbraw/zinc/00/44/60/379004460.db2.gz ZROHZYNMPQAWBH-VHSXEESVSA-N 0 2 291.263 1.886 10 5 CDBELN CC[C@](C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000323192264 391357384 /nfs/dbraw/zinc/35/73/84/391357384.db2.gz CUPMDYIVINFWMX-CYBMUJFWSA-N 0 2 282.296 1.845 10 5 CDBELN O=C(NCc1cccnn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316954 140163372 /nfs/dbraw/zinc/16/33/72/140163372.db2.gz IYIRCJPSLACLPR-UHFFFAOYSA-N 0 2 274.236 1.020 10 5 CDBELN CN(Cc1cnn(C)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234289288 140229768 /nfs/dbraw/zinc/22/97/68/140229768.db2.gz SXXPVLKQSLZJQY-UHFFFAOYSA-N 0 2 290.279 1.306 10 5 CDBELN Cn1cc[nH+]c1CNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000071276315 176107044 /nfs/dbraw/zinc/10/70/44/176107044.db2.gz MMZQAKIFKLGECA-UHFFFAOYSA-N 0 2 276.252 1.639 10 5 CDBELN CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000331320900 287369705 /nfs/dbraw/zinc/36/97/05/287369705.db2.gz LNGIIXAAEHSXFY-WDEREUQCSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000414019275 297712597 /nfs/dbraw/zinc/71/25/97/297712597.db2.gz CDIJDSNIVSUFCL-NXEZZACHSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000385109502 323700780 /nfs/dbraw/zinc/70/07/80/323700780.db2.gz CQTSMPWGQYTIFL-PELKAZGASA-N 0 2 280.280 1.286 10 5 CDBELN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCc2cccnc21 ZINC000872289710 698114737 /nfs/dbraw/zinc/11/47/37/698114737.db2.gz AFCJSLVDXFGAHW-GHMZBOCLSA-N 0 2 261.281 1.416 10 5 CDBELN CO[C@@H]1CC[C@H](C)N(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000870725787 849535915 /nfs/dbraw/zinc/53/59/15/849535915.db2.gz RZFOZISCIOXMJD-GXSJLCMTSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(Cc1cncc(O)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC001295970682 954776344 /nfs/dbraw/zinc/77/63/44/954776344.db2.gz KCXDYTGXPSDIOG-UHFFFAOYSA-N 0 2 289.247 1.582 10 5 CDBELN Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC001458661363 969332601 /nfs/dbraw/zinc/33/26/01/969332601.db2.gz DULFZTAIIADXSP-INEUFUBQSA-N 0 2 278.190 1.043 10 5 CDBELN O=C(NCC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600169187 341982474 /nfs/dbraw/zinc/98/24/74/341982474.db2.gz AAAVNTCUJHRICS-SNVBAGLBSA-N 0 2 294.307 1.847 10 5 CDBELN CC1(C)OC[C@H]2C[C@]21NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600255657 341989737 /nfs/dbraw/zinc/98/97/37/341989737.db2.gz JXYIOIAXOZARPT-OTYXRUKQSA-N 0 2 292.291 1.598 10 5 CDBELN CC(C)n1cnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000593784663 342839342 /nfs/dbraw/zinc/83/93/42/342839342.db2.gz UCZXFUYTLNVKST-UHFFFAOYSA-N 0 2 291.267 1.725 10 5 CDBELN CO[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000600800382 342250028 /nfs/dbraw/zinc/25/00/28/342250028.db2.gz KIUGOCNMTDKREE-WAAGHKOSSA-N 0 2 280.280 1.455 10 5 CDBELN COC[C@H](CCNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000597894946 343660640 /nfs/dbraw/zinc/66/06/40/343660640.db2.gz WVNIVUIHGQNKPF-VIFPVBQESA-N 0 2 298.295 1.082 10 5 CDBELN C[C@]12COC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000598222621 343737115 /nfs/dbraw/zinc/73/71/15/343737115.db2.gz AWQAFQDCUFSHCN-OTYXRUKQSA-N 0 2 292.291 1.409 10 5 CDBELN C[C@@]12COC[C@@H]1CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000598225100 343737735 /nfs/dbraw/zinc/73/77/35/343737735.db2.gz LKXXTBSZKBNOFR-LKFCYVNXSA-N 0 2 292.291 1.409 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000598113113 343716552 /nfs/dbraw/zinc/71/65/52/343716552.db2.gz LKRGSBYPMFCKQO-RKDXNWHRSA-N 0 2 292.291 1.598 10 5 CDBELN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598302110 343758726 /nfs/dbraw/zinc/75/87/26/343758726.db2.gz DQZKFDAKEAXDKI-NWDGAFQWSA-N 0 2 292.291 1.334 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000598440282 343797980 /nfs/dbraw/zinc/79/79/80/343797980.db2.gz GSUGAYNYQCFRQT-OTYXRUKQSA-N 0 2 294.307 1.391 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](F)C1 ZINC000515491424 362320570 /nfs/dbraw/zinc/32/05/70/362320570.db2.gz AVLFQZHXXFHESA-MRVPVSSYSA-N 0 2 268.244 1.875 10 5 CDBELN COC(=O)CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070882555 349116973 /nfs/dbraw/zinc/11/69/73/349116973.db2.gz FLFGROSMQZUTMF-UHFFFAOYSA-N 0 2 296.279 1.374 10 5 CDBELN CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1 ZINC000292954867 198475360 /nfs/dbraw/zinc/47/53/60/198475360.db2.gz VPBDBQGQGGTGFD-LLVKDONJSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(NCCC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000236580236 140241378 /nfs/dbraw/zinc/24/13/78/140241378.db2.gz QUYGEIRHNNXYKA-UHFFFAOYSA-N 0 2 278.186 1.983 10 5 CDBELN C[C@@H](CO)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182122591 357409289 /nfs/dbraw/zinc/40/92/89/357409289.db2.gz JFCLJWUDJFMFEU-YUMQZZPRSA-N 0 2 268.269 1.047 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc2ncnn21 ZINC000361658088 358408126 /nfs/dbraw/zinc/40/81/26/358408126.db2.gz XFYPUMVMRSPIRJ-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN CC[C@H](OC)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275115611 192920207 /nfs/dbraw/zinc/92/02/07/192920207.db2.gz MEPOSGFFOAVLKL-JTQLQIEISA-N 0 2 254.242 1.664 10 5 CDBELN C[C@@H]1CCO[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546725 374698210 /nfs/dbraw/zinc/69/82/10/374698210.db2.gz HIJATYWDVDQGJC-HQJQHLMTSA-N 0 2 266.253 1.664 10 5 CDBELN CN(C[C@@H]1CCCCO1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280660675 375010614 /nfs/dbraw/zinc/01/06/14/375010614.db2.gz APMNKOYIBYLXJG-JTQLQIEISA-N 0 2 294.307 1.942 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H]2CCC[C@H]21 ZINC000353268954 375592564 /nfs/dbraw/zinc/59/25/64/375592564.db2.gz TUSBVZIRKLVMAY-LDYMZIIASA-N 0 2 262.265 1.925 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]1C1CC1 ZINC000452491487 252078027 /nfs/dbraw/zinc/07/80/27/252078027.db2.gz VKLSBTTYQCSSNS-NSHDSACASA-N 0 2 262.265 1.925 10 5 CDBELN CCn1nccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000471945816 252835179 /nfs/dbraw/zinc/83/51/79/252835179.db2.gz ZLGAKIBJELQHCW-UHFFFAOYSA-N 0 2 296.308 1.612 10 5 CDBELN C[C@H]1C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CO1 ZINC000489969948 253020704 /nfs/dbraw/zinc/02/07/04/253020704.db2.gz FJJLPLMJMOTXOW-YUMQZZPRSA-N 0 2 266.253 1.664 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000217316206 140163008 /nfs/dbraw/zinc/16/30/08/140163008.db2.gz ZVIYZVQCSSNTAC-QMMMGPOBSA-N 0 2 266.253 1.161 10 5 CDBELN O=C(NCc1cccnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236562000 140241341 /nfs/dbraw/zinc/24/13/41/140241341.db2.gz RAOJZKAFNJZFID-UHFFFAOYSA-N 0 2 273.248 1.625 10 5 CDBELN CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000313433494 149243613 /nfs/dbraw/zinc/24/36/13/149243613.db2.gz CEHPWCKLSHNPOR-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN O=c1[nH]nc(Sc2ncnc3sc([N+](=O)[O-])cc32)[nH]1 ZINC000343104540 152032962 /nfs/dbraw/zinc/03/29/62/152032962.db2.gz PSWIYJBNYZGVMR-UHFFFAOYSA-N 0 2 296.293 1.574 10 5 CDBELN CC[C@H](O)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353699019 156020617 /nfs/dbraw/zinc/02/06/17/156020617.db2.gz AIFXFBGTFJXOPO-VIFPVBQESA-N 0 2 282.296 1.581 10 5 CDBELN CC[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000421996945 287307179 /nfs/dbraw/zinc/30/71/79/287307179.db2.gz WEZRTFQOANASEP-NXEZZACHSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H]1C[C@H](O)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000401843893 280734073 /nfs/dbraw/zinc/73/40/73/280734073.db2.gz IUKHHXWVPSWCEB-SCZZXKLOSA-N 0 2 280.280 1.143 10 5 CDBELN CO[C@@](C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000336848074 294074711 /nfs/dbraw/zinc/07/47/11/294074711.db2.gz HGUOMYMGVJOELY-AWEZNQCLSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@@H]1CSC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342355361 297187482 /nfs/dbraw/zinc/18/74/82/297187482.db2.gz SXWXFYZHBUBYAC-XCBNKYQSSA-N 0 2 282.321 1.782 10 5 CDBELN CS[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000383061749 323658871 /nfs/dbraw/zinc/65/88/71/323658871.db2.gz QPEDXNBVUDZQOK-SECBINFHSA-N 0 2 282.321 1.878 10 5 CDBELN O=C(NCCOCC1CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000581700328 324815535 /nfs/dbraw/zinc/81/55/35/324815535.db2.gz SIYIYZOAWSGNSP-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN Cc1[nH+]c[nH]c1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000339226241 527213834 /nfs/dbraw/zinc/21/38/34/527213834.db2.gz JXPMYOPWJBEQIS-UHFFFAOYSA-N 0 2 276.252 1.262 10 5 CDBELN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cnn(CCF)c2)no1 ZINC000924403620 617469453 /nfs/dbraw/zinc/46/94/53/617469453.db2.gz KGCQTSKIZJHXCM-HTQZYQBOSA-N 0 2 267.220 1.035 10 5 CDBELN O=C(Nc1nc(C2CCOCC2)ns1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000863266977 710485088 /nfs/dbraw/zinc/48/50/88/710485088.db2.gz TUOFIXVCDSBTEW-HTQZYQBOSA-N 0 2 298.324 1.036 10 5 CDBELN CCN1CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001556080972 964992783 /nfs/dbraw/zinc/99/27/83/964992783.db2.gz BDWNYYSLLASCJT-SNVBAGLBSA-N 0 2 265.269 1.333 10 5 CDBELN CCC[C@@H](O)CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001653024197 1171498778 /nfs/dbraw/zinc/49/87/78/1171498778.db2.gz DGSPCZOWAIXLNQ-SNVBAGLBSA-N 0 2 282.296 1.581 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(CCO)CC1 ZINC000400940284 342451235 /nfs/dbraw/zinc/45/12/35/342451235.db2.gz PMNGSBHNCNHQNV-UHFFFAOYSA-N 0 2 294.307 1.535 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(C1)CCOCC2 ZINC000590334378 342536213 /nfs/dbraw/zinc/53/62/13/342536213.db2.gz KADCYPKJSFXYIP-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](CCF)C1 ZINC000600495968 342228085 /nfs/dbraw/zinc/22/80/85/342228085.db2.gz NDBNYBRLFNEDJN-JTQLQIEISA-N 0 2 298.270 1.501 10 5 CDBELN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000600522154 342229896 /nfs/dbraw/zinc/22/98/96/342229896.db2.gz MSBHSSJDSJKYRL-RNCFNFMXSA-N 0 2 292.291 1.598 10 5 CDBELN Cn1cc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1 ZINC000597443258 343538643 /nfs/dbraw/zinc/53/86/43/343538643.db2.gz RRXMBWMTMSOEOR-UHFFFAOYSA-N 0 2 291.267 1.000 10 5 CDBELN C[C@@H]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)O1 ZINC000598214275 343734652 /nfs/dbraw/zinc/73/46/52/343734652.db2.gz SOJMMQFIDNGGIR-KOLCDFICSA-N 0 2 294.307 1.988 10 5 CDBELN CC1(C)OCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598453796 343803538 /nfs/dbraw/zinc/80/35/38/343803538.db2.gz JXIYPLRYPSNGIV-VIFPVBQESA-N 0 2 294.307 1.845 10 5 CDBELN C[C@H]1CC[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])O1 ZINC000457372906 366163718 /nfs/dbraw/zinc/16/37/18/366163718.db2.gz QRVPPSFVLHEYQD-IUCAKERBSA-N 0 2 280.280 1.598 10 5 CDBELN COCC[C@@H](COC)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336848513 356385053 /nfs/dbraw/zinc/38/50/53/356385053.db2.gz KQEKKOQHCKSOSE-VIFPVBQESA-N 0 2 298.295 1.082 10 5 CDBELN CCCCOCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000232996885 535311867 /nfs/dbraw/zinc/31/18/67/535311867.db2.gz NYXZUGNFXBCQMW-UHFFFAOYSA-N 0 2 282.296 1.847 10 5 CDBELN O=[N+]([O-])c1ccc(OCc2n[nH]c(=S)o2)cc1 ZINC000064871661 361279653 /nfs/dbraw/zinc/27/96/53/361279653.db2.gz LYDVQUYOJXTRMX-UHFFFAOYSA-N 0 2 253.239 1.846 10 5 CDBELN COCc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)no1 ZINC000183910354 238512551 /nfs/dbraw/zinc/51/25/51/238512551.db2.gz KAJIKZDSEWWYTO-UHFFFAOYSA-N 0 2 293.235 1.687 10 5 CDBELN CC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](C)O ZINC000456224829 364038506 /nfs/dbraw/zinc/03/85/06/364038506.db2.gz IZFXKEJQZZIVCV-IONNQARKSA-N 0 2 268.269 1.190 10 5 CDBELN CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330599916 203022664 /nfs/dbraw/zinc/02/26/64/203022664.db2.gz GSLKBJGHQYAKSD-PRHODGIISA-N 0 2 280.280 1.143 10 5 CDBELN O=C(N=c1ccc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000531628624 374504643 /nfs/dbraw/zinc/50/46/43/374504643.db2.gz ZFKNFBBEOHZTQJ-UHFFFAOYSA-N 0 2 285.263 1.331 10 5 CDBELN O=C(Nc1c[nH]nc1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000376528322 374563061 /nfs/dbraw/zinc/56/30/61/374563061.db2.gz OJHRNSZVPRFZPZ-MWLCHTKSSA-N 0 2 272.264 1.680 10 5 CDBELN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000397679760 391632000 /nfs/dbraw/zinc/63/20/00/391632000.db2.gz SJWCIDAKZWGUIO-AYMMMOKOSA-N 0 2 262.265 1.829 10 5 CDBELN Cc1ccc([N+](=O)[O-])c(Sc2n[nH]c(=O)[nH]2)n1 ZINC000193532216 393188988 /nfs/dbraw/zinc/18/89/88/393188988.db2.gz DNJXKVVNNCFLNE-UHFFFAOYSA-N 0 2 253.243 1.273 10 5 CDBELN C[C@H]1COCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286791798 397983509 /nfs/dbraw/zinc/98/35/09/397983509.db2.gz JSGVBFYFJRLMNV-UWVGGRQHSA-N 0 2 294.307 1.703 10 5 CDBELN CSC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000235182668 148700923 /nfs/dbraw/zinc/70/09/23/148700923.db2.gz IWIINGQGAKAHIT-UHFFFAOYSA-N 0 2 282.321 1.926 10 5 CDBELN C[C@@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436714783 296665435 /nfs/dbraw/zinc/66/54/35/296665435.db2.gz VDBCUOJMUSOGRA-XCBNKYQSSA-N 0 2 250.254 1.829 10 5 CDBELN CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000352708085 155382585 /nfs/dbraw/zinc/38/25/85/155382585.db2.gz VAMSNLGFHNSTBZ-GXSJLCMTSA-N 0 2 294.307 1.940 10 5 CDBELN C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CS1 ZINC000413957142 297282315 /nfs/dbraw/zinc/28/23/15/297282315.db2.gz NFMHKSZIBOOYDM-HTQZYQBOSA-N 0 2 282.321 1.924 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC12CCOCC2 ZINC000368975938 304528732 /nfs/dbraw/zinc/52/87/32/304528732.db2.gz YXVKKOZTGKVBIJ-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN C[C@@H](CO)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354519778 524767534 /nfs/dbraw/zinc/76/75/34/524767534.db2.gz IAPCZZWDFKJTJO-SECBINFHSA-N 0 2 282.296 1.439 10 5 CDBELN COCCCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234590949 536495061 /nfs/dbraw/zinc/49/50/61/536495061.db2.gz VWOFMLXVGBQTDX-UHFFFAOYSA-N 0 2 268.269 1.409 10 5 CDBELN O=C(C[C@H]1COC(=O)C1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776204470 617607382 /nfs/dbraw/zinc/60/73/82/617607382.db2.gz OKJCGZBESJWZPW-SSDOTTSWSA-N 0 2 280.236 1.192 10 5 CDBELN CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC001641039278 1167072188 /nfs/dbraw/zinc/07/21/88/1167072188.db2.gz XLLAOWBCYYEZAO-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2nccc2C1 ZINC001646021956 1167614022 /nfs/dbraw/zinc/61/40/22/1167614022.db2.gz RCNGRNIFTJXXOX-UHFFFAOYSA-N 0 2 288.263 1.153 10 5 CDBELN CCn1ccnc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001570261221 1170123995 /nfs/dbraw/zinc/12/39/95/1170123995.db2.gz CUYYHBPEDZXULE-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN O=C(NOC1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000812787271 712155659 /nfs/dbraw/zinc/15/56/59/712155659.db2.gz KQHZOHWUADAYOV-UHFFFAOYSA-N 0 2 252.226 1.514 10 5 CDBELN Cc1ccc([S@@](C)(=O)=NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001120700546 912366868 /nfs/dbraw/zinc/36/68/68/912366868.db2.gz QKUNHTOULSKJJX-XCJKDKRRSA-N 0 2 282.321 1.644 10 5 CDBELN Cc1ccc([S@@](C)(=O)=NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001120700546 912366888 /nfs/dbraw/zinc/36/68/88/912366888.db2.gz QKUNHTOULSKJJX-XCJKDKRRSA-N 0 2 282.321 1.644 10 5 CDBELN O=C(NCCOC1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000691231082 937213274 /nfs/dbraw/zinc/21/32/74/937213274.db2.gz YCBKALFRPDQABD-UHFFFAOYSA-N 0 2 280.280 1.599 10 5 CDBELN O=C(NCC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000436901773 362106448 /nfs/dbraw/zinc/10/64/48/362106448.db2.gz ICYNEMWIMAWVPS-VIFPVBQESA-N 0 2 280.280 1.457 10 5 CDBELN O=C(NCc1noc([C@@H]2C[C@@H]2[N+](=O)[O-])n1)c1ccccc1 ZINC000075609912 342448084 /nfs/dbraw/zinc/44/80/84/342448084.db2.gz ZIYBZDRTYDHWKV-ZJUUUORDSA-N 0 2 288.263 1.132 10 5 CDBELN C[C@H](Cn1cccn1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000342948326 362193115 /nfs/dbraw/zinc/19/31/15/362193115.db2.gz VPQIPVVSUIGFNS-SECBINFHSA-N 0 2 290.279 1.315 10 5 CDBELN COC1CC(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000597860418 343649414 /nfs/dbraw/zinc/64/94/14/343649414.db2.gz BRPYTXBIDYMUNM-UHFFFAOYSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000598298635 343758416 /nfs/dbraw/zinc/75/84/16/343758416.db2.gz KGDWBTNAJGCNHJ-ZJUUUORDSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(COC2)C1 ZINC000598403913 343790376 /nfs/dbraw/zinc/79/03/76/343790376.db2.gz KAGBOJGHXDACJK-UHFFFAOYSA-N 0 2 278.264 1.163 10 5 CDBELN CO[C@@]1(C)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598457682 343803974 /nfs/dbraw/zinc/80/39/74/343803974.db2.gz FQLJPCKSYWWJBF-PWSUYJOCSA-N 0 2 266.253 1.208 10 5 CDBELN CO[C@](C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000292330345 362396324 /nfs/dbraw/zinc/39/63/24/362396324.db2.gz BZUXBMBPSFSRQU-CQSZACIVSA-N 0 2 294.307 1.845 10 5 CDBELN CO[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@H]1C ZINC000187971581 357830358 /nfs/dbraw/zinc/83/03/58/357830358.db2.gz IJMMAVPRXYRIOW-RNCFNFMXSA-N 0 2 294.307 1.797 10 5 CDBELN C[C@@H]1COCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000278424929 358439040 /nfs/dbraw/zinc/43/90/40/358439040.db2.gz GKGHJPAPGFWPTP-PSASIEDQSA-N 0 2 280.280 1.455 10 5 CDBELN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N=c1cccn[nH]1 ZINC000342269151 358977628 /nfs/dbraw/zinc/97/76/28/358977628.db2.gz BEUBAQIMIUACRN-UHFFFAOYSA-N 0 2 294.217 1.266 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000155950415 237069022 /nfs/dbraw/zinc/06/90/22/237069022.db2.gz RLKZYVWEDIYEDH-UHFFFAOYSA-N 0 2 262.225 1.584 10 5 CDBELN CN(CC1(CO)CC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295431185 370239627 /nfs/dbraw/zinc/23/96/27/370239627.db2.gz DBOREGQXEZEWFH-UHFFFAOYSA-N 0 2 280.280 1.145 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(CCO2)CC1 ZINC000375856479 374519413 /nfs/dbraw/zinc/51/94/13/374519413.db2.gz IPLAAROZKSBAOQ-UHFFFAOYSA-N 0 2 292.291 1.696 10 5 CDBELN O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000069888827 379043313 /nfs/dbraw/zinc/04/33/13/379043313.db2.gz UXVLDPAGMUVDNV-IUCAKERBSA-N 0 2 295.320 1.244 10 5 CDBELN O=C(Nc1nncn1C1CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000285919398 390187068 /nfs/dbraw/zinc/18/70/68/390187068.db2.gz SVSITOYSVQYWNB-UHFFFAOYSA-N 0 2 289.251 1.479 10 5 CDBELN CO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000286014382 390190169 /nfs/dbraw/zinc/19/01/69/390190169.db2.gz NUIJNNXTMVDSRP-DTORHVGOSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(CSc1n[nH]c(=O)[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000361995499 159035543 /nfs/dbraw/zinc/03/55/43/159035543.db2.gz GTJZXBFOYKPFBW-UHFFFAOYSA-N 0 2 295.280 1.149 10 5 CDBELN CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cn[nH]c1 ZINC000050655825 522577440 /nfs/dbraw/zinc/57/74/40/522577440.db2.gz NCABZCDFGDYLJT-UHFFFAOYSA-N 0 2 297.296 1.160 10 5 CDBELN O=C(Nc1nc2cc[nH]cc-2n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000755640781 576953397 /nfs/dbraw/zinc/95/33/97/576953397.db2.gz VTDWKSZRQQVFHE-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN O=C(N=[S@]1(=O)CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000926037222 617347561 /nfs/dbraw/zinc/34/75/61/617347561.db2.gz OKIFIOKJKKMNCJ-HQVAUKCESA-N 0 2 280.305 1.261 10 5 CDBELN O=C(N=[S@]1(=O)CCc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000926037222 617347562 /nfs/dbraw/zinc/34/75/62/617347562.db2.gz OKIFIOKJKKMNCJ-HQVAUKCESA-N 0 2 280.305 1.261 10 5 CDBELN CNc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001567231805 1168631149 /nfs/dbraw/zinc/63/11/49/1168631149.db2.gz GBHOLEFUWAXATG-UHFFFAOYSA-N 0 2 288.263 1.989 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cncc2[nH]cnc21 ZINC001567229951 1168631587 /nfs/dbraw/zinc/63/15/87/1168631587.db2.gz ONMKBBUONJLEIE-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN O=c1[nH]nc(CNc2ccc3cnccc3c2[N+](=O)[O-])[nH]1 ZINC001650832009 1171259942 /nfs/dbraw/zinc/25/99/42/1171259942.db2.gz RHZRLWXDZQTKIF-UHFFFAOYSA-N 0 2 286.251 1.579 10 5 CDBELN CCc1cc(Cl)cnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000876034398 1165796245 /nfs/dbraw/zinc/79/62/45/1165796245.db2.gz IWXZVFNGOPRKPV-RKDXNWHRSA-N 0 2 269.688 1.901 10 5 CDBELN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ncon1 ZINC001635654865 1166608026 /nfs/dbraw/zinc/60/80/26/1166608026.db2.gz CKJLYHXSXRKCSE-ZETCQYMHSA-N 0 2 292.251 1.217 10 5 CDBELN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600520856 342229768 /nfs/dbraw/zinc/22/97/68/342229768.db2.gz SKEUUCGJPADRRH-GWCFXTLKSA-N 0 2 292.291 1.598 10 5 CDBELN CCNC(=O)C(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000453608218 252328646 /nfs/dbraw/zinc/32/86/46/252328646.db2.gz UMICANMOAQRZKE-UHFFFAOYSA-N 0 2 281.312 1.305 10 5 CDBELN CN(CC1=CCCOC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598196916 343727709 /nfs/dbraw/zinc/72/77/09/343727709.db2.gz DQXRULOTJAFDJO-UHFFFAOYSA-N 0 2 292.291 1.719 10 5 CDBELN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cc([N+](=O)[O-])ccc1O ZINC000598312784 343764025 /nfs/dbraw/zinc/76/40/25/343764025.db2.gz SAKZOQIPNFQDSN-NEPJUHHUSA-N 0 2 292.291 1.334 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2COC[C@@H]2C1 ZINC000598395318 343785009 /nfs/dbraw/zinc/78/50/09/343785009.db2.gz PGUVXVKBGYAOJF-QWRGUYRKSA-N 0 2 292.291 1.409 10 5 CDBELN CC1(C)OCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598456239 343803634 /nfs/dbraw/zinc/80/36/34/343803634.db2.gz XPGMWJKBDHEYSJ-JTQLQIEISA-N 0 2 294.307 1.845 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000601829405 344262852 /nfs/dbraw/zinc/26/28/52/344262852.db2.gz HNHWXQHKDFQMBO-DTORHVGOSA-N 0 2 278.264 1.304 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCCC(=O)N1 ZINC000194476292 304003283 /nfs/dbraw/zinc/00/32/83/304003283.db2.gz HAPBYRIMFXNCLE-VIFPVBQESA-N 0 2 293.279 1.298 10 5 CDBELN O=C(N[C@H]1CCCC[C@@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000236569467 363244759 /nfs/dbraw/zinc/24/47/59/363244759.db2.gz FOAXZKLJPALQJH-JQWIXIFHSA-N 0 2 280.280 1.334 10 5 CDBELN COCCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234713836 140230340 /nfs/dbraw/zinc/23/03/40/140230340.db2.gz YTXYHHJQFHKEMB-UHFFFAOYSA-N 0 2 268.269 1.457 10 5 CDBELN CO[C@](C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000336848075 356377193 /nfs/dbraw/zinc/37/71/93/356377193.db2.gz HGUOMYMGVJOELY-CQSZACIVSA-N 0 2 294.307 1.845 10 5 CDBELN O=C(NC1(C(F)F)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436517541 358756977 /nfs/dbraw/zinc/75/69/77/358756977.db2.gz OHUGZHBHKYPYRK-UHFFFAOYSA-N 0 2 272.207 1.828 10 5 CDBELN CC1(C)OCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000295877575 370724625 /nfs/dbraw/zinc/72/46/25/370724625.db2.gz LXBJTYXXIWADSS-LLVKDONJSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H]1C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000457002848 365163800 /nfs/dbraw/zinc/16/38/00/365163800.db2.gz NTADHAOBUZODBP-WCBMZHEXSA-N 0 2 280.280 1.143 10 5 CDBELN CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330750806 203189233 /nfs/dbraw/zinc/18/92/33/203189233.db2.gz BEOABQKQPXCGFP-TVQRCGJNSA-N 0 2 294.307 1.533 10 5 CDBELN CC[C@@H](OC)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275115613 374690045 /nfs/dbraw/zinc/69/00/45/374690045.db2.gz MEPOSGFFOAVLKL-SNVBAGLBSA-N 0 2 254.242 1.664 10 5 CDBELN O=C(NCC1(O)CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000283016446 375109536 /nfs/dbraw/zinc/10/95/36/375109536.db2.gz JNINXRJPCNVALN-UHFFFAOYSA-N 0 2 294.307 1.725 10 5 CDBELN CO[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000356452082 375845510 /nfs/dbraw/zinc/84/55/10/375845510.db2.gz HYOJFLDCBVGDMR-GFCCVEGCSA-N 0 2 280.280 1.455 10 5 CDBELN CC[C@H](O)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281240667 195163405 /nfs/dbraw/zinc/16/34/05/195163405.db2.gz NOLIPGQJHQSMAK-QMMMGPOBSA-N 0 2 268.269 1.191 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnnc1 ZINC000092546174 393113426 /nfs/dbraw/zinc/11/34/26/393113426.db2.gz ORYHGGNBAKGSRE-UHFFFAOYSA-N 0 2 260.209 1.343 10 5 CDBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncccn2)s1 ZINC000185641180 140044714 /nfs/dbraw/zinc/04/47/14/140044714.db2.gz KJJBHAHFEBXDQD-UHFFFAOYSA-N 0 2 286.294 1.247 10 5 CDBELN Cc1nsc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000217316626 140164094 /nfs/dbraw/zinc/16/40/94/140164094.db2.gz YAKNKWKFCVYIHL-UHFFFAOYSA-N 0 2 280.265 1.713 10 5 CDBELN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000180183633 148142719 /nfs/dbraw/zinc/14/27/19/148142719.db2.gz VSCBZLHMKKFNPC-UHFFFAOYSA-N 0 2 290.282 1.149 10 5 CDBELN C[C@H](O)C[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346401174 153171626 /nfs/dbraw/zinc/17/16/26/153171626.db2.gz YFPHYWOLJJPNEV-IUCAKERBSA-N 0 2 282.296 1.437 10 5 CDBELN CC[C@@H](CCO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354060579 156246849 /nfs/dbraw/zinc/24/68/49/156246849.db2.gz FYGXQOQZCURXSJ-QMMMGPOBSA-N 0 2 268.269 1.191 10 5 CDBELN C[N@@H+]1CCc2nc3ccc([N+](=O)[O-])cc3c(C(=O)[O-])c2C1 ZINC000022223712 171379787 /nfs/dbraw/zinc/37/97/87/171379787.db2.gz QNEYYRGOCHRMMO-UHFFFAOYSA-N 0 2 287.275 1.829 10 5 CDBELN C[N@H+]1CCc2nc3ccc([N+](=O)[O-])cc3c(C(=O)[O-])c2C1 ZINC000022223712 171379789 /nfs/dbraw/zinc/37/97/89/171379789.db2.gz QNEYYRGOCHRMMO-UHFFFAOYSA-N 0 2 287.275 1.829 10 5 CDBELN C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000217316835 280088445 /nfs/dbraw/zinc/08/84/45/280088445.db2.gz BKHMLXAEXFHBKE-UFBFGSQYSA-N 0 2 280.280 1.143 10 5 CDBELN Cn1ncc(Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000196692875 1161142861 /nfs/dbraw/zinc/14/28/61/1161142861.db2.gz DHCZMRIQYZBULA-UHFFFAOYSA-N 0 2 296.670 1.940 10 5 CDBELN Nc1ccc(S(=O)(=O)Nc2ccncc2)c([N+](=O)[O-])c1 ZINC000050649702 527499743 /nfs/dbraw/zinc/49/97/43/527499743.db2.gz PNFXPLLHFBUFKL-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN CCn1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC001626551694 1165945056 /nfs/dbraw/zinc/94/50/56/1165945056.db2.gz MWKYPTVJMQGKGB-UHFFFAOYSA-N 0 2 290.279 1.447 10 5 CDBELN Cc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566428742 1168270283 /nfs/dbraw/zinc/27/02/83/1168270283.db2.gz HWVRGFSACKSSNR-RFZPGFLSSA-N 0 2 260.200 1.259 10 5 CDBELN CONC(=O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC001651473311 1171327507 /nfs/dbraw/zinc/32/75/07/1171327507.db2.gz BUBQBCGBHQNAPN-UHFFFAOYSA-N 0 2 259.649 1.338 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nn(C)cc1O ZINC001603110848 1175493338 /nfs/dbraw/zinc/49/33/38/1175493338.db2.gz ZOMCZKTXSJMZAQ-LURJTMIESA-N 0 2 296.308 1.586 10 5 CDBELN COC(C)(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001178515035 915472287 /nfs/dbraw/zinc/47/22/87/915472287.db2.gz CUPNJOZFHXHEGT-MRVPVSSYSA-N 0 2 282.296 1.844 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1coc(CO)c1 ZINC001138013461 936454462 /nfs/dbraw/zinc/45/44/62/936454462.db2.gz OKRSXHBIZCXHDF-UHFFFAOYSA-N 0 2 278.220 1.638 10 5 CDBELN CONC(=O)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001559293586 965431272 /nfs/dbraw/zinc/43/12/72/965431272.db2.gz GPWFIWYGNNDJGF-UHFFFAOYSA-N 0 2 291.210 1.286 10 5 CDBELN Cc1ncc([N+](=O)[O-])n1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001458926508 969367285 /nfs/dbraw/zinc/36/72/85/969367285.db2.gz AEFUZYAWJCAJBW-UHFFFAOYSA-N 0 2 278.224 1.762 10 5 CDBELN C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586797598 342469821 /nfs/dbraw/zinc/46/98/21/342469821.db2.gz SDZJATRTYXZVSR-UWVGGRQHSA-N 0 2 294.307 1.845 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(C1)CCOCC2 ZINC000590334067 342536218 /nfs/dbraw/zinc/53/62/18/342536218.db2.gz AOLMKHBBVMZBIQ-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600439485 342208064 /nfs/dbraw/zinc/20/80/64/342208064.db2.gz HTKKXVOYVPRWCV-LOKDSWTASA-N 0 2 294.307 1.842 10 5 CDBELN C[C@@H]1CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436709483 539043049 /nfs/dbraw/zinc/04/30/49/539043049.db2.gz NQCWOXFKBBGGAG-XCBNKYQSSA-N 0 2 250.254 1.829 10 5 CDBELN CN(C[C@H]1C[C@@H](O)C1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600610700 342238120 /nfs/dbraw/zinc/23/81/20/342238120.db2.gz VWMIGVHNIOFFJR-DTORHVGOSA-N 0 2 280.280 1.143 10 5 CDBELN CO[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000597490995 343556895 /nfs/dbraw/zinc/55/68/95/343556895.db2.gz CFEMKDSDSIGZBH-PRHODGIISA-N 0 2 296.279 1.290 10 5 CDBELN C[C@]12COC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000598232352 343739374 /nfs/dbraw/zinc/73/93/74/343739374.db2.gz PPIDVQCZYSMPAP-YGRLFVJLSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(NN1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000298091309 200330978 /nfs/dbraw/zinc/33/09/78/200330978.db2.gz AZQFDPBOEYLNHC-UHFFFAOYSA-N 0 2 285.250 1.814 10 5 CDBELN Nc1cc(I)c(O)c([N+](=O)[O-])c1 ZINC000575728981 374152472 /nfs/dbraw/zinc/15/24/72/374152472.db2.gz SRHDOZVACQRSIW-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN Cc1nnc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000392134523 375035064 /nfs/dbraw/zinc/03/50/64/375035064.db2.gz JOKGVXVKZYWFJR-UHFFFAOYSA-N 0 2 294.292 1.390 10 5 CDBELN CO[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@@H]1C ZINC000188042196 375388151 /nfs/dbraw/zinc/38/81/51/375388151.db2.gz LNQZSSOJLDHRRM-ZANVPECISA-N 0 2 294.307 1.797 10 5 CDBELN Cc1cnc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000183899779 391329700 /nfs/dbraw/zinc/32/97/00/391329700.db2.gz DYUNNDOKPJXQFU-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN C[C@@]1(O)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000230355808 393234038 /nfs/dbraw/zinc/23/40/38/393234038.db2.gz IHSFFQUSVBTOBM-CQSZACIVSA-N 0 2 294.307 1.678 10 5 CDBELN COc1ccc([N+](=O)[O-])cc1CSc1n[nH]c(=O)[nH]1 ZINC000187628842 140081771 /nfs/dbraw/zinc/08/17/71/140081771.db2.gz FDNOYGRNSVCZQJ-UHFFFAOYSA-N 0 2 282.281 1.719 10 5 CDBELN O=C(NCC[C@H]1CCCCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000229982915 140204431 /nfs/dbraw/zinc/20/44/31/140204431.db2.gz BBBTWLFBFNMNOJ-LLVKDONJSA-N 0 2 294.307 1.989 10 5 CDBELN CC1(C)C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000217316275 281315172 /nfs/dbraw/zinc/31/51/72/281315172.db2.gz QQJWUNQZZYVGLG-VIFPVBQESA-N 0 2 294.307 1.988 10 5 CDBELN CC(C)[C@H](NC=O)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000860735726 678589372 /nfs/dbraw/zinc/58/93/72/678589372.db2.gz HOJRDPFQCCPOHD-NSHDSACASA-N 0 2 281.268 1.010 10 5 CDBELN O=C(NCc1ncccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000702350639 678650795 /nfs/dbraw/zinc/65/07/95/678650795.db2.gz PGEJTXCSOBCIRC-UHFFFAOYSA-N 0 2 274.236 1.020 10 5 CDBELN Cc1n[nH]c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001133906766 1163958307 /nfs/dbraw/zinc/95/83/07/1163958307.db2.gz ALTAKMAVHBGOBN-QWRGUYRKSA-N 0 2 287.279 1.764 10 5 CDBELN O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001642402755 1167172269 /nfs/dbraw/zinc/17/22/69/1167172269.db2.gz GNHHNBDADDXNAB-SECBINFHSA-N 0 2 288.263 1.372 10 5 CDBELN O=C(NN1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000686791215 934198373 /nfs/dbraw/zinc/19/83/73/934198373.db2.gz SVLOTLYHQNJQIA-UHFFFAOYSA-N 0 2 251.242 1.041 10 5 CDBELN NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC001295972733 954776362 /nfs/dbraw/zinc/77/63/62/954776362.db2.gz QMYZQWKWJKFTCX-SFYZADRCSA-N 0 2 293.279 1.141 10 5 CDBELN O=C(NCC[C@@H]1CCCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600166245 341982094 /nfs/dbraw/zinc/98/20/94/341982094.db2.gz XYECQKKUTYRASZ-JTQLQIEISA-N 0 2 294.307 1.847 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(C2CC2)C1 ZINC000589724388 342513226 /nfs/dbraw/zinc/51/32/26/342513226.db2.gz COSPKIRSJLPFMR-UHFFFAOYSA-N 0 2 262.265 1.782 10 5 CDBELN C[C@H](COCC1CC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000593859635 342841807 /nfs/dbraw/zinc/84/18/07/342841807.db2.gz WHTJNBXBULQSJG-SECBINFHSA-N 0 2 294.307 1.845 10 5 CDBELN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCCn2nccc21 ZINC000436964556 362159678 /nfs/dbraw/zinc/15/96/78/362159678.db2.gz RHDWBSAVQBHKHI-UHFFFAOYSA-N 0 2 288.263 1.547 10 5 CDBELN CC1(C)C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CO1 ZINC000597863733 343661485 /nfs/dbraw/zinc/66/14/85/343661485.db2.gz HRZOYNYAGJEAGQ-QMMMGPOBSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)O1 ZINC000598211858 343734177 /nfs/dbraw/zinc/73/41/77/343734177.db2.gz HLKXNTKWSMIQBZ-GXSJLCMTSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000598294697 343757578 /nfs/dbraw/zinc/75/75/78/343757578.db2.gz GUWMUNIZPZDTEG-MNOVXSKESA-N 0 2 292.291 1.334 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000598329504 343759801 /nfs/dbraw/zinc/75/98/01/343759801.db2.gz JMALEWMUUFHOPJ-RKDXNWHRSA-N 0 2 262.265 1.782 10 5 CDBELN C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598786162 343898505 /nfs/dbraw/zinc/89/85/05/343898505.db2.gz RWKKSVLNEWVVDD-VHSXEESVSA-N 0 2 294.307 1.391 10 5 CDBELN O=C(CSc1n[nH]c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000194636238 362822268 /nfs/dbraw/zinc/82/22/68/362822268.db2.gz BSPJZPCYMBZWGB-UHFFFAOYSA-N 0 2 280.265 1.394 10 5 CDBELN CC[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000292610691 198350794 /nfs/dbraw/zinc/35/07/94/198350794.db2.gz XJZQSJTWDOQGFD-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN O=C(NC[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436618915 358879523 /nfs/dbraw/zinc/87/95/23/358879523.db2.gz NACQUFZEPGJBEZ-SECBINFHSA-N 0 2 280.280 1.049 10 5 CDBELN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)(F)F)s1 ZINC000342580366 359119440 /nfs/dbraw/zinc/11/94/40/359119440.db2.gz KUFGUKHUEHRIGZ-UHFFFAOYSA-N 0 2 290.244 1.497 10 5 CDBELN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1 ZINC000166119924 359668024 /nfs/dbraw/zinc/66/80/24/359668024.db2.gz RWELWGAODUYAOO-HQJQHLMTSA-N 0 2 266.253 1.806 10 5 CDBELN CCc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000166162768 359721704 /nfs/dbraw/zinc/72/17/04/359721704.db2.gz YAIIAZVDHWYPFG-UHFFFAOYSA-N 0 2 276.252 1.838 10 5 CDBELN C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235144649 359800303 /nfs/dbraw/zinc/80/03/03/359800303.db2.gz NDCIKHVEJAQPAV-VIFPVBQESA-N 0 2 290.279 1.315 10 5 CDBELN CCn1nncc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000436835348 364821490 /nfs/dbraw/zinc/82/14/90/364821490.db2.gz DDWOZPOXQCYKOD-UHFFFAOYSA-N 0 2 277.240 1.164 10 5 CDBELN C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000413993715 241010742 /nfs/dbraw/zinc/01/07/42/241010742.db2.gz RNDGXDIUSHUFAB-OPRDCNLKSA-N 0 2 294.307 1.844 10 5 CDBELN C[C@H]1[C@H](O)CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000385109507 368098721 /nfs/dbraw/zinc/09/87/21/368098721.db2.gz CQTSMPWGQYTIFL-QPUJVOFHSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](O)CC1 ZINC000378795505 377303207 /nfs/dbraw/zinc/30/32/07/377303207.db2.gz QHISJKJJJLTTCW-VIFPVBQESA-N 0 2 280.280 1.287 10 5 CDBELN O=C(NCC1(O)CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280892103 195017379 /nfs/dbraw/zinc/01/73/79/195017379.db2.gz ZORZTWUBWTYSMD-UHFFFAOYSA-N 0 2 280.280 1.335 10 5 CDBELN CC(C)(C)[C@@H](CCO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280867556 195008580 /nfs/dbraw/zinc/00/85/80/195008580.db2.gz BLOZTSJJKZCIAW-LLVKDONJSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H]1C[C@H](CO)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000421972880 392948766 /nfs/dbraw/zinc/94/87/66/392948766.db2.gz STEHAIBULMFJED-ZJUUUORDSA-N 0 2 294.307 1.391 10 5 CDBELN O=c1[nH]nc(SCc2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000187628962 140081932 /nfs/dbraw/zinc/08/19/32/140081932.db2.gz DWRQCXQFEGBORF-UHFFFAOYSA-N 0 2 270.245 1.850 10 5 CDBELN COCC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315788 140163827 /nfs/dbraw/zinc/16/38/27/140163827.db2.gz AZLUUQSUQJZQPQ-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN CN(Cc1nccn1C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234296616 140229167 /nfs/dbraw/zinc/22/91/67/140229167.db2.gz HPSJQIDZBZUMMB-UHFFFAOYSA-N 0 2 290.279 1.306 10 5 CDBELN Cc1n[nH]c(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n1 ZINC001584912320 1172864235 /nfs/dbraw/zinc/86/42/35/1172864235.db2.gz YTEKSSOZWCFEDN-UHFFFAOYSA-N 0 2 279.231 1.721 10 5 CDBELN CC(C)[C@@H](CO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000345952740 153007605 /nfs/dbraw/zinc/00/76/05/153007605.db2.gz IQVTVSCEBBWACW-SECBINFHSA-N 0 2 282.296 1.295 10 5 CDBELN CC(C)(CCCO)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354453369 156461295 /nfs/dbraw/zinc/46/12/95/156461295.db2.gz JPGYBZYNTBAJSC-UHFFFAOYSA-N 0 2 296.323 1.829 10 5 CDBELN CNc1ncnc(NNc2ccccc2)c1[N+](=O)[O-] ZINC000040595661 174348369 /nfs/dbraw/zinc/34/83/69/174348369.db2.gz QEZVSVCZXPNGSI-UHFFFAOYSA-N 0 2 260.257 1.866 10 5 CDBELN C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000399210481 280720161 /nfs/dbraw/zinc/72/01/61/280720161.db2.gz FXQACPBNTNPXSL-PSASIEDQSA-N 0 2 280.280 1.286 10 5 CDBELN CC[C@H](COC)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234040578 536118596 /nfs/dbraw/zinc/11/85/96/536118596.db2.gz HNGIZIAAHRMWJD-MRVPVSSYSA-N 0 2 268.269 1.455 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2cccc2C1 ZINC001651543909 1171334001 /nfs/dbraw/zinc/33/40/01/1171334001.db2.gz JSHAQFAOFHMRMO-UHFFFAOYSA-N 0 2 287.275 1.758 10 5 CDBELN C[S@](=O)(=NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC001337375452 961149967 /nfs/dbraw/zinc/14/99/67/961149967.db2.gz XZCVFEXWUOFQDW-QVMDTKBZSA-N 0 2 286.284 1.474 10 5 CDBELN C[S@](=O)(=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cc1 ZINC001337375452 961149972 /nfs/dbraw/zinc/14/99/72/961149972.db2.gz XZCVFEXWUOFQDW-QVMDTKBZSA-N 0 2 286.284 1.474 10 5 CDBELN O=C(NCC1CSC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597745596 343626166 /nfs/dbraw/zinc/62/61/66/343626166.db2.gz HUQXZBOIILCSAE-UHFFFAOYSA-N 0 2 268.294 1.393 10 5 CDBELN CCO[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598060700 343699349 /nfs/dbraw/zinc/69/93/49/343699349.db2.gz WHBLNNKTWXDYFT-CZMCAQCFSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)O1 ZINC000598211424 343733584 /nfs/dbraw/zinc/73/35/84/343733584.db2.gz FGXVPMIYFKPGPQ-MWLCHTKSSA-N 0 2 294.307 1.988 10 5 CDBELN CCOc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)co1 ZINC000614272466 348052029 /nfs/dbraw/zinc/05/20/29/348052029.db2.gz YJJNNFOJLVTQDD-UHFFFAOYSA-N 0 2 293.235 1.939 10 5 CDBELN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)n1cncn1 ZINC000166071344 358977479 /nfs/dbraw/zinc/97/74/79/358977479.db2.gz BPKYPIHSFDUMIM-ZETCQYMHSA-N 0 2 277.240 1.092 10 5 CDBELN Cc1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000183321587 189354753 /nfs/dbraw/zinc/35/47/53/189354753.db2.gz RSIIVUACOWQLTG-UHFFFAOYSA-N 0 2 292.251 1.264 10 5 CDBELN CC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](C)O ZINC000456224830 364038739 /nfs/dbraw/zinc/03/87/39/364038739.db2.gz IZFXKEJQZZIVCV-VXNVDRBHSA-N 0 2 268.269 1.190 10 5 CDBELN Cc1sc(C(=O)NN2CCCNC2=O)cc1[N+](=O)[O-] ZINC000272527877 367747502 /nfs/dbraw/zinc/74/75/02/367747502.db2.gz FDJMISRQQCCBKL-UHFFFAOYSA-N 0 2 284.297 1.025 10 5 CDBELN Cc1cnn(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000117987018 374617528 /nfs/dbraw/zinc/61/75/28/374617528.db2.gz UGEIDCRDASTDPL-UHFFFAOYSA-N 0 2 290.279 1.235 10 5 CDBELN C[C@@H](O)C[C@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280715984 375016419 /nfs/dbraw/zinc/01/64/19/375016419.db2.gz BSADDNVVUIYMCK-DTWKUNHWSA-N 0 2 282.296 1.437 10 5 CDBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ncn1 ZINC000547863081 377845724 /nfs/dbraw/zinc/84/57/24/377845724.db2.gz BEJVQMWHSNRHAM-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN C[C@@H]1CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436714780 391940534 /nfs/dbraw/zinc/94/05/34/391940534.db2.gz VDBCUOJMUSOGRA-GMSGAONNSA-N 0 2 250.254 1.829 10 5 CDBELN CCn1nc(C)c([N+](=O)[O-])c1Sc1n[nH]c(=O)[nH]1 ZINC000193533354 393189066 /nfs/dbraw/zinc/18/90/66/393189066.db2.gz XIDWQZZWGSSDBR-UHFFFAOYSA-N 0 2 270.274 1.095 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000217316655 140163716 /nfs/dbraw/zinc/16/37/16/140163716.db2.gz QKXZZASNEUFRDL-IUCAKERBSA-N 0 2 280.280 1.455 10 5 CDBELN O=C(NCc1nccs1)c1cccc(O)c1[N+](=O)[O-] ZINC000343073123 152021331 /nfs/dbraw/zinc/02/13/31/152021331.db2.gz RYMOZXBXTKIQBS-UHFFFAOYSA-N 0 2 279.277 1.687 10 5 CDBELN O=C(NCCn1cccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000343152916 152051695 /nfs/dbraw/zinc/05/16/95/152051695.db2.gz XQFRKPSWSRRAHB-UHFFFAOYSA-N 0 2 275.264 1.532 10 5 CDBELN O=C(Cc1cncnc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000346815448 153310034 /nfs/dbraw/zinc/31/00/34/153310034.db2.gz BXHPOKAOZMXQQA-UHFFFAOYSA-N 0 2 274.236 1.272 10 5 CDBELN CC(C)C[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346818576 153311292 /nfs/dbraw/zinc/31/12/92/153311292.db2.gz GTTOSCXFPIQOLK-VIFPVBQESA-N 0 2 282.296 1.437 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000371614180 160032987 /nfs/dbraw/zinc/03/29/87/160032987.db2.gz BAIOFVBTIRQMNE-AOOOYVTPSA-N 0 2 278.264 1.304 10 5 CDBELN CC(C)Cn1ccnc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000058421737 411685843 /nfs/dbraw/zinc/68/58/43/411685843.db2.gz UUHXUTZNZIYIDA-IUCAKERBSA-N 0 2 252.274 1.143 10 5 CDBELN CN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1c(F)cccc1F ZINC000044979886 175283243 /nfs/dbraw/zinc/28/32/43/175283243.db2.gz CKBQWMILLAEJCQ-RCOVLWMOSA-N 0 2 256.208 1.593 10 5 CDBELN Cc1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])n(C(C)(C)C)n1 ZINC000045784117 423850572 /nfs/dbraw/zinc/85/05/72/423850572.db2.gz ACPGHGZAXFJKLK-IUCAKERBSA-N 0 2 266.301 1.550 10 5 CDBELN C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000217316838 280088350 /nfs/dbraw/zinc/08/83/50/280088350.db2.gz BKHMLXAEXFHBKE-QPUJVOFHSA-N 0 2 280.280 1.143 10 5 CDBELN CC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293837243 288234592 /nfs/dbraw/zinc/23/45/92/288234592.db2.gz AYNFTSNNZQOMKB-VIFPVBQESA-N 0 2 250.254 1.925 10 5 CDBELN CC[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000421986151 288341853 /nfs/dbraw/zinc/34/18/53/288341853.db2.gz KARKAOVHWSUDJS-ONGXEEELSA-N 0 2 294.307 1.988 10 5 CDBELN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1 ZINC000272475779 288919594 /nfs/dbraw/zinc/91/95/94/288919594.db2.gz ZYZPYGJTSBJJPV-SECBINFHSA-N 0 2 266.253 1.161 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H]2OCC[C@@H]2C1 ZINC000571763180 294500988 /nfs/dbraw/zinc/50/09/88/294500988.db2.gz BXNLJJJDUHJOFN-SKDRFNHKSA-N 0 2 292.291 1.551 10 5 CDBELN C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000413993699 297255042 /nfs/dbraw/zinc/25/50/42/297255042.db2.gz RNDGXDIUSHUFAB-BBBLOLIVSA-N 0 2 294.307 1.844 10 5 CDBELN CC[C@@H]1CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000584233603 327071739 /nfs/dbraw/zinc/07/17/39/327071739.db2.gz BFWMWFDTTSVOCD-MRVPVSSYSA-N 0 2 250.254 1.925 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@]12CCOC2 ZINC000372478353 527236369 /nfs/dbraw/zinc/23/63/69/527236369.db2.gz QOCOXBYAXJEDGF-ZANVPECISA-N 0 2 278.264 1.666 10 5 CDBELN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2cc(F)c(F)cc21 ZINC000839532458 684715085 /nfs/dbraw/zinc/71/50/85/684715085.db2.gz SIKSQXPFEQXIME-RDDDGLTNSA-N 0 2 268.219 1.519 10 5 CDBELN O=C(NOC1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000803117472 686803765 /nfs/dbraw/zinc/80/37/65/686803765.db2.gz CUPSUZMUSSPXMJ-UHFFFAOYSA-N 0 2 282.252 1.141 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc2cccnn21 ZINC001632236219 1166337242 /nfs/dbraw/zinc/33/72/42/1166337242.db2.gz FAFZIEHPCVYNRW-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN CONC(=O)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001187783371 920675692 /nfs/dbraw/zinc/67/56/92/920675692.db2.gz PKBZWNZGUUDGHA-UHFFFAOYSA-N 0 2 294.094 1.991 10 5 CDBELN O=C(Nc1nc(-c2ccccc2)co1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128791675 922437930 /nfs/dbraw/zinc/43/79/30/922437930.db2.gz KUQFTFUJSPYEFG-MWLCHTKSSA-N 0 2 273.248 1.945 10 5 CDBELN CC[C@](C)(O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001556081341 964995998 /nfs/dbraw/zinc/99/59/98/964995998.db2.gz SMSQWHMXZBBROA-NSHDSACASA-N 0 2 254.242 1.400 10 5 CDBELN O=C(N[C@@H]1CCC[C@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586522599 342465035 /nfs/dbraw/zinc/46/50/35/342465035.db2.gz AMYQEZPSBKOJCC-BDAKNGLRSA-N 0 2 280.280 1.334 10 5 CDBELN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn[nH]n1 ZINC000600175789 341983099 /nfs/dbraw/zinc/98/30/99/341983099.db2.gz CIAYEZYAAHEJJV-SNVBAGLBSA-N 0 2 275.312 1.824 10 5 CDBELN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600260647 341991200 /nfs/dbraw/zinc/99/12/00/341991200.db2.gz WPARUAWQVGZKEH-RMLUDKJBSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@@H]1SCC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592905858 342747847 /nfs/dbraw/zinc/74/78/47/342747847.db2.gz YPXVINMCJNDDSB-CBAPKCEASA-N 0 2 282.321 1.924 10 5 CDBELN CC[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000593809584 342837853 /nfs/dbraw/zinc/83/78/53/342837853.db2.gz WYTOUBUBVICJGX-ZJUUUORDSA-N 0 2 294.307 1.940 10 5 CDBELN COCC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000594400516 342899833 /nfs/dbraw/zinc/89/98/33/342899833.db2.gz XSMAJDPXKLDLSL-UHFFFAOYSA-N 0 2 280.280 1.457 10 5 CDBELN O=C(NCc1noc([C@H]2C[C@H]2[N+](=O)[O-])n1)c1ccccc1 ZINC000075609917 346763741 /nfs/dbraw/zinc/76/37/41/346763741.db2.gz ZIYBZDRTYDHWKV-VHSXEESVSA-N 0 2 288.263 1.132 10 5 CDBELN Cc1nn(Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC000436473675 358744503 /nfs/dbraw/zinc/74/45/03/358744503.db2.gz KPFGNTAQRYVKTR-UHFFFAOYSA-N 0 2 291.292 1.858 10 5 CDBELN CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354527838 359403458 /nfs/dbraw/zinc/40/34/58/359403458.db2.gz QSYSNGYRWRGZOB-NOZJJQNGSA-N 0 2 294.307 1.845 10 5 CDBELN CN(CCn1cccn1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352973968 364687388 /nfs/dbraw/zinc/68/73/88/364687388.db2.gz NRRQTSQDXNNVLH-UHFFFAOYSA-N 0 2 290.279 1.269 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](CCCO)C1 ZINC000457135781 365419346 /nfs/dbraw/zinc/41/93/46/365419346.db2.gz GFVPJCWZFCJHTA-SNVBAGLBSA-N 0 2 294.307 1.535 10 5 CDBELN COC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272319474 367678098 /nfs/dbraw/zinc/67/80/98/367678098.db2.gz AHUKGFAEYVNKAU-SNVBAGLBSA-N 0 2 294.263 1.078 10 5 CDBELN C[C@H](O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272864523 372187314 /nfs/dbraw/zinc/18/73/14/372187314.db2.gz SHXGNRNJFKSSDT-ZETCQYMHSA-N 0 2 268.269 1.190 10 5 CDBELN C[C@H]1CC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000398089726 391639002 /nfs/dbraw/zinc/63/90/02/391639002.db2.gz WZBLHXZARVYGGQ-WCBMZHEXSA-N 0 2 280.280 1.598 10 5 CDBELN O=C(NC[C@@H]1CCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561437 140240896 /nfs/dbraw/zinc/24/08/96/140240896.db2.gz KLWYSBUBVWRERK-QMMMGPOBSA-N 0 2 266.253 1.067 10 5 CDBELN COC1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000458062067 292159625 /nfs/dbraw/zinc/15/96/25/292159625.db2.gz KVPVHOVLVPVULS-UHFFFAOYSA-N 0 2 294.307 1.988 10 5 CDBELN CCOC1(C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000452696282 286006569 /nfs/dbraw/zinc/00/65/69/286006569.db2.gz HYPKJKXSCZQQNP-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN C[C@@H]1CC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000310710506 149199860 /nfs/dbraw/zinc/19/98/60/149199860.db2.gz UIHYGHVMSWBVJO-GMSGAONNSA-N 0 2 250.254 1.829 10 5 CDBELN O=C(N[C@@H](CO)CC1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355514029 157092115 /nfs/dbraw/zinc/09/21/15/157092115.db2.gz UCVBYQNOCKZFAW-SNVBAGLBSA-N 0 2 294.307 1.581 10 5 CDBELN Cc1cc([N+](=O)[O-])cnc1Sc1n[nH]c(=O)[nH]1 ZINC000192752226 227280475 /nfs/dbraw/zinc/28/04/75/227280475.db2.gz CNJPNKGSCGGHQZ-UHFFFAOYSA-N 0 2 253.243 1.273 10 5 CDBELN CC[C@H]1[C@@H](CO)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000331293767 288375107 /nfs/dbraw/zinc/37/51/07/288375107.db2.gz CBLKXMQZLBZQQC-KOLCDFICSA-N 0 2 294.307 1.533 10 5 CDBELN COC[C@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456957951 293200887 /nfs/dbraw/zinc/20/08/87/293200887.db2.gz IKSWFOKJOXZTSY-SNVBAGLBSA-N 0 2 294.307 1.942 10 5 CDBELN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000412718033 535865525 /nfs/dbraw/zinc/86/55/25/535865525.db2.gz MDKFGYJERIJOKI-AAEUAGOBSA-N 0 2 296.323 1.826 10 5 CDBELN C[C@H]1CNc2c(Nc3ncc([N+](=O)[O-])cn3)cnn2C1 ZINC001612678292 1165522202 /nfs/dbraw/zinc/52/22/02/1165522202.db2.gz DVOYZWYRLIWMCI-ZETCQYMHSA-N 0 2 275.272 1.387 10 5 CDBELN O=C(Nc1cc(-c2ccccc2)[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001640244989 1167008921 /nfs/dbraw/zinc/00/89/21/1167008921.db2.gz YRBHCJKKKZKKMO-MWLCHTKSSA-N 0 2 272.264 1.680 10 5 CDBELN O=C(Nc1nc2cc[nH]cc-2n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000802917972 936076942 /nfs/dbraw/zinc/07/69/42/936076942.db2.gz OHDUSJWKIRQJQO-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN CCc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c[nH+]1 ZINC001472018385 970535532 /nfs/dbraw/zinc/53/55/32/970535532.db2.gz CXYDBYMNYNIULJ-UHFFFAOYSA-N 0 2 290.279 1.516 10 5 CDBELN CCc1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH+]1 ZINC001472018385 970535537 /nfs/dbraw/zinc/53/55/37/970535537.db2.gz CXYDBYMNYNIULJ-UHFFFAOYSA-N 0 2 290.279 1.516 10 5 CDBELN CCc1nc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])sc1C ZINC000044702005 398171011 /nfs/dbraw/zinc/17/10/11/398171011.db2.gz GDIWJXNHXQOJCU-XPUUQOCRSA-N 0 2 255.299 1.618 10 5 CDBELN O=C(N[C@H]1CCCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000291751291 198080308 /nfs/dbraw/zinc/08/03/08/198080308.db2.gz LOFDJLPCMWHNPV-QMMMGPOBSA-N 0 2 266.253 1.209 10 5 CDBELN CCOC1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000294877491 199226793 /nfs/dbraw/zinc/22/67/93/199226793.db2.gz OTBWIHHYGUOWLA-UHFFFAOYSA-N 0 2 266.253 1.161 10 5 CDBELN C[C@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCOC1 ZINC000361660360 358409388 /nfs/dbraw/zinc/40/93/88/358409388.db2.gz KEVZQRZFKUAXHA-LBPRGKRZSA-N 0 2 266.253 1.666 10 5 CDBELN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC(=O)Nc2ccccc21 ZINC000072288081 358552982 /nfs/dbraw/zinc/55/29/82/358552982.db2.gz XZUIIJZUZYALHZ-KWQFWETISA-N 0 2 275.264 1.027 10 5 CDBELN Cc1cc(=O)[nH]cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166160662 359711156 /nfs/dbraw/zinc/71/11/56/359711156.db2.gz CUESVTSLPOITBW-UHFFFAOYSA-N 0 2 289.247 1.549 10 5 CDBELN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCS1 ZINC000181981342 189311613 /nfs/dbraw/zinc/31/16/13/189311613.db2.gz JIWKNWWUOFIGEJ-QMMMGPOBSA-N 0 2 282.321 1.878 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H]21 ZINC000353268948 375592730 /nfs/dbraw/zinc/59/27/30/375592730.db2.gz TUSBVZIRKLVMAY-KCJUWKMLSA-N 0 2 262.265 1.925 10 5 CDBELN CC(C)(CO)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354854862 375755781 /nfs/dbraw/zinc/75/57/81/375755781.db2.gz BZHTZIUXFGFNFF-UHFFFAOYSA-N 0 2 296.323 1.829 10 5 CDBELN Cc1nnsc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000190590269 377843095 /nfs/dbraw/zinc/84/30/95/377843095.db2.gz XWARZUMJRKJSHI-UHFFFAOYSA-N 0 2 280.265 1.713 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCc2n[nH]cc21 ZINC000505355687 254086219 /nfs/dbraw/zinc/08/62/19/254086219.db2.gz LLNGYPFNTYVMQV-UHFFFAOYSA-N 0 2 288.263 1.617 10 5 CDBELN O=C(CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000343849775 152324840 /nfs/dbraw/zinc/32/48/40/152324840.db2.gz JZEQKCHEUVIGMF-UHFFFAOYSA-N 0 2 264.237 1.009 10 5 CDBELN Cc1cc(=O)[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000343877134 152335948 /nfs/dbraw/zinc/33/59/48/152335948.db2.gz MWWCVCYIIOBMOI-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN COCC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000355496754 157083025 /nfs/dbraw/zinc/08/30/25/157083025.db2.gz WWKKUKVGRYCUDT-UHFFFAOYSA-N 0 2 280.280 1.409 10 5 CDBELN CO[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316847 293654655 /nfs/dbraw/zinc/65/46/55/293654655.db2.gz SFODYXIIGBKQGU-SNVBAGLBSA-N 0 2 280.280 1.551 10 5 CDBELN Cn1cncc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000568801477 294104012 /nfs/dbraw/zinc/10/40/12/294104012.db2.gz WLOSIBORVQWQHG-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN COCCOCCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000314118998 536492643 /nfs/dbraw/zinc/49/26/43/536492643.db2.gz GZBQHBYTJQJOAU-UHFFFAOYSA-N 0 2 298.295 1.035 10 5 CDBELN COCC[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315787 536775762 /nfs/dbraw/zinc/77/57/62/536775762.db2.gz AZLUUQSUQJZQPQ-MRVPVSSYSA-N 0 2 268.269 1.455 10 5 CDBELN CONC(=O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001640484744 1167030674 /nfs/dbraw/zinc/03/06/74/1167030674.db2.gz HXUCRLVSRMFSII-UHFFFAOYSA-N 0 2 276.252 1.233 10 5 CDBELN COc1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC001584635788 1172838694 /nfs/dbraw/zinc/83/86/94/1172838694.db2.gz LWFKPTAIVSLQPF-UHFFFAOYSA-N 0 2 290.235 1.351 10 5 CDBELN O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001442527481 965102818 /nfs/dbraw/zinc/10/28/18/965102818.db2.gz TVKQKQVLOCVHKQ-GHMZBOCLSA-N 0 2 272.264 1.680 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(C1)CCCO2 ZINC000600313534 342086338 /nfs/dbraw/zinc/08/63/38/342086338.db2.gz ADPOTMQMKJVALA-UHFFFAOYSA-N 0 2 278.264 1.305 10 5 CDBELN CCCC[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592855695 342738055 /nfs/dbraw/zinc/73/80/55/342738055.db2.gz VFMRWOBSHAXJGJ-CQSZACIVSA-N 0 2 296.323 1.971 10 5 CDBELN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600522404 342230008 /nfs/dbraw/zinc/23/00/08/342230008.db2.gz OVTQVCKUFSISEG-ZANVPECISA-N 0 2 292.291 1.598 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC2(COC2)C1 ZINC000598403605 343790308 /nfs/dbraw/zinc/79/03/08/343790308.db2.gz GDGOFPLSLVGFRB-UHFFFAOYSA-N 0 2 278.264 1.163 10 5 CDBELN CC(=O)N[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C ZINC000541587655 358410515 /nfs/dbraw/zinc/41/05/15/358410515.db2.gz QDZQXHUBSNSSFS-GFCCVEGCSA-N 0 2 295.295 1.400 10 5 CDBELN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000570168916 359286379 /nfs/dbraw/zinc/28/63/79/359286379.db2.gz PTSIFLSIZNEMCF-JOYOIKCWSA-N 0 2 296.323 1.827 10 5 CDBELN Cc1nn(C)c(C)c1Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000296669219 376713501 /nfs/dbraw/zinc/71/35/01/376713501.db2.gz ZEDJSXNOBWZOJE-UHFFFAOYSA-N 0 2 262.273 1.787 10 5 CDBELN COc1ccc(-c2noc([C@H]3C[C@@H]3[N+](=O)[O-])n2)c(OC)c1 ZINC000069873947 379004420 /nfs/dbraw/zinc/00/44/20/379004420.db2.gz ZROHZYNMPQAWBH-UWVGGRQHSA-N 0 2 291.263 1.886 10 5 CDBELN Cc1noc(C)c1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315942 140162999 /nfs/dbraw/zinc/16/29/99/140162999.db2.gz BDCHSVOAVRFFFQ-UHFFFAOYSA-N 0 2 291.263 1.835 10 5 CDBELN Cc1cc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])no1 ZINC000346201504 153094492 /nfs/dbraw/zinc/09/44/92/153094492.db2.gz SRPKQFNJCHUKBF-UHFFFAOYSA-N 0 2 291.263 1.869 10 5 CDBELN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000346833660 153319211 /nfs/dbraw/zinc/31/92/11/153319211.db2.gz VSSNQVPOTNHXPB-UHFFFAOYSA-N 0 2 264.237 1.009 10 5 CDBELN Cc1cc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])n(C)n1 ZINC000356160387 157378201 /nfs/dbraw/zinc/37/82/01/157378201.db2.gz YGXBSHJLCFQYRR-UHFFFAOYSA-N 0 2 290.279 1.272 10 5 CDBELN CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000058421736 411684975 /nfs/dbraw/zinc/68/49/75/411684975.db2.gz UUHXUTZNZIYIDA-BDAKNGLRSA-N 0 2 252.274 1.143 10 5 CDBELN CCC[C@@H](NCc1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000044928278 175278782 /nfs/dbraw/zinc/27/87/82/175278782.db2.gz XLVQXJXHVQYZNX-LLVKDONJSA-N 0 2 276.300 1.739 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnccn1 ZINC000183910623 323350232 /nfs/dbraw/zinc/35/02/32/323350232.db2.gz OADSLMJYQHJZPW-UHFFFAOYSA-N 0 2 260.209 1.343 10 5 CDBELN O=C(N[C@@H]1CCn2ccnc21)c1ccc([N+](=O)[O-])cc1O ZINC001636159417 1166657518 /nfs/dbraw/zinc/65/75/18/1166657518.db2.gz YBCVBOYUJOUKOE-SNVBAGLBSA-N 0 2 288.263 1.372 10 5 CDBELN Cn1cc([N+](=O)[O-])c(Nc2ccn(Cc3ccccn3)n2)n1 ZINC001651488144 1171327486 /nfs/dbraw/zinc/32/74/86/1171327486.db2.gz PWEGAFZAWQPXPV-UHFFFAOYSA-N 0 2 299.294 1.712 10 5 CDBELN C[S@](=O)(=NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000926028436 726113258 /nfs/dbraw/zinc/11/32/58/726113258.db2.gz ZYVBIAHLLVZNCU-CLFVBBPSSA-N 0 2 274.342 1.609 10 5 CDBELN C[S@](=O)(=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000926028436 726113264 /nfs/dbraw/zinc/11/32/64/726113264.db2.gz ZYVBIAHLLVZNCU-CLFVBBPSSA-N 0 2 274.342 1.609 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1Cc2ccncc2C1 ZINC000816580610 930311468 /nfs/dbraw/zinc/31/14/68/930311468.db2.gz MNGLLCVQNBPOQE-UHFFFAOYSA-N 0 2 285.259 1.851 10 5 CDBELN CC[C@@H](C[N+](=O)[O-])OC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001347431336 965524673 /nfs/dbraw/zinc/52/46/73/965524673.db2.gz XZAUIULFFVCDAB-BDAKNGLRSA-N 0 2 281.312 1.747 10 5 CDBELN COCC1(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000592825615 342731805 /nfs/dbraw/zinc/73/18/05/342731805.db2.gz BRUHBDHFIWPHTH-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN O=C(N[C@H]1CC[C@@H](CO)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000619568552 349805265 /nfs/dbraw/zinc/80/52/65/349805265.db2.gz PENVAXWFSSSAGL-AOOOYVTPSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2COC[C@H]2C1 ZINC000598395319 343785096 /nfs/dbraw/zinc/78/50/96/343785096.db2.gz PGUVXVKBGYAOJF-WDEREUQCSA-N 0 2 292.291 1.409 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000598440141 343797533 /nfs/dbraw/zinc/79/75/33/343797533.db2.gz DPPTYFPKPKBXBU-OTYXRUKQSA-N 0 2 294.307 1.391 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H]1C(F)F ZINC000601608357 344209708 /nfs/dbraw/zinc/20/97/08/344209708.db2.gz YOYILRUDQFSQRG-SSDOTTSWSA-N 0 2 272.207 1.780 10 5 CDBELN COc1ccc(S(=O)(=O)Nc2cnoc2)c([N+](=O)[O-])c1 ZINC000604542359 344899262 /nfs/dbraw/zinc/89/92/62/344899262.db2.gz PEGUJILNYZMFSE-UHFFFAOYSA-N 0 2 299.264 1.392 10 5 CDBELN Cc1c[nH]nc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000076083214 347625900 /nfs/dbraw/zinc/62/59/00/347625900.db2.gz KNIGZWRXLYWJCU-UHFFFAOYSA-N 0 2 262.225 1.584 10 5 CDBELN C[C@H]1C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271283067 191048780 /nfs/dbraw/zinc/04/87/80/191048780.db2.gz OJQQMXSKBIASOZ-JGVFFNPUSA-N 0 2 250.254 1.686 10 5 CDBELN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331289705 357336804 /nfs/dbraw/zinc/33/68/04/357336804.db2.gz AWKJINNVJHFSMQ-BXKDBHETSA-N 0 2 294.307 1.533 10 5 CDBELN Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)on1 ZINC000436677330 359089546 /nfs/dbraw/zinc/08/95/46/359089546.db2.gz XCXVEXPXVZWVCV-UHFFFAOYSA-N 0 2 291.263 1.569 10 5 CDBELN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1O ZINC000182122341 189314714 /nfs/dbraw/zinc/31/47/14/189314714.db2.gz UJOJCSHAWNHEKI-SKDRFNHKSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1O ZINC000408409994 391331401 /nfs/dbraw/zinc/33/14/01/391331401.db2.gz HQYOLJCKGOLFGP-UFBFGSQYSA-N 0 2 280.280 1.143 10 5 CDBELN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000275834970 393115855 /nfs/dbraw/zinc/11/58/55/393115855.db2.gz BSNGIHPYAQIGKH-XYPYZODXSA-N 0 2 294.307 1.676 10 5 CDBELN COCCCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234746498 140230436 /nfs/dbraw/zinc/23/04/36/140230436.db2.gz SQESIOMFNFERCM-UHFFFAOYSA-N 0 2 282.296 1.847 10 5 CDBELN O=C(NCCc1cscn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561213 140240267 /nfs/dbraw/zinc/24/02/67/140240267.db2.gz XTTMBFPDDKCPKT-UHFFFAOYSA-N 0 2 293.304 1.729 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](CO)CC1 ZINC000356038645 397607449 /nfs/dbraw/zinc/60/74/49/397607449.db2.gz UJRHTRANTOIKIX-JTQLQIEISA-N 0 2 294.307 1.535 10 5 CDBELN O=C(NCCc1ccon1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354264751 156356665 /nfs/dbraw/zinc/35/66/65/156356665.db2.gz GXSXISLFNZQKCS-UHFFFAOYSA-N 0 2 277.236 1.261 10 5 CDBELN Cn1cc[nH+]c1CNc1cc(C(=O)[O-])c([N+](=O)[O-])cc1F ZINC000071276344 176107392 /nfs/dbraw/zinc/10/73/92/176107392.db2.gz IAFKJNRBOSXGPJ-UHFFFAOYSA-N 0 2 294.242 1.778 10 5 CDBELN C[C@@H]1C[C@@H](C)N1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000557032130 290324096 /nfs/dbraw/zinc/32/40/96/290324096.db2.gz ZQKCWLWQNDKCBY-HTQZYQBOSA-N 0 2 250.254 1.923 10 5 CDBELN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nn(C)cc1O ZINC001640025327 1166987568 /nfs/dbraw/zinc/98/75/68/1166987568.db2.gz JFPNEZAPHKGPSA-MRVPVSSYSA-N 0 2 290.279 1.525 10 5 CDBELN O=c1[nH]nc([C@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)[nH]1 ZINC001655470725 1171696764 /nfs/dbraw/zinc/69/67/64/1171696764.db2.gz YNZVSGDVJVDDEV-ZETCQYMHSA-N 0 2 295.324 1.864 10 5 CDBELN C[C@@H](CF)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000702581880 729027442 /nfs/dbraw/zinc/02/74/42/729027442.db2.gz HHQNMNAXXOAELW-LURJTMIESA-N 0 2 280.252 1.370 10 5 CDBELN Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Br ZINC000854854699 729331852 /nfs/dbraw/zinc/33/18/52/729331852.db2.gz CSUSEIJSAJVMJG-RFZPGFLSSA-N 0 2 289.089 1.084 10 5 CDBELN O=C(Nc1csc(-c2ccccn2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721627 730313012 /nfs/dbraw/zinc/31/30/12/730313012.db2.gz XBFBUUPMKBREFD-VXNVDRBHSA-N 0 2 290.304 1.809 10 5 CDBELN CC[C@@H](O)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001632236372 1166337753 /nfs/dbraw/zinc/33/77/53/1166337753.db2.gz LVIPIMGLPUTFKI-GMSGAONNSA-N 0 2 268.269 1.646 10 5 CDBELN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841046542 936973150 /nfs/dbraw/zinc/97/31/50/936973150.db2.gz GKLIOCATOMGLHK-HNBZJPLGSA-N 0 2 291.263 1.538 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn2c(n1)CCC2 ZINC001138012992 930017308 /nfs/dbraw/zinc/01/73/08/930017308.db2.gz AJNMGBIJNDMRON-UHFFFAOYSA-N 0 2 288.263 1.695 10 5 CDBELN C[S@@](=O)(=NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC001337375451 961149854 /nfs/dbraw/zinc/14/98/54/961149854.db2.gz XZCVFEXWUOFQDW-HQVAUKCESA-N 0 2 286.284 1.474 10 5 CDBELN C[S@@](=O)(=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cc1 ZINC001337375451 961149857 /nfs/dbraw/zinc/14/98/57/961149857.db2.gz XZCVFEXWUOFQDW-HQVAUKCESA-N 0 2 286.284 1.474 10 5 CDBELN CCO[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600366146 342159251 /nfs/dbraw/zinc/15/92/51/342159251.db2.gz HYWVFPVUQZWBGC-MFKMUULPSA-N 0 2 280.280 1.598 10 5 CDBELN CC[C@H](C)C[C@@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592874190 342742673 /nfs/dbraw/zinc/74/26/73/342742673.db2.gz PIZPBDDONYPMEX-UWVGGRQHSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(N[C@H]1C[C@H](O)C12CCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000598294698 343757651 /nfs/dbraw/zinc/75/76/51/343757651.db2.gz GUWMUNIZPZDTEG-QWRGUYRKSA-N 0 2 292.291 1.334 10 5 CDBELN O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598302109 343758811 /nfs/dbraw/zinc/75/88/11/343758811.db2.gz DQZKFDAKEAXDKI-NEPJUHHUSA-N 0 2 292.291 1.334 10 5 CDBELN CC1(C)OCc2[nH]n(-c3cccc([N+](=O)[O-])c3)c(=O)c21 ZINC000601933013 344284825 /nfs/dbraw/zinc/28/48/25/344284825.db2.gz WYIAYDXDPFFMMM-NSHDSACASA-N 0 2 275.264 1.722 10 5 CDBELN NNc1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000584635966 358760814 /nfs/dbraw/zinc/76/08/14/358760814.db2.gz WFPGXKCFKPJLTN-UHFFFAOYSA-N 0 2 281.663 1.462 10 5 CDBELN COC(=O)CCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000277094564 374772310 /nfs/dbraw/zinc/77/23/10/374772310.db2.gz PWIWONMJKPCVDG-UHFFFAOYSA-N 0 2 296.279 1.972 10 5 CDBELN O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353232453 375588878 /nfs/dbraw/zinc/58/88/78/375588878.db2.gz LGHOQIVNFXINJK-VHSXEESVSA-N 0 2 294.307 1.581 10 5 CDBELN O=c1[nH]nc(SCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000187635412 140082011 /nfs/dbraw/zinc/08/20/11/140082011.db2.gz ZHDBRLORTUQJMY-UHFFFAOYSA-N 0 2 252.255 1.711 10 5 CDBELN CC[C@H](CCO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000438873435 392010916 /nfs/dbraw/zinc/01/09/16/392010916.db2.gz CDBSFTKPVWMEPF-MRVPVSSYSA-N 0 2 268.269 1.191 10 5 CDBELN O=C(NCCc1nccs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561240 140239908 /nfs/dbraw/zinc/23/99/08/140239908.db2.gz ZVRSLDUPHFMADT-UHFFFAOYSA-N 0 2 293.304 1.729 10 5 CDBELN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])c1cnn(C)c1 ZINC000343420472 152165728 /nfs/dbraw/zinc/16/57/28/152165728.db2.gz LLHFLOGZVDALOI-UHFFFAOYSA-N 0 2 276.252 1.311 10 5 CDBELN C[C@@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000408100211 297122684 /nfs/dbraw/zinc/12/26/84/297122684.db2.gz RFGSFDPAPZJUTG-MRVPVSSYSA-N 0 2 266.253 1.161 10 5 CDBELN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])s1 ZINC000077253518 177242924 /nfs/dbraw/zinc/24/29/24/177242924.db2.gz VZZJLVSBGXAHBZ-QMMMGPOBSA-N 0 2 256.283 1.705 10 5 CDBELN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])s1 ZINC000077253518 177242925 /nfs/dbraw/zinc/24/29/25/177242925.db2.gz VZZJLVSBGXAHBZ-QMMMGPOBSA-N 0 2 256.283 1.705 10 5 CDBELN CC[C@H]1CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293873854 288234662 /nfs/dbraw/zinc/23/46/62/288234662.db2.gz DAQOQRSGNSJEKJ-QMMMGPOBSA-N 0 2 250.254 1.925 10 5 CDBELN CC[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000280705869 288274401 /nfs/dbraw/zinc/27/44/01/288274401.db2.gz FUKNHQWZGIZMMG-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])cn2)[nH]nc1C ZINC000532138376 281921803 /nfs/dbraw/zinc/92/18/03/281921803.db2.gz GRDLLBVUYIXFBH-UHFFFAOYSA-N 0 2 273.252 1.071 10 5 CDBELN COC[C@]1(C)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000295649293 293281814 /nfs/dbraw/zinc/28/18/14/293281814.db2.gz CJMPWZVMSJENQZ-CQSZACIVSA-N 0 2 294.307 1.799 10 5 CDBELN C[C@H]1COC[C@H](C)N1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283164681 300362424 /nfs/dbraw/zinc/36/24/24/300362424.db2.gz UFDVPGRQTFYVDU-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN C[C@H]1COCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000192892507 534034769 /nfs/dbraw/zinc/03/47/69/534034769.db2.gz ROMGBGZYYLHYFJ-WPRPVWTQSA-N 0 2 280.280 1.912 10 5 CDBELN Cc1onc(CO)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001447260571 966736151 /nfs/dbraw/zinc/73/61/51/966736151.db2.gz FUUIDZKPXYKPHE-UHFFFAOYSA-N 0 2 293.235 1.341 10 5 CDBELN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593288423 342784212 /nfs/dbraw/zinc/78/42/12/342784212.db2.gz JSLHJHGOLSXDIX-GXSJLCMTSA-N 0 2 294.307 1.843 10 5 CDBELN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593288423 342784213 /nfs/dbraw/zinc/78/42/13/342784213.db2.gz JSLHJHGOLSXDIX-GXSJLCMTSA-N 0 2 294.307 1.843 10 5 CDBELN C[C@@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000363692559 362079912 /nfs/dbraw/zinc/07/99/12/362079912.db2.gz IAINWGUPMRMFDH-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])O1 ZINC000598217291 343735546 /nfs/dbraw/zinc/73/55/46/343735546.db2.gz ULMVZQPSOLMARX-ZJUUUORDSA-N 0 2 294.307 1.988 10 5 CDBELN O=C(NC1CCOCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000619568155 348568640 /nfs/dbraw/zinc/56/86/40/348568640.db2.gz BRIIAJNFWHNFGE-UHFFFAOYSA-N 0 2 266.253 1.209 10 5 CDBELN COC(=O)CC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000567620748 358707819 /nfs/dbraw/zinc/70/78/19/358707819.db2.gz KLUJBCUHRMWYCB-UHFFFAOYSA-N 0 2 294.263 1.126 10 5 CDBELN CC(C)c1cc(=NC(=O)c2cccc(O)c2[N+](=O)[O-])[nH][nH]1 ZINC000562496593 360022592 /nfs/dbraw/zinc/02/25/92/360022592.db2.gz UJNAKKXMSGPHKI-UHFFFAOYSA-N 0 2 290.279 1.821 10 5 CDBELN Cc1cc(=O)[nH]cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000348159432 360532812 /nfs/dbraw/zinc/53/28/12/360532812.db2.gz PQSRRXUQTKAPLL-UHFFFAOYSA-N 0 2 289.247 1.962 10 5 CDBELN C[C@H](O)C[C@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280715986 375016445 /nfs/dbraw/zinc/01/64/45/375016445.db2.gz BSADDNVVUIYMCK-IUCAKERBSA-N 0 2 282.296 1.437 10 5 CDBELN CC[C@@H]1OCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000458282745 391400834 /nfs/dbraw/zinc/40/08/34/391400834.db2.gz FQOHWMYOVCBXDL-KOLCDFICSA-N 0 2 280.280 1.598 10 5 CDBELN Cc1n[nH]c(C)c1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343070064 152020259 /nfs/dbraw/zinc/02/02/59/152020259.db2.gz GMYOGWARZMUMPK-UHFFFAOYSA-N 0 2 276.252 1.893 10 5 CDBELN CCc1nnc(NC(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000343166440 152056664 /nfs/dbraw/zinc/05/66/64/152056664.db2.gz QZQVSIZKNOSPAT-UHFFFAOYSA-N 0 2 294.292 1.967 10 5 CDBELN CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000352708086 155383274 /nfs/dbraw/zinc/38/32/74/155383274.db2.gz VAMSNLGFHNSTBZ-KOLCDFICSA-N 0 2 294.307 1.940 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1n[nH]c2c1CCC2 ZINC000346659622 153261724 /nfs/dbraw/zinc/26/17/24/153261724.db2.gz ILBKVQOLAFTQHD-UHFFFAOYSA-N 0 2 288.263 1.765 10 5 CDBELN COC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1O ZINC000008378134 170333598 /nfs/dbraw/zinc/33/35/98/170333598.db2.gz YQZBNBGQUXKCMO-UHFFFAOYSA-N 0 2 263.209 1.273 10 5 CDBELN CC[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000421969221 287285591 /nfs/dbraw/zinc/28/55/91/287285591.db2.gz OMDOTEVFVGGRSC-WDEREUQCSA-N 0 2 294.307 1.988 10 5 CDBELN CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330599918 288272653 /nfs/dbraw/zinc/27/26/53/288272653.db2.gz GSLKBJGHQYAKSD-UFBFGSQYSA-N 0 2 280.280 1.143 10 5 CDBELN C[C@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000310678419 300045806 /nfs/dbraw/zinc/04/58/06/300045806.db2.gz KAZPNTFPAMBRMT-CBAPKCEASA-N 0 2 250.254 1.829 10 5 CDBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000280720541 300197731 /nfs/dbraw/zinc/19/77/31/300197731.db2.gz HOTJSICMUQYPNT-QMMMGPOBSA-N 0 2 266.253 1.161 10 5 CDBELN CCn1cc[nH+]c1Cn1cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000054743731 523548043 /nfs/dbraw/zinc/54/80/43/523548043.db2.gz GROBXAYDYNPLBC-UHFFFAOYSA-N 0 2 264.241 1.359 10 5 CDBELN O=C(Nc1cnn(CCF)c1)c1ccc([N+](=O)[O-])cc1O ZINC001584685697 1172844713 /nfs/dbraw/zinc/84/47/13/1172844713.db2.gz LARCBHQSNBTFTC-UHFFFAOYSA-N 0 2 294.242 1.719 10 5 CDBELN C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1nn(C)cc1O ZINC001648328809 1169123178 /nfs/dbraw/zinc/12/31/78/1169123178.db2.gz HLCLVZSSZMSHDJ-MRVPVSSYSA-N 0 2 284.316 1.138 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2ncccc2C1 ZINC000586800354 342469969 /nfs/dbraw/zinc/46/99/69/342469969.db2.gz GHLXBTXQDYVSCN-UHFFFAOYSA-N 0 2 299.286 1.894 10 5 CDBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)O ZINC000613978625 347965581 /nfs/dbraw/zinc/96/55/81/347965581.db2.gz GXAACGBIMTWBPM-ZETCQYMHSA-N 0 2 268.269 1.190 10 5 CDBELN CO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@@H]1C ZINC000187971661 357830492 /nfs/dbraw/zinc/83/04/92/357830492.db2.gz IJMMAVPRXYRIOW-TVQRCGJNSA-N 0 2 294.307 1.797 10 5 CDBELN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)Nc2ccccc21 ZINC000072288083 358552809 /nfs/dbraw/zinc/55/28/09/358552809.db2.gz XZUIIJZUZYALHZ-GZMMTYOYSA-N 0 2 275.264 1.027 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCSCC1 ZINC000436669160 359075186 /nfs/dbraw/zinc/07/51/86/359075186.db2.gz HKIXNTLUUHNFDG-UHFFFAOYSA-N 0 2 282.321 1.880 10 5 CDBELN Cn1nccc1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166186576 359741179 /nfs/dbraw/zinc/74/11/79/359741179.db2.gz BSJJBCIDVPATFN-UHFFFAOYSA-N 0 2 290.279 1.605 10 5 CDBELN CCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)o1 ZINC000348629626 360447706 /nfs/dbraw/zinc/44/77/06/360447706.db2.gz GIKWTPQTOKFWJS-UHFFFAOYSA-N 0 2 292.251 1.176 10 5 CDBELN O=C(Nc1nnc2ccccn21)c1cc(O)ccc1[N+](=O)[O-] ZINC000350923823 360669813 /nfs/dbraw/zinc/66/98/13/360669813.db2.gz XOVKCUSNAYUFNR-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN CN(Cc1ncc[nH]1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000300296853 364244375 /nfs/dbraw/zinc/24/43/75/364244375.db2.gz ZPGKSIGVFBPNKN-UHFFFAOYSA-N 0 2 276.252 1.296 10 5 CDBELN COC(=O)Cc1c(Br)ccc(O)c1[N+](=O)[O-] ZINC000575711914 373973263 /nfs/dbraw/zinc/97/32/63/373973263.db2.gz ACAZFBASPBMLGC-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN CC[C@@H](CCO)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280989911 195059441 /nfs/dbraw/zinc/05/94/41/195059441.db2.gz LQYSPLFLYZHZMR-VIFPVBQESA-N 0 2 282.296 1.439 10 5 CDBELN COCCOCCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281077001 195094916 /nfs/dbraw/zinc/09/49/16/195094916.db2.gz CCYSOEBIWDDGLC-UHFFFAOYSA-N 0 2 298.295 1.083 10 5 CDBELN CC(C)O[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000574087859 391011468 /nfs/dbraw/zinc/01/14/68/391011468.db2.gz SNOUUKHGOOMJME-SNVBAGLBSA-N 0 2 294.307 1.940 10 5 CDBELN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000341133411 391189654 /nfs/dbraw/zinc/18/96/54/391189654.db2.gz HIDGNEOZKVWINO-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000183910417 391330445 /nfs/dbraw/zinc/33/04/45/391330445.db2.gz KFAZVKQFCCUUOO-UHFFFAOYSA-N 0 2 275.220 1.241 10 5 CDBELN O=C(NC[C@@H]1CC12CC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000416255917 391889648 /nfs/dbraw/zinc/88/96/48/391889648.db2.gz JFDPUBRNTQSMEG-QMMMGPOBSA-N 0 2 262.265 1.830 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408412380 304534520 /nfs/dbraw/zinc/53/45/20/304534520.db2.gz APWBHNONFQKNOH-AXTRIDKLSA-N 0 2 292.291 1.143 10 5 CDBELN O=C([O-])c1ccc([N+](=O)[O-])c(OCCn2cc[nH+]c2)c1 ZINC000050517687 526383834 /nfs/dbraw/zinc/38/38/34/526383834.db2.gz PZIKVVSHJJOBRK-UHFFFAOYSA-N 0 2 277.236 1.569 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@@]12CCOC2 ZINC000372478352 527236265 /nfs/dbraw/zinc/23/62/65/527236265.db2.gz QOCOXBYAXJEDGF-TVQRCGJNSA-N 0 2 278.264 1.666 10 5 CDBELN COC(OC)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000816613058 737768267 /nfs/dbraw/zinc/76/82/67/737768267.db2.gz HUAKSPCPICTECS-SSDOTTSWSA-N 0 2 284.268 1.038 10 5 CDBELN CCn1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000815876599 737817830 /nfs/dbraw/zinc/81/78/30/737817830.db2.gz GSLKEULKOWNXAU-UHFFFAOYSA-N 0 2 277.240 1.164 10 5 CDBELN CCc1n[nH]c(NC(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001137717152 936395853 /nfs/dbraw/zinc/39/58/53/936395853.db2.gz ZFJFQNUHEUTRCC-UHFFFAOYSA-N 0 2 279.231 1.667 10 5 CDBELN CC(C)(C)OCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000308564064 342777565 /nfs/dbraw/zinc/77/75/65/342777565.db2.gz FYHUHBFJGPXBJL-UHFFFAOYSA-N 0 2 282.296 1.845 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600446718 342209700 /nfs/dbraw/zinc/20/97/00/342209700.db2.gz OMFQQOMMATZXGT-LOKDSWTASA-N 0 2 294.307 1.842 10 5 CDBELN O=c1cc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)nc2nc[nH]n21 ZINC000436931902 362133569 /nfs/dbraw/zinc/13/35/69/362133569.db2.gz LKKHLOABODYORP-HNQUOIGGSA-N 0 2 299.246 1.202 10 5 CDBELN COC[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)OC ZINC000597887697 343658094 /nfs/dbraw/zinc/65/80/94/343658094.db2.gz LLEZCXNBFMQWTQ-SNVBAGLBSA-N 0 2 298.295 1.082 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)C1CCOCC1 ZINC000536229357 282305718 /nfs/dbraw/zinc/30/57/18/282305718.db2.gz XKVNGVHXEVQGBO-GFCCVEGCSA-N 0 2 296.279 1.026 10 5 CDBELN O=C(NCc1ncccc1O)c1cc([N+](=O)[O-])ccc1O ZINC000437005050 362253772 /nfs/dbraw/zinc/25/37/72/362253772.db2.gz VASOCVYVIHRKED-UHFFFAOYSA-N 0 2 289.247 1.331 10 5 CDBELN CC[C@](C)(CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297521816 200217823 /nfs/dbraw/zinc/21/78/23/200217823.db2.gz OOKNBTXVEXPDTA-GFCCVEGCSA-N 0 2 268.269 1.191 10 5 CDBELN O=C(N[C@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1O ZINC000298284899 200382555 /nfs/dbraw/zinc/38/25/55/200382555.db2.gz MAVXMLMINNWEIJ-UWVGGRQHSA-N 0 2 294.307 1.581 10 5 CDBELN CC(C)OC(=O)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000456615077 364655813 /nfs/dbraw/zinc/65/58/13/364655813.db2.gz MYJGDKGXPYXESO-QMMMGPOBSA-N 0 2 296.279 1.370 10 5 CDBELN COC(=O)c1c(Br)cc(O)cc1[N+](=O)[O-] ZINC000575712702 373973365 /nfs/dbraw/zinc/97/33/65/373973365.db2.gz NYILZFWOHRGCOL-UHFFFAOYSA-N 0 2 276.042 1.850 10 5 CDBELN CO[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375998483 374530929 /nfs/dbraw/zinc/53/09/29/374530929.db2.gz KKLIJGVFHNWLGE-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN COCCCN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280769829 375020325 /nfs/dbraw/zinc/02/03/25/375020325.db2.gz MIEXIYCUPZASQH-UHFFFAOYSA-N 0 2 268.269 1.409 10 5 CDBELN CCn1cnnc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000356350115 375837341 /nfs/dbraw/zinc/83/73/41/375837341.db2.gz RPFVFFFQNLTYAA-UHFFFAOYSA-N 0 2 277.240 1.164 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccncn1 ZINC000489973034 253020372 /nfs/dbraw/zinc/02/03/72/253020372.db2.gz PREFDOTUSZKUFU-UHFFFAOYSA-N 0 2 260.209 1.343 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](F)C1 ZINC000568138404 391591439 /nfs/dbraw/zinc/59/14/39/391591439.db2.gz OTDCAJLBRMICLA-QMMMGPOBSA-N 0 2 268.244 1.875 10 5 CDBELN CO[C@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000191453571 130237510 /nfs/dbraw/zinc/23/75/10/130237510.db2.gz AFICANBSCXKQIC-JGVFFNPUSA-N 0 2 268.269 1.454 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1CO ZINC000295245499 296541757 /nfs/dbraw/zinc/54/17/57/296541757.db2.gz PXABCQLVLAVXMN-PSASIEDQSA-N 0 2 280.280 1.143 10 5 CDBELN CO[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000353708279 156030167 /nfs/dbraw/zinc/03/01/67/156030167.db2.gz IZCXFQLLTJWMEN-GFCCVEGCSA-N 0 2 282.296 1.701 10 5 CDBELN O=C(NCCC1(O)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000285688933 196366665 /nfs/dbraw/zinc/36/66/65/196366665.db2.gz OCJHWLKZQXHNGS-UHFFFAOYSA-N 0 2 280.280 1.335 10 5 CDBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000313701018 281219973 /nfs/dbraw/zinc/21/99/73/281219973.db2.gz GUJOBNKJBHIRBZ-LBPRGKRZSA-N 0 2 294.307 1.533 10 5 CDBELN Cn1c(=[NH2+])[n-]nc1SCc1csc([N+](=O)[O-])c1 ZINC000565373399 293602621 /nfs/dbraw/zinc/60/26/21/293602621.db2.gz PBRHKXNOADUKOH-UHFFFAOYSA-N 0 2 271.327 1.490 10 5 CDBELN CS[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000296954921 295641826 /nfs/dbraw/zinc/64/18/26/295641826.db2.gz PFOVFKBUCVOHOL-MRVPVSSYSA-N 0 2 282.321 1.878 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCCCO1 ZINC000408292680 304529409 /nfs/dbraw/zinc/52/94/09/304529409.db2.gz DNVUIXRZJIZXQL-UHFFFAOYSA-N 0 2 266.253 1.858 10 5 CDBELN Cn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC001632236839 1166337821 /nfs/dbraw/zinc/33/78/21/1166337821.db2.gz XQTDJSCKKALNLP-UHFFFAOYSA-N 0 2 296.670 1.940 10 5 CDBELN COCCN(CCF)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000855592637 740853770 /nfs/dbraw/zinc/85/37/70/740853770.db2.gz NOFKJZQAOZNBJE-UHFFFAOYSA-N 0 2 286.259 1.359 10 5 CDBELN O=C(Nc1ncc(-c2cccnc2)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839763545 739300889 /nfs/dbraw/zinc/30/08/89/739300889.db2.gz REQSTWFIFBRRLZ-RKDXNWHRSA-N 0 2 290.304 1.809 10 5 CDBELN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(F)cc(F)c1O ZINC001142542713 908892474 /nfs/dbraw/zinc/89/24/74/908892474.db2.gz ULYQAJNMHNQDPA-UHFFFAOYSA-N 0 2 298.205 1.564 10 5 CDBELN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(F)ccnc2F)n1 ZINC001274533204 931507512 /nfs/dbraw/zinc/50/75/12/931507512.db2.gz SXCRWWMPKSOTDV-UHFFFAOYSA-N 0 2 297.221 1.737 10 5 CDBELN O=C(COC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC001556081504 964995214 /nfs/dbraw/zinc/99/52/14/964995214.db2.gz ZRGQIZWMNBHXJP-UHFFFAOYSA-N 0 2 280.158 1.775 10 5 CDBELN CCn1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC001447269108 966738136 /nfs/dbraw/zinc/73/81/36/966738136.db2.gz RUZXGXVQSCPVHI-UHFFFAOYSA-N 0 2 290.279 1.698 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(C1)CCCO2 ZINC000600314336 342087729 /nfs/dbraw/zinc/08/77/29/342087729.db2.gz LYKUSVXHUFPWCK-UHFFFAOYSA-N 0 2 278.264 1.305 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCOC1 ZINC000593814140 342838285 /nfs/dbraw/zinc/83/82/85/342838285.db2.gz HDHZECSLSQGULL-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN O=C(NCCC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000593879929 342844312 /nfs/dbraw/zinc/84/43/12/342844312.db2.gz RCVDBHOJYPMKTJ-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H]2COC[C@@H]2C1 ZINC000598394803 343784609 /nfs/dbraw/zinc/78/46/09/343784609.db2.gz NHSDELBVLXYUAO-UWVGGRQHSA-N 0 2 292.291 1.409 10 5 CDBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000598440283 343798005 /nfs/dbraw/zinc/79/80/05/343798005.db2.gz GSUGAYNYQCFRQT-XPTSAGLGSA-N 0 2 294.307 1.391 10 5 CDBELN CC1(C)OCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000598453795 343803439 /nfs/dbraw/zinc/80/34/39/343803439.db2.gz JXIYPLRYPSNGIV-SECBINFHSA-N 0 2 294.307 1.845 10 5 CDBELN CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000610091137 346175036 /nfs/dbraw/zinc/17/50/36/346175036.db2.gz MCTGHJMYCPLZIU-UHFFFAOYSA-N 0 2 277.236 1.525 10 5 CDBELN CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000331320899 357373061 /nfs/dbraw/zinc/37/30/61/357373061.db2.gz LNGIIXAAEHSXFY-QWRGUYRKSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@H](CO)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182122610 357410000 /nfs/dbraw/zinc/41/00/00/357410000.db2.gz JFCLJWUDJFMFEU-SFYZADRCSA-N 0 2 268.269 1.047 10 5 CDBELN O=C(N[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1O ZINC000298284904 200382557 /nfs/dbraw/zinc/38/25/57/200382557.db2.gz MAVXMLMINNWEIJ-ZJUUUORDSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000414019277 360948077 /nfs/dbraw/zinc/94/80/77/360948077.db2.gz CDIJDSNIVSUFCL-VHSXEESVSA-N 0 2 294.307 1.533 10 5 CDBELN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000573127107 365235499 /nfs/dbraw/zinc/23/54/99/365235499.db2.gz UFZQPSWUSGDVBO-BXKDBHETSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(N[C@@H]1CCC[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1O ZINC000414026823 241033233 /nfs/dbraw/zinc/03/32/33/241033233.db2.gz CTAULJICMNVSSG-VHSXEESVSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(Nc1ncccc1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354610301 375734087 /nfs/dbraw/zinc/73/40/87/375734087.db2.gz GTRQJUQDJBGBJY-UHFFFAOYSA-N 0 2 275.220 1.653 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](CCCO)C1 ZINC000457135779 252473927 /nfs/dbraw/zinc/47/39/27/252473927.db2.gz GFVPJCWZFCJHTA-JTQLQIEISA-N 0 2 294.307 1.535 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1CCO ZINC000451058413 390591455 /nfs/dbraw/zinc/59/14/55/390591455.db2.gz SXNFIORTHDYBAH-SECBINFHSA-N 0 2 280.280 1.287 10 5 CDBELN CC[C@@H](CCO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000438873436 392011008 /nfs/dbraw/zinc/01/10/08/392011008.db2.gz CDBSFTKPVWMEPF-QMMMGPOBSA-N 0 2 268.269 1.191 10 5 CDBELN CCOC(=O)CCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233641392 140227265 /nfs/dbraw/zinc/22/72/65/140227265.db2.gz YDTYCAVPBTXAFF-UHFFFAOYSA-N 0 2 296.279 1.326 10 5 CDBELN CC(=O)c1ccc(Sc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000192750942 270299235 /nfs/dbraw/zinc/29/92/35/270299235.db2.gz DEJOJHILCMRMQE-UHFFFAOYSA-N 0 2 280.265 1.772 10 5 CDBELN O=C(NCc1ncccc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000552373287 290067548 /nfs/dbraw/zinc/06/75/48/290067548.db2.gz WAQDAOYXIHHLGU-UHFFFAOYSA-N 0 2 291.238 1.765 10 5 CDBELN C[C@@H]1CC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000576129530 317082498 /nfs/dbraw/zinc/08/24/98/317082498.db2.gz BTXMTXUJXUOYRT-RKDXNWHRSA-N 0 2 294.307 1.986 10 5 CDBELN CCC[C@H](C)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000579723307 324266289 /nfs/dbraw/zinc/26/62/89/324266289.db2.gz BNUSWXPYEDQLCN-GXSJLCMTSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000048918820 482491626 /nfs/dbraw/zinc/49/16/26/482491626.db2.gz LUEAZYMKRHNZEY-DTWKUNHWSA-N 0 2 290.304 1.809 10 5 CDBELN CNC(=O)CCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000338405049 524061862 /nfs/dbraw/zinc/06/18/62/524061862.db2.gz FRPVFYCDRHPHHV-UHFFFAOYSA-N 0 2 295.295 1.545 10 5 CDBELN COc1cc(S(=O)(=O)Nc2cnoc2)ccc1[N+](=O)[O-] ZINC000759163477 577156373 /nfs/dbraw/zinc/15/63/73/577156373.db2.gz FFFQLISGNWOJHE-UHFFFAOYSA-N 0 2 299.264 1.392 10 5 CDBELN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C[C@H]2COc3ccccc32)no1 ZINC000897085394 620369965 /nfs/dbraw/zinc/36/99/65/620369965.db2.gz HQMJSDFNGIKHFM-JMJZKYOTSA-N 0 2 287.275 1.921 10 5 CDBELN Cc1n[nH]cc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001630761164 1166230350 /nfs/dbraw/zinc/23/03/50/1166230350.db2.gz NDNZGUCCAYNWDG-UHFFFAOYSA-N 0 2 290.279 1.604 10 5 CDBELN O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001642402756 1167171846 /nfs/dbraw/zinc/17/18/46/1167171846.db2.gz GNHHNBDADDXNAB-VIFPVBQESA-N 0 2 288.263 1.372 10 5 CDBELN C[C@@H]1CC[C@H](CO)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001643592679 1167257784 /nfs/dbraw/zinc/25/77/84/1167257784.db2.gz HYGJMFVJHWUHME-PSASIEDQSA-N 0 2 280.280 1.286 10 5 CDBELN C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000720486344 743365072 /nfs/dbraw/zinc/36/50/72/743365072.db2.gz ZJOKMPIPYCUSNB-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN O=C(NOCc1cccnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000791391004 747005584 /nfs/dbraw/zinc/00/55/84/747005584.db2.gz NYSXDSWOFNIKFQ-UHFFFAOYSA-N 0 2 289.247 1.557 10 5 CDBELN CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)[nH]n1 ZINC001610895933 1165475516 /nfs/dbraw/zinc/47/55/16/1165475516.db2.gz NZFXCCOCFWSNPY-UHFFFAOYSA-N 0 2 292.251 1.675 10 5 CDBELN O=C(C[C@H]1CCC(=O)NC1)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881719 1166795129 /nfs/dbraw/zinc/79/51/29/1166795129.db2.gz PAYGSAUOZFNVAH-MRVPVSSYSA-N 0 2 293.279 1.155 10 5 CDBELN Cn1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC001645088170 1167364712 /nfs/dbraw/zinc/36/47/12/1167364712.db2.gz RJVWVDMNONWSAR-UHFFFAOYSA-N 0 2 296.670 1.940 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc(CO)c1 ZINC001295971573 931508598 /nfs/dbraw/zinc/50/85/98/931508598.db2.gz DJFDNVORPWOYAR-UHFFFAOYSA-N 0 2 289.247 1.440 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc2ccnn21 ZINC001556080519 964992417 /nfs/dbraw/zinc/99/24/17/964992417.db2.gz IHKZQRBCZGZDJX-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN C[C@@H]1COCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342829738 361749517 /nfs/dbraw/zinc/74/95/17/361749517.db2.gz GLHNEZWAWYKNCZ-NXEZZACHSA-N 0 2 294.307 1.703 10 5 CDBELN CC[C@H](C)C[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000592871175 342742215 /nfs/dbraw/zinc/74/22/15/342742215.db2.gz JNNVWKWUERWIRX-UWVGGRQHSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600442943 342209055 /nfs/dbraw/zinc/20/90/55/342209055.db2.gz SLHZFJAIIMCNIQ-VXFNFUGZSA-N 0 2 294.307 1.842 10 5 CDBELN CC[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593731704 342830334 /nfs/dbraw/zinc/83/03/34/342830334.db2.gz BPMAGKPFTUNQSN-GFCCVEGCSA-N 0 2 294.307 1.904 10 5 CDBELN CC[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593731704 342830336 /nfs/dbraw/zinc/83/03/36/342830336.db2.gz BPMAGKPFTUNQSN-GFCCVEGCSA-N 0 2 294.307 1.904 10 5 CDBELN CC[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000593809581 342837917 /nfs/dbraw/zinc/83/79/17/342837917.db2.gz WYTOUBUBVICJGX-NXEZZACHSA-N 0 2 294.307 1.940 10 5 CDBELN COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000594396870 342895588 /nfs/dbraw/zinc/89/55/88/342895588.db2.gz GGOZIDJYFAAAEM-UHFFFAOYSA-N 0 2 280.280 1.457 10 5 CDBELN CO[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000597490997 343556917 /nfs/dbraw/zinc/55/69/17/343556917.db2.gz CFEMKDSDSIGZBH-UFBFGSQYSA-N 0 2 296.279 1.290 10 5 CDBELN C[C@]12COC[C@@H]1CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C2 ZINC000598226123 343738195 /nfs/dbraw/zinc/73/81/95/343738195.db2.gz NGOVMMMSCDRCNC-XPTSAGLGSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000598327026 343767377 /nfs/dbraw/zinc/76/73/77/343767377.db2.gz BYRQFSHYVXSVFO-RKDXNWHRSA-N 0 2 262.265 1.782 10 5 CDBELN O=C(N[C@@H]1CCCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000293383710 362555597 /nfs/dbraw/zinc/55/55/97/362555597.db2.gz LOFDJLPCMWHNPV-MRVPVSSYSA-N 0 2 266.253 1.209 10 5 CDBELN CC(C)N(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000292739277 198394145 /nfs/dbraw/zinc/39/41/45/198394145.db2.gz GTOXSCDKKDJCGR-JTQLQIEISA-N 0 2 294.307 1.940 10 5 CDBELN COCC(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336839262 356294140 /nfs/dbraw/zinc/29/41/40/356294140.db2.gz ONJHRLIMVAGXLB-UHFFFAOYSA-N 0 2 282.296 1.703 10 5 CDBELN CC(C)C[C@@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000186634176 357670002 /nfs/dbraw/zinc/67/00/02/357670002.db2.gz SAHFDSOGEVNTNE-NSHDSACASA-N 0 2 296.323 1.779 10 5 CDBELN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)n1cncn1 ZINC000166071450 358977232 /nfs/dbraw/zinc/97/72/32/358977232.db2.gz BPKYPIHSFDUMIM-SSDOTTSWSA-N 0 2 277.240 1.092 10 5 CDBELN CC[C@@](C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000456124128 363674801 /nfs/dbraw/zinc/67/48/01/363674801.db2.gz RVIKYAPMVMJELC-ZDUSSCGKSA-N 0 2 282.296 1.845 10 5 CDBELN C[C@H]1[C@H](CO)CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000414019276 360947841 /nfs/dbraw/zinc/94/78/41/360947841.db2.gz CDIJDSNIVSUFCL-UWVGGRQHSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1=COCCC1 ZINC000092546069 373704255 /nfs/dbraw/zinc/70/42/55/373704255.db2.gz VDHKGVBDMNOFGC-UHFFFAOYSA-N 0 2 264.237 1.933 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1CCO ZINC000451058414 390591280 /nfs/dbraw/zinc/59/12/80/390591280.db2.gz SXNFIORTHDYBAH-VIFPVBQESA-N 0 2 280.280 1.287 10 5 CDBELN O=C(NCCCn1cccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316440 140162944 /nfs/dbraw/zinc/16/29/44/140162944.db2.gz RQZZBKJVDPTDKE-UHFFFAOYSA-N 0 2 290.279 1.317 10 5 CDBELN O=C(NCc1ccoc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316617 140163806 /nfs/dbraw/zinc/16/38/06/140163806.db2.gz AHVKXDSVJVXRMU-UHFFFAOYSA-N 0 2 262.221 1.823 10 5 CDBELN Cc1nccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000235965273 140237457 /nfs/dbraw/zinc/23/74/57/140237457.db2.gz HCJCAANQBNPRDG-UHFFFAOYSA-N 0 2 288.263 1.329 10 5 CDBELN O=C(NCCCCF)c1cc(O)ccc1[N+](=O)[O-] ZINC000311006523 149207478 /nfs/dbraw/zinc/20/74/78/149207478.db2.gz OFKWCMGTLCISFM-UHFFFAOYSA-N 0 2 256.233 1.780 10 5 CDBELN CC(=O)C[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354194466 156318105 /nfs/dbraw/zinc/31/81/05/156318105.db2.gz IFQZAGBVIYZAHJ-ZETCQYMHSA-N 0 2 266.253 1.398 10 5 CDBELN CC[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000421996947 287285612 /nfs/dbraw/zinc/28/56/12/287285612.db2.gz WEZRTFQOANASEP-VHSXEESVSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@H]1CC[C@H](O)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000399210484 280720173 /nfs/dbraw/zinc/72/01/73/280720173.db2.gz FXQACPBNTNPXSL-WPRPVWTQSA-N 0 2 280.280 1.286 10 5 CDBELN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCOC1 ZINC000274726188 288922299 /nfs/dbraw/zinc/92/22/99/288922299.db2.gz FMCRKXVNPJNPON-SECBINFHSA-N 0 2 266.253 1.161 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCCC1 ZINC000281207878 304549694 /nfs/dbraw/zinc/54/96/94/304549694.db2.gz QGQMNJUTZBKEOZ-UHFFFAOYSA-N 0 2 250.254 1.927 10 5 CDBELN O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccc([N+](=O)[O-])c1[O-] ZINC001634085372 1166468014 /nfs/dbraw/zinc/46/80/14/1166468014.db2.gz XDOMVYGKLINKMG-SECBINFHSA-N 0 2 288.263 1.372 10 5 CDBELN CC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCNC1=O ZINC001610896630 1165475687 /nfs/dbraw/zinc/47/56/87/1165475687.db2.gz XUADUTSTRQIFHJ-CYBMUJFWSA-N 0 2 293.279 1.155 10 5 CDBELN CC[C@H](C[N+](=O)[O-])OC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001347431337 965523394 /nfs/dbraw/zinc/52/33/94/965523394.db2.gz XZAUIULFFVCDAB-DTWKUNHWSA-N 0 2 281.312 1.747 10 5 CDBELN CC1(C)OC[C@H]2C[C@]21NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600260142 341991247 /nfs/dbraw/zinc/99/12/47/341991247.db2.gz VPXJHJKWNUEZDP-CLAHSXSESA-N 0 2 292.291 1.598 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCCOC1 ZINC000402681355 342032251 /nfs/dbraw/zinc/03/22/51/342032251.db2.gz HZKDXMTYAXGIFP-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN CC[C@@H](C)C[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000592871177 342742287 /nfs/dbraw/zinc/74/22/87/342742287.db2.gz JNNVWKWUERWIRX-ZJUUUORDSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](CCF)C1 ZINC000600495970 342228199 /nfs/dbraw/zinc/22/81/99/342228199.db2.gz NDBNYBRLFNEDJN-SNVBAGLBSA-N 0 2 298.270 1.501 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCCC(=O)N1 ZINC000194476306 304003377 /nfs/dbraw/zinc/00/33/77/304003377.db2.gz HAPBYRIMFXNCLE-SECBINFHSA-N 0 2 293.279 1.298 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000361658599 304003667 /nfs/dbraw/zinc/00/36/67/304003667.db2.gz GEQJLPPIAVGQLU-AXTRIDKLSA-N 0 2 278.264 1.664 10 5 CDBELN CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000331320897 357369831 /nfs/dbraw/zinc/36/98/31/357369831.db2.gz LNGIIXAAEHSXFY-GHMZBOCLSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166146393 359698439 /nfs/dbraw/zinc/69/84/39/359698439.db2.gz QTKGSYAVIBJAMA-APPZFPTMSA-N 0 2 266.253 1.664 10 5 CDBELN CCCN(CC(C)(C)O)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295229992 369718963 /nfs/dbraw/zinc/71/89/63/369718963.db2.gz ZDFGOHBXKYLXTF-UHFFFAOYSA-N 0 2 296.323 1.924 10 5 CDBELN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCOC1 ZINC000162619160 375390247 /nfs/dbraw/zinc/39/02/47/375390247.db2.gz ZYWOZOKYHZNIPG-SECBINFHSA-N 0 2 266.253 1.161 10 5 CDBELN O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000069888830 379044332 /nfs/dbraw/zinc/04/43/32/379044332.db2.gz UXVLDPAGMUVDNV-DTWKUNHWSA-N 0 2 295.320 1.244 10 5 CDBELN O=C(NC[C@H]1CC12CC2)c1cccc(O)c1[N+](=O)[O-] ZINC000416253076 391889626 /nfs/dbraw/zinc/88/96/26/391889626.db2.gz CEOHPHCQVIPUPE-MRVPVSSYSA-N 0 2 262.265 1.830 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC000346621736 153248022 /nfs/dbraw/zinc/24/80/22/153248022.db2.gz BFQMNQLHIGVIBA-UHFFFAOYSA-N 0 2 276.208 1.048 10 5 CDBELN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])o1 ZINC000035297625 172110890 /nfs/dbraw/zinc/11/08/90/172110890.db2.gz XJPANSQRLYZMCN-SECBINFHSA-N 0 2 254.242 1.627 10 5 CDBELN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])o1 ZINC000035297625 172110892 /nfs/dbraw/zinc/11/08/92/172110892.db2.gz XJPANSQRLYZMCN-SECBINFHSA-N 0 2 254.242 1.627 10 5 CDBELN NNc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] ZINC000040656840 174365540 /nfs/dbraw/zinc/36/55/40/174365540.db2.gz IUWJKKXPNVUCPB-UHFFFAOYSA-N 0 2 281.663 1.462 10 5 CDBELN CC(C)c1csc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000047248929 278068289 /nfs/dbraw/zinc/06/82/89/278068289.db2.gz JOBAVFNAJHHINP-POYBYMJQSA-N 0 2 255.299 1.870 10 5 CDBELN CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331289708 288375095 /nfs/dbraw/zinc/37/50/95/288375095.db2.gz AWKJINNVJHFSMQ-SKDRFNHKSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)O1 ZINC000184575388 524869360 /nfs/dbraw/zinc/86/93/60/524869360.db2.gz CGEZAMJSMDPUGW-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN CC(C)c1nccnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000906427423 627271046 /nfs/dbraw/zinc/27/10/46/627271046.db2.gz LHTHWEVNBRVMJQ-HTQZYQBOSA-N 0 2 250.258 1.204 10 5 CDBELN CC(C)CONC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000802840901 756080859 /nfs/dbraw/zinc/08/08/59/756080859.db2.gz JXGZLVQCTYEEOW-UHFFFAOYSA-N 0 2 254.242 1.618 10 5 CDBELN COC(C)(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001178515036 915473753 /nfs/dbraw/zinc/47/37/53/915473753.db2.gz CUPNJOZFHXHEGT-QMMMGPOBSA-N 0 2 282.296 1.844 10 5 CDBELN COC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)C ZINC001558513380 965303345 /nfs/dbraw/zinc/30/33/45/965303345.db2.gz PRQAFBWPYZLWCE-JTQLQIEISA-N 0 2 296.323 1.949 10 5 CDBELN O=C(Nc1nccnc1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001531905379 969300751 /nfs/dbraw/zinc/30/07/51/969300751.db2.gz HFFUNINKTFNZSK-GHMZBOCLSA-N 0 2 284.275 1.747 10 5 CDBELN O=C(Nc1cc(CO)ccn1)c1ccc([N+](=O)[O-])cc1O ZINC001469241416 970236441 /nfs/dbraw/zinc/23/64/41/970236441.db2.gz RDWAUOUAZTUMAA-UHFFFAOYSA-N 0 2 289.247 1.440 10 5 CDBELN O=C(NCC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600169186 341982379 /nfs/dbraw/zinc/98/23/79/341982379.db2.gz AAAVNTCUJHRICS-JTQLQIEISA-N 0 2 294.307 1.847 10 5 CDBELN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600255656 341989664 /nfs/dbraw/zinc/98/96/64/341989664.db2.gz JXYIOIAXOZARPT-LKFCYVNXSA-N 0 2 292.291 1.598 10 5 CDBELN COC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436903145 362105032 /nfs/dbraw/zinc/10/50/32/362105032.db2.gz HMAAZZNFJKWVNU-VIFPVBQESA-N 0 2 266.253 1.161 10 5 CDBELN O=C(N[C@@H](CO)C1CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000597918553 343670139 /nfs/dbraw/zinc/67/01/39/343670139.db2.gz HQWVZOAMZSHJHG-NSHDSACASA-N 0 2 280.280 1.191 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2ncccc2C1 ZINC000611011715 346575567 /nfs/dbraw/zinc/57/55/67/346575567.db2.gz ZVAKSFVUCKCWNO-UHFFFAOYSA-N 0 2 299.286 1.894 10 5 CDBELN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCO1 ZINC000194745181 363061700 /nfs/dbraw/zinc/06/17/00/363061700.db2.gz WOHJJBQNZXQLED-QPUJVOFHSA-N 0 2 280.280 1.598 10 5 CDBELN CO[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000452835638 358762600 /nfs/dbraw/zinc/76/26/00/358762600.db2.gz MSSXEZFVCSGWTA-ZANVPECISA-N 0 2 294.307 1.797 10 5 CDBELN CCCC(=O)NCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166170813 359721803 /nfs/dbraw/zinc/72/18/03/359721803.db2.gz OKCLBRYCHHEJBV-UHFFFAOYSA-N 0 2 281.268 1.155 10 5 CDBELN C[C@@H]1C[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000412650859 240309468 /nfs/dbraw/zinc/30/94/68/240309468.db2.gz KTUSZMZXMGKUID-OPRDCNLKSA-N 0 2 294.307 1.844 10 5 CDBELN COC(=O)Cc1cc(Br)c(O)cc1[N+](=O)[O-] ZINC000575712282 373973049 /nfs/dbraw/zinc/97/30/49/373973049.db2.gz GPCSGOKSGMECDT-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN CC[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000278482935 194005731 /nfs/dbraw/zinc/00/57/31/194005731.db2.gz OVZZOJUTTHLXSB-QPUJVOFHSA-N 0 2 276.296 1.678 10 5 CDBELN CCN(C[C@@H](C)OC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000361086360 285015285 /nfs/dbraw/zinc/01/52/85/285015285.db2.gz SQFGIAVPWBSUMW-SECBINFHSA-N 0 2 282.296 1.797 10 5 CDBELN CC(C)(C)C(=O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281209028 195149551 /nfs/dbraw/zinc/14/95/51/195149551.db2.gz LNOHYQSTTFYGGL-UHFFFAOYSA-N 0 2 280.280 1.645 10 5 CDBELN O=C(NCC[C@@H]1CCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560985 140240195 /nfs/dbraw/zinc/24/01/95/140240195.db2.gz WNIQYCQADLVBOK-SECBINFHSA-N 0 2 280.280 1.457 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000314170674 149252329 /nfs/dbraw/zinc/25/23/29/149252329.db2.gz PXACNPVANPGBTQ-MRVPVSSYSA-N 0 2 290.279 1.525 10 5 CDBELN O=c1[nH]nc(Sc2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000343111990 152035823 /nfs/dbraw/zinc/03/58/23/152035823.db2.gz VELILTNOQUBZOD-UHFFFAOYSA-N 0 2 256.218 1.709 10 5 CDBELN C[C@H](C[C@H](C)O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354611436 156551688 /nfs/dbraw/zinc/55/16/88/156551688.db2.gz INZUEZYYZJHBPD-SFYZADRCSA-N 0 2 268.269 1.190 10 5 CDBELN O=C(NC[C@@H](CO)C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000359825725 158390314 /nfs/dbraw/zinc/39/03/14/158390314.db2.gz XDWXNVJKLOYYNP-VIFPVBQESA-N 0 2 280.280 1.049 10 5 CDBELN CC[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000421969217 287307313 /nfs/dbraw/zinc/30/73/13/287307313.db2.gz OMDOTEVFVGGRSC-GHMZBOCLSA-N 0 2 294.307 1.988 10 5 CDBELN O=C([O-])C1C[NH+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000071173576 176053238 /nfs/dbraw/zinc/05/32/38/176053238.db2.gz GDZKDIPVRZDLDI-UHFFFAOYSA-N 0 2 254.217 1.250 10 5 CDBELN CC(C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCOC1 ZINC000292708404 279314300 /nfs/dbraw/zinc/31/43/00/279314300.db2.gz FBAOBYOIOMLIAX-NSHDSACASA-N 0 2 294.307 1.940 10 5 CDBELN C[C@H]1C[C@@H](O)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000401843894 280734060 /nfs/dbraw/zinc/73/40/60/280734060.db2.gz IUKHHXWVPSWCEB-WCBMZHEXSA-N 0 2 280.280 1.143 10 5 CDBELN C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)O1 ZINC000413993711 297404525 /nfs/dbraw/zinc/40/45/25/297404525.db2.gz RNDGXDIUSHUFAB-KXUCPTDWSA-N 0 2 294.307 1.844 10 5 CDBELN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1nc[nH]n1 ZINC001655173319 1171676377 /nfs/dbraw/zinc/67/63/77/1171676377.db2.gz ZYGHUPFRFNWXLM-LBPRGKRZSA-N 0 2 289.295 1.756 10 5 CDBELN O=C(N[C@H](CCO)C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000797306957 773172272 /nfs/dbraw/zinc/17/22/72/773172272.db2.gz CXPDXTFNKQQNKE-LLVKDONJSA-N 0 2 280.280 1.191 10 5 CDBELN O=c1[nH]nc([C@@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)[nH]1 ZINC001655470724 1171696017 /nfs/dbraw/zinc/69/60/17/1171696017.db2.gz YNZVSGDVJVDDEV-SSDOTTSWSA-N 0 2 295.324 1.864 10 5 CDBELN CC(C)CC[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600308059 342057467 /nfs/dbraw/zinc/05/74/67/342057467.db2.gz JVRGJCATAUNANT-SNVBAGLBSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(NCCC1(CO)CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000593879469 342844098 /nfs/dbraw/zinc/84/40/98/342844098.db2.gz LADFGLPURHEEAV-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])O1 ZINC000600673460 342241206 /nfs/dbraw/zinc/24/12/06/342241206.db2.gz CUHJACLLNJMGQC-SKDRFNHKSA-N 0 2 280.280 1.269 10 5 CDBELN C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)[O-])O1 ZINC000600673460 342241207 /nfs/dbraw/zinc/24/12/07/342241207.db2.gz CUHJACLLNJMGQC-SKDRFNHKSA-N 0 2 280.280 1.269 10 5 CDBELN C[C@H](O)CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000594415766 342902560 /nfs/dbraw/zinc/90/25/60/342902560.db2.gz RLGKAHQLJDMPGZ-QMMMGPOBSA-N 0 2 280.280 1.286 10 5 CDBELN CO[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316794 536863323 /nfs/dbraw/zinc/86/33/23/536863323.db2.gz MVMKBQIRRNRZOF-SSDOTTSWSA-N 0 2 254.242 1.065 10 5 CDBELN CC1(C)OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598456240 343803451 /nfs/dbraw/zinc/80/34/51/343803451.db2.gz XPGMWJKBDHEYSJ-SNVBAGLBSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@H]1CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436709485 359270869 /nfs/dbraw/zinc/27/08/69/359270869.db2.gz NQCWOXFKBBGGAG-XVKPBYJWSA-N 0 2 250.254 1.829 10 5 CDBELN CCC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330595708 203017234 /nfs/dbraw/zinc/01/72/34/203017234.db2.gz CITYOBKDQDBTJH-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000298382476 373516615 /nfs/dbraw/zinc/51/66/15/373516615.db2.gz PTAQZTPMUDNLDQ-MWLCHTKSSA-N 0 2 294.307 1.581 10 5 CDBELN COC(=O)Cc1cc([N+](=O)[O-])c(Br)cc1O ZINC000575713182 373975041 /nfs/dbraw/zinc/97/50/41/373975041.db2.gz XMBONUBZGIZTIT-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000280881782 375027907 /nfs/dbraw/zinc/02/79/07/375027907.db2.gz YSBDJUGIGUEFEL-UHFFFAOYSA-N 0 2 291.307 1.221 10 5 CDBELN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=CC=Cc2ccccc2)[nH]1 ZINC000030843435 375679514 /nfs/dbraw/zinc/67/95/14/375679514.db2.gz WPCJKXZPNGDSQL-XEQVNJCQSA-N 0 2 285.259 1.698 10 5 CDBELN Cc1csc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000358233939 375958325 /nfs/dbraw/zinc/95/83/25/375958325.db2.gz OSARQQRRVQJLIA-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000217316205 390957023 /nfs/dbraw/zinc/95/70/23/390957023.db2.gz ZVIYZVQCSSNTAC-MRVPVSSYSA-N 0 2 266.253 1.161 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000354725148 391921537 /nfs/dbraw/zinc/92/15/37/391921537.db2.gz SZKGQILERUAYTJ-NOZJJQNGSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000281153931 393153027 /nfs/dbraw/zinc/15/30/27/393153027.db2.gz HQZHXMNMBQJSHE-QMMMGPOBSA-N 0 2 250.254 1.782 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cn[nH]c1 ZINC000229974059 140204690 /nfs/dbraw/zinc/20/46/90/140204690.db2.gz RHIDFNCMBHZXIP-SSDOTTSWSA-N 0 2 276.252 1.515 10 5 CDBELN CC(C)C[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346818575 153311089 /nfs/dbraw/zinc/31/10/89/153311089.db2.gz GTTOSCXFPIQOLK-SECBINFHSA-N 0 2 282.296 1.437 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)[C@@H](C)O1 ZINC000438417994 296921321 /nfs/dbraw/zinc/92/13/21/296921321.db2.gz IBEATMRJFNWDIK-OPRDCNLKSA-N 0 2 294.307 1.938 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000235675221 280127358 /nfs/dbraw/zinc/12/73/58/280127358.db2.gz HRIYXGNZHVQUIH-VIFPVBQESA-N 0 2 294.307 1.940 10 5 CDBELN CO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@@H]1C ZINC000188042246 293825935 /nfs/dbraw/zinc/82/59/35/293825935.db2.gz LNQZSSOJLDHRRM-TVQRCGJNSA-N 0 2 294.307 1.797 10 5 CDBELN CCc1[nH][nH]c(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000353343426 523657813 /nfs/dbraw/zinc/65/78/13/523657813.db2.gz DLJYGXRYKOFYLU-UHFFFAOYSA-N 0 2 290.279 1.569 10 5 CDBELN COC1(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000314701389 536617896 /nfs/dbraw/zinc/61/78/96/536617896.db2.gz GYCVFMBWMHETAH-UHFFFAOYSA-N 0 2 294.307 1.989 10 5 CDBELN Cc1nocc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001631756230 1166300851 /nfs/dbraw/zinc/30/08/51/1166300851.db2.gz SNPYZEASJLELGY-UHFFFAOYSA-N 0 2 263.209 1.849 10 5 CDBELN Cc1nocc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000402659542 1184538406 /nfs/dbraw/zinc/53/84/06/1184538406.db2.gz NSOLLCSOGWNPNE-UHFFFAOYSA-N 0 2 263.209 1.849 10 5 CDBELN CCn1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C(F)(F)F ZINC001530850043 969194394 /nfs/dbraw/zinc/19/43/94/969194394.db2.gz RXPBDHOFOSDDHQ-IYSWYEEDSA-N 0 2 292.217 1.526 10 5 CDBELN COc1cc(NCc2n[nH]c(=O)[nH]2)c(Cl)cc1[N+](=O)[O-] ZINC001458235591 969272667 /nfs/dbraw/zinc/27/26/67/969272667.db2.gz AHIMZHDZFRVIRD-UHFFFAOYSA-N 0 2 299.674 1.693 10 5 CDBELN CC1(c2nc(=NC(=O)c3ccc([N+](=O)[O-])o3)s[nH]2)CC1 ZINC000600226799 341987298 /nfs/dbraw/zinc/98/72/98/341987298.db2.gz BAJTXYPMFPXKNP-UHFFFAOYSA-N 0 2 294.292 1.765 10 5 CDBELN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](C)C1O ZINC000598191616 343727417 /nfs/dbraw/zinc/72/74/17/343727417.db2.gz ZGKLXAIONKWYFM-IUCAKERBSA-N 0 2 294.307 1.389 10 5 CDBELN O=C(NC1(CF)CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000456064041 362853618 /nfs/dbraw/zinc/85/36/18/362853618.db2.gz UUVMNMZFDFMDHB-UHFFFAOYSA-N 0 2 298.270 1.549 10 5 CDBELN O=c1[nH]nc(Sc2ncnc3cccc([N+](=O)[O-])c32)[nH]1 ZINC000337941345 358514744 /nfs/dbraw/zinc/51/47/44/358514744.db2.gz DZOKXCHLOPHWJE-UHFFFAOYSA-N 0 2 290.264 1.513 10 5 CDBELN O=C(NC[C@H]1CCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000436670705 359073914 /nfs/dbraw/zinc/07/39/14/359073914.db2.gz SHPWHXIKRVAOSH-KCJUWKMLSA-N 0 2 280.280 1.191 10 5 CDBELN COCC1(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000572485807 360950555 /nfs/dbraw/zinc/95/05/55/360950555.db2.gz BPACXIGOAMCUCT-UHFFFAOYSA-N 0 2 294.307 1.847 10 5 CDBELN CN(CC1(CO)CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351987644 367226998 /nfs/dbraw/zinc/22/69/98/367226998.db2.gz XFTSAHVEJNHEKH-UHFFFAOYSA-N 0 2 280.280 1.145 10 5 CDBELN C[C@@H](O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272864519 372189304 /nfs/dbraw/zinc/18/93/04/372189304.db2.gz SHXGNRNJFKSSDT-SSDOTTSWSA-N 0 2 268.269 1.190 10 5 CDBELN CO[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000217316841 375612501 /nfs/dbraw/zinc/61/25/01/375612501.db2.gz OKEPLPSXTJHMFP-ZANVPECISA-N 0 2 294.307 1.797 10 5 CDBELN COCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)co1 ZINC000547837272 377850254 /nfs/dbraw/zinc/85/02/54/377850254.db2.gz RXRQZPVIJPDZHU-UHFFFAOYSA-N 0 2 293.235 1.687 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000234294873 140229358 /nfs/dbraw/zinc/22/93/58/140229358.db2.gz XLEOQGVXMSUNKJ-QMMMGPOBSA-N 0 2 282.321 1.878 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(CO)CC1 ZINC000236472685 140240257 /nfs/dbraw/zinc/24/02/57/140240257.db2.gz PJAOPNACVHXQHR-UHFFFAOYSA-N 0 2 280.280 1.145 10 5 CDBELN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000103255990 147168153 /nfs/dbraw/zinc/16/81/53/147168153.db2.gz VJOKQYUEYKOZSL-UHFFFAOYSA-N 0 2 267.270 1.644 10 5 CDBELN CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000058421738 411685290 /nfs/dbraw/zinc/68/52/90/411685290.db2.gz UUHXUTZNZIYIDA-RKDXNWHRSA-N 0 2 252.274 1.143 10 5 CDBELN COc1ccccc1Oc1ncnc(NN)c1[N+](=O)[O-] ZINC000040656843 174365338 /nfs/dbraw/zinc/36/53/38/174365338.db2.gz WJQYEVOBXZSLLT-UHFFFAOYSA-N 0 2 277.240 1.471 10 5 CDBELN O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000552188504 290057634 /nfs/dbraw/zinc/05/76/34/290057634.db2.gz BFWGXZJUABGFCF-UHFFFAOYSA-N 0 2 288.263 1.194 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H](O)CC1 ZINC000294863542 304549894 /nfs/dbraw/zinc/54/98/94/304549894.db2.gz ODFAVDNPXPOMBY-SECBINFHSA-N 0 2 280.280 1.287 10 5 CDBELN O=C(NC1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280752077 303740889 /nfs/dbraw/zinc/74/08/89/303740889.db2.gz LDWIPEDIYWIYFU-UHFFFAOYSA-N 0 2 250.254 1.973 10 5 CDBELN Cn1cnc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001637881421 1166794322 /nfs/dbraw/zinc/79/43/22/1166794322.db2.gz ISARTSBUMRGSRO-DJWKRKHSSA-N 0 2 288.263 1.686 10 5 CDBELN COC(=O)[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC001610895675 1165475679 /nfs/dbraw/zinc/47/56/79/1165475679.db2.gz MRYQCRRBXCYDDU-OCAPTIKFSA-N 0 2 294.263 1.438 10 5 CDBELN CSc1cccnc1NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001632006712 1166321815 /nfs/dbraw/zinc/32/18/15/1166321815.db2.gz RZRXDDRQERCMDL-UHFFFAOYSA-N 0 2 293.308 1.996 10 5 CDBELN O=C(CCC1(O)CCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC001637881799 1166796340 /nfs/dbraw/zinc/79/63/40/1166796340.db2.gz TWRSMFGDKZVCQA-UHFFFAOYSA-N 0 2 280.280 1.934 10 5 CDBELN O=C(NC1CC(CCO)C1)c1ccc([N+](=O)[O-])cc1O ZINC001180256697 916226342 /nfs/dbraw/zinc/22/63/42/916226342.db2.gz HQQBYSCPTGOCBG-UHFFFAOYSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(n2cccn2)CC1 ZINC001138013639 936454216 /nfs/dbraw/zinc/45/42/16/936454216.db2.gz SROJMQHGSBWIQF-UHFFFAOYSA-N 0 2 288.263 1.625 10 5 CDBELN O=C(NC1CSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000705232348 922954002 /nfs/dbraw/zinc/95/40/02/922954002.db2.gz HEPLFKCSNYNIPC-UHFFFAOYSA-N 0 2 254.267 1.146 10 5 CDBELN COc1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC2 ZINC000856078653 928539096 /nfs/dbraw/zinc/53/90/96/928539096.db2.gz VQNPKIWAGNUHPX-DGCLKSJQSA-N 0 2 276.292 1.640 10 5 CDBELN O=C(/C=C/[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000819431041 930807788 /nfs/dbraw/zinc/80/77/88/930807788.db2.gz OKZRGEQIURRWCM-DFVUYQKZSA-N 0 2 278.264 1.974 10 5 CDBELN O=c1[nH]nc(CNc2ncc([N+](=O)[O-])c3ccccc32)[nH]1 ZINC001559130280 965404824 /nfs/dbraw/zinc/40/48/24/965404824.db2.gz BCFNJQJTVGJZSP-UHFFFAOYSA-N 0 2 286.251 1.579 10 5 CDBELN C[C@H]1COCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342829740 361749688 /nfs/dbraw/zinc/74/96/88/361749688.db2.gz GLHNEZWAWYKNCZ-VHSXEESVSA-N 0 2 294.307 1.703 10 5 CDBELN CC[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593809582 342837961 /nfs/dbraw/zinc/83/79/61/342837961.db2.gz WYTOUBUBVICJGX-UWVGGRQHSA-N 0 2 294.307 1.940 10 5 CDBELN C[C@@H](COCC1CC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593858525 342841442 /nfs/dbraw/zinc/84/14/42/342841442.db2.gz IFXQJFVVVDVZFZ-VIFPVBQESA-N 0 2 294.307 1.845 10 5 CDBELN CCC[C@@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295007374 199296716 /nfs/dbraw/zinc/29/67/16/199296716.db2.gz BFLJXODZQGQKMZ-MRVPVSSYSA-N 0 2 268.269 1.191 10 5 CDBELN C[C@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)O1 ZINC000598214274 343734596 /nfs/dbraw/zinc/73/45/96/343734596.db2.gz SOJMMQFIDNGGIR-GXSJLCMTSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H](O)[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598239090 343746661 /nfs/dbraw/zinc/74/66/61/343746661.db2.gz UGCNACNSFZBYMP-PSASIEDQSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000598395626 343784998 /nfs/dbraw/zinc/78/49/98/343784998.db2.gz QBLXNCZTWAYGST-ZJUUUORDSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCSCC1 ZINC000236560448 363239524 /nfs/dbraw/zinc/23/95/24/363239524.db2.gz SGVJICFVYMMLLJ-UHFFFAOYSA-N 0 2 268.294 1.489 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1=NCCCCN1 ZINC000256030291 357589061 /nfs/dbraw/zinc/58/90/61/357589061.db2.gz LVHLTVKYNAYMDZ-UHFFFAOYSA-N 0 2 278.268 1.021 10 5 CDBELN COC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000135341860 358231363 /nfs/dbraw/zinc/23/13/63/358231363.db2.gz AEAKLBXTZSNCLF-SSDOTTSWSA-N 0 2 254.242 1.521 10 5 CDBELN O=C(COC[C@H]1CCCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000541586528 358401390 /nfs/dbraw/zinc/40/13/90/358401390.db2.gz YRKOUMOVFSTCAR-SNVBAGLBSA-N 0 2 296.279 1.435 10 5 CDBELN CO[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000452835634 358762680 /nfs/dbraw/zinc/76/26/80/358762680.db2.gz MSSXEZFVCSGWTA-NOZJJQNGSA-N 0 2 294.307 1.797 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(C1)CCCOC2 ZINC000367939342 371162857 /nfs/dbraw/zinc/16/28/57/371162857.db2.gz SWDJYXVFSUTMSB-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(C1)CCCOC2 ZINC000368182211 371817592 /nfs/dbraw/zinc/81/75/92/371817592.db2.gz XOVGRXYZNHEWLE-UHFFFAOYSA-N 0 2 292.291 1.553 10 5 CDBELN CO[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000356452083 375846149 /nfs/dbraw/zinc/84/61/49/375846149.db2.gz HYOJFLDCBVGDMR-LBPRGKRZSA-N 0 2 280.280 1.455 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]1C1CC1 ZINC000452491486 252078041 /nfs/dbraw/zinc/07/80/41/252078041.db2.gz VKLSBTTYQCSSNS-LLVKDONJSA-N 0 2 262.265 1.925 10 5 CDBELN COC[C@H]1CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000567955005 391556310 /nfs/dbraw/zinc/55/63/10/391556310.db2.gz SETATSYLFUXDJK-MRVPVSSYSA-N 0 2 266.253 1.161 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)[C@@H](C)O1 ZINC000438408741 392071561 /nfs/dbraw/zinc/07/15/61/392071561.db2.gz DVJSCWFLOZPWAR-KXUCPTDWSA-N 0 2 294.307 1.938 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCC1=O ZINC000193129405 393229190 /nfs/dbraw/zinc/22/91/90/393229190.db2.gz IAPMJNUIPHVLRK-MRVPVSSYSA-N 0 2 278.264 1.352 10 5 CDBELN Cc1c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000227882621 140188104 /nfs/dbraw/zinc/18/81/04/140188104.db2.gz YKPFKBACZRSQDL-UHFFFAOYSA-N 0 2 290.279 1.272 10 5 CDBELN O=C(Nc1cncnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000232090117 140219839 /nfs/dbraw/zinc/21/98/39/140219839.db2.gz NMLYWYKXEPYRCI-UHFFFAOYSA-N 0 2 260.209 1.343 10 5 CDBELN Cc1cc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)on1 ZINC000343118335 152039767 /nfs/dbraw/zinc/03/97/67/152039767.db2.gz OBBAFRXKYRGYFJ-UHFFFAOYSA-N 0 2 291.263 1.569 10 5 CDBELN CCn1cc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000343165686 152056532 /nfs/dbraw/zinc/05/65/32/152056532.db2.gz NKOMTGCBIJIFJD-UHFFFAOYSA-N 0 2 290.279 1.447 10 5 CDBELN Cc1noc(C)c1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343269057 152093943 /nfs/dbraw/zinc/09/39/43/152093943.db2.gz ITJLCANJHQLWGK-UHFFFAOYSA-N 0 2 291.263 1.835 10 5 CDBELN C[C@H](O)CC(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343764232 152294971 /nfs/dbraw/zinc/29/49/71/152294971.db2.gz KPRARJPPSSMAOT-VIFPVBQESA-N 0 2 296.323 1.827 10 5 CDBELN CC[C@@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346380520 153162141 /nfs/dbraw/zinc/16/21/41/153162141.db2.gz NNNOSQHKFDSGFP-GFCCVEGCSA-N 0 2 268.269 1.191 10 5 CDBELN CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000313433493 287173477 /nfs/dbraw/zinc/17/34/77/287173477.db2.gz CEHPWCKLSHNPOR-LLVKDONJSA-N 0 2 294.307 1.942 10 5 CDBELN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000037387567 173171093 /nfs/dbraw/zinc/17/10/93/173171093.db2.gz RGSUCCBBYMNMFE-UHFFFAOYSA-N 0 2 296.308 1.736 10 5 CDBELN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1nc2ccccn2c1[N+](=O)[O-] ZINC000044620466 175219299 /nfs/dbraw/zinc/21/92/99/175219299.db2.gz MWWVOSZLUVFMCZ-JTQLQIEISA-N 0 2 292.295 1.538 10 5 CDBELN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1nc2ccccn2c1[N+](=O)[O-] ZINC000044620466 175219300 /nfs/dbraw/zinc/21/93/00/175219300.db2.gz MWWVOSZLUVFMCZ-JTQLQIEISA-N 0 2 292.295 1.538 10 5 CDBELN CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000352708088 288272788 /nfs/dbraw/zinc/27/27/88/288272788.db2.gz VAMSNLGFHNSTBZ-ONGXEEELSA-N 0 2 294.307 1.940 10 5 CDBELN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1O ZINC000408409993 299958472 /nfs/dbraw/zinc/95/84/72/299958472.db2.gz HQYOLJCKGOLFGP-QPUJVOFHSA-N 0 2 280.280 1.143 10 5 CDBELN C[C@H]1COCC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336831528 300356377 /nfs/dbraw/zinc/35/63/77/300356377.db2.gz PZIZXVGNZQRNEV-GZMMTYOYSA-N 0 2 280.280 1.455 10 5 CDBELN C[C@H]1COC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184808965 300361930 /nfs/dbraw/zinc/36/19/30/300361930.db2.gz YKARVBHLIUVDIR-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000183910781 527236101 /nfs/dbraw/zinc/23/61/01/527236101.db2.gz IFYKNSYUANHHNT-SNVBAGLBSA-N 0 2 252.226 1.418 10 5 CDBELN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ncn1 ZINC001637884983 1166796388 /nfs/dbraw/zinc/79/63/88/1166796388.db2.gz CXODKUAFSKPFGX-UHFFFAOYSA-N 0 2 290.235 1.351 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nn(C)cc1O ZINC001603110849 1175493966 /nfs/dbraw/zinc/49/39/66/1175493966.db2.gz ZOMCZKTXSJMZAQ-ZCFIWIBFSA-N 0 2 296.308 1.586 10 5 CDBELN CSCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccnc1 ZINC000875856768 1165767529 /nfs/dbraw/zinc/76/75/29/1165767529.db2.gz YJWDJXYTKMMZLF-VXGBXAGGSA-N 0 2 295.364 1.833 10 5 CDBELN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(OC)OC ZINC000816340104 930238681 /nfs/dbraw/zinc/23/86/81/930238681.db2.gz WCFOAWKMIUELCT-SNVBAGLBSA-N 0 2 298.295 1.428 10 5 CDBELN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cnccn1 ZINC001556080769 964993387 /nfs/dbraw/zinc/99/33/87/964993387.db2.gz UFCMMJPECCBCLN-QMMMGPOBSA-N 0 2 288.263 1.833 10 5 CDBELN CCc1[nH]cnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001447265534 966737302 /nfs/dbraw/zinc/73/73/02/966737302.db2.gz MQAZRWFGLQUFCB-UHFFFAOYSA-N 0 2 276.252 1.838 10 5 CDBELN O=C(Nc1cccc2[nH]nnc21)c1ccc([N+](=O)[O-])[nH]1 ZINC001449936080 967600255 /nfs/dbraw/zinc/60/02/55/967600255.db2.gz CGZXJZVIIKEITR-UHFFFAOYSA-N 0 2 272.224 1.447 10 5 CDBELN O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000598294699 343757609 /nfs/dbraw/zinc/75/76/09/343757609.db2.gz GUWMUNIZPZDTEG-WDEREUQCSA-N 0 2 292.291 1.334 10 5 CDBELN O=c1cc(C[C@@H]2CCCO2)[nH]n1-c1ccc([N+](=O)[O-])cn1 ZINC000601934053 344285344 /nfs/dbraw/zinc/28/53/44/344285344.db2.gz XHVAWIWFEYYHTN-NSHDSACASA-N 0 2 290.279 1.652 10 5 CDBELN CO[C@@H](C)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297169101 293416603 /nfs/dbraw/zinc/41/66/03/293416603.db2.gz WMEFUCPRHRNEJQ-QMMMGPOBSA-N 0 2 268.269 1.455 10 5 CDBELN O=C(NCC(F)(F)C(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000230710006 140213235 /nfs/dbraw/zinc/21/32/35/140213235.db2.gz SNFMICIZBFBVJF-UHFFFAOYSA-N 0 2 296.176 1.931 10 5 CDBELN CO[C@@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000291892453 198098300 /nfs/dbraw/zinc/09/83/00/198098300.db2.gz OYZWHSOYQMHLDC-SFYZADRCSA-N 0 2 268.269 1.454 10 5 CDBELN CO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000286136903 356223914 /nfs/dbraw/zinc/22/39/14/356223914.db2.gz XETDMIHFWVEKCF-AOOOYVTPSA-N 0 2 280.280 1.550 10 5 CDBELN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](C)O ZINC000456229702 364038648 /nfs/dbraw/zinc/03/86/48/364038648.db2.gz LMPUJVQTSMPIEL-XCBNKYQSSA-N 0 2 268.269 1.190 10 5 CDBELN CO[C@H]([C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000388279054 374607449 /nfs/dbraw/zinc/60/74/49/374607449.db2.gz KFGZLWNGKDKSIJ-ISVAXAHUSA-N 0 2 294.307 1.844 10 5 CDBELN CN(Cc1cnccn1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000172234179 377385180 /nfs/dbraw/zinc/38/51/80/377385180.db2.gz DFKZKAHMLXBZGS-UHFFFAOYSA-N 0 2 288.263 1.363 10 5 CDBELN CCc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000436525364 249423572 /nfs/dbraw/zinc/42/35/72/249423572.db2.gz NAFBFTAPVKGMDG-UHFFFAOYSA-N 0 2 292.251 1.176 10 5 CDBELN CC(C)c1nn(C)cc1Nc1ncc([N+](=O)[O-])cn1 ZINC000281067395 195090814 /nfs/dbraw/zinc/09/08/14/195090814.db2.gz UIPHNGNCGQXFQO-UHFFFAOYSA-N 0 2 262.273 1.985 10 5 CDBELN C[C@@H]1C[C@@H](O)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000401843892 390547944 /nfs/dbraw/zinc/54/79/44/390547944.db2.gz IUKHHXWVPSWCEB-PSASIEDQSA-N 0 2 280.280 1.143 10 5 CDBELN C[C@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000217315988 140163299 /nfs/dbraw/zinc/16/32/99/140163299.db2.gz NBYJOBRBMGPNAS-CYBMUJFWSA-N 0 2 280.280 1.599 10 5 CDBELN CCC(CC)[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354056394 156243398 /nfs/dbraw/zinc/24/33/98/156243398.db2.gz HOTDBWWHDJBULB-CYBMUJFWSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCSCC1 ZINC000236560343 280128670 /nfs/dbraw/zinc/12/86/70/280128670.db2.gz AFGHPUFHASTQCH-UHFFFAOYSA-N 0 2 282.321 1.880 10 5 CDBELN CCCN(CC(C)(C)O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552070464 290047593 /nfs/dbraw/zinc/04/75/93/290047593.db2.gz QROUZKJMAPPXRN-UHFFFAOYSA-N 0 2 296.323 1.924 10 5 CDBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCC1=O ZINC000193129424 300194839 /nfs/dbraw/zinc/19/48/39/300194839.db2.gz IAPMJNUIPHVLRK-QMMMGPOBSA-N 0 2 278.264 1.352 10 5 CDBELN O=C(Nc1c[nH]nc1C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001645299157 1167386711 /nfs/dbraw/zinc/38/67/11/1167386711.db2.gz MKDHRTVBASQBQI-NQXXGFSBSA-N 0 2 264.163 1.032 10 5 CDBELN O=C(CCCCO)Nc1cc([N+](=O)[O-])ccc1O ZINC000236488643 1178305914 /nfs/dbraw/zinc/30/59/14/1178305914.db2.gz DZMHOPSEDZONHR-UHFFFAOYSA-N 0 2 254.242 1.402 10 5 CDBELN Cc1sc(C(=O)Nn2ccccc2=O)cc1[N+](=O)[O-] ZINC000777785799 787344190 /nfs/dbraw/zinc/34/41/90/787344190.db2.gz XDONUEFYWXMHQV-UHFFFAOYSA-N 0 2 279.277 1.510 10 5 CDBELN C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCNC(=O)C1 ZINC001466629064 969981332 /nfs/dbraw/zinc/98/13/32/969981332.db2.gz PFZVEWQMZZHXGU-ZDUSSCGKSA-N 0 2 293.279 1.155 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@H]1CO ZINC001469569423 970256427 /nfs/dbraw/zinc/25/64/27/970256427.db2.gz MJLNXGLOQZZJTA-NSHDSACASA-N 0 2 294.307 1.678 10 5 CDBELN CN(C[C@@H](O)C1CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586795366 342470152 /nfs/dbraw/zinc/47/01/52/342470152.db2.gz DFNDBHQLRKHYNH-GFCCVEGCSA-N 0 2 280.280 1.143 10 5 CDBELN O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000600519200 342229760 /nfs/dbraw/zinc/22/97/60/342229760.db2.gz BNTZRMWXHLSYNH-ZANVPECISA-N 0 2 292.291 1.598 10 5 CDBELN COc1nn(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436985685 362247287 /nfs/dbraw/zinc/24/72/87/362247287.db2.gz FLNXMHFLJRIMHE-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN CC(C)(F)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000601687338 344224600 /nfs/dbraw/zinc/22/46/00/344224600.db2.gz AZNLUZQYCVXMRV-UHFFFAOYSA-N 0 2 256.233 1.778 10 5 CDBELN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnoc1 ZINC000604542393 344899721 /nfs/dbraw/zinc/89/97/21/344899721.db2.gz RMUOEMMYGXDMAN-UHFFFAOYSA-N 0 2 299.264 1.392 10 5 CDBELN COc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1C ZINC000436617664 358879255 /nfs/dbraw/zinc/87/92/55/358879255.db2.gz JAIYVXFTUOLBSP-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000412718034 240334370 /nfs/dbraw/zinc/33/43/70/240334370.db2.gz MDKFGYJERIJOKI-DGCLKSJQSA-N 0 2 296.323 1.826 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]2OCC[C@@H]2C1 ZINC000563959287 365359966 /nfs/dbraw/zinc/35/99/66/365359966.db2.gz FYVHOXDZNCZQLB-RNCFNFMXSA-N 0 2 292.291 1.551 10 5 CDBELN Nc1cc([N+](=O)[O-])cc(I)c1O ZINC000575727336 374133891 /nfs/dbraw/zinc/13/38/91/374133891.db2.gz CVKWKMGPIQKIDN-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN C[C@@H]1COCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000370578561 374395758 /nfs/dbraw/zinc/39/57/58/374395758.db2.gz AMTAUWFRQQZOGH-VIFPVBQESA-N 0 2 280.280 1.409 10 5 CDBELN CCN(CCC(=O)OC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354084665 375673077 /nfs/dbraw/zinc/67/30/77/375673077.db2.gz FMWQCBGNDNWOLQ-UHFFFAOYSA-N 0 2 296.279 1.326 10 5 CDBELN Cn1nccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000444331558 250122839 /nfs/dbraw/zinc/12/28/39/250122839.db2.gz PGMWBVFNIRKBAR-UHFFFAOYSA-N 0 2 276.252 1.215 10 5 CDBELN CCN(C[C@H](C)OC)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000292415715 285074842 /nfs/dbraw/zinc/07/48/42/285074842.db2.gz ZUJGWDXBJRIDSD-VIFPVBQESA-N 0 2 282.296 1.797 10 5 CDBELN C[C@H]1CC[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000399221043 391672496 /nfs/dbraw/zinc/67/24/96/391672496.db2.gz IXMNBYPLGICYQT-WCBMZHEXSA-N 0 2 280.280 1.286 10 5 CDBELN CN(CC1(O)CCCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316755 140163304 /nfs/dbraw/zinc/16/33/04/140163304.db2.gz AGDGHMCTFLYRPJ-UHFFFAOYSA-N 0 2 294.307 1.678 10 5 CDBELN O=C(NC[C@H]1CC[C@@H](O)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000334002899 149295446 /nfs/dbraw/zinc/29/54/46/149295446.db2.gz CBKWDDOOIBTYGV-DTWKUNHWSA-N 0 2 280.280 1.191 10 5 CDBELN Cc1nnc([C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])[nH]1 ZINC000343362325 152138774 /nfs/dbraw/zinc/13/87/74/152138774.db2.gz SHSKGZCBQYTQQS-ZCFIWIBFSA-N 0 2 291.267 1.218 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1nccn2ccnc12 ZINC000346329896 153142154 /nfs/dbraw/zinc/14/21/54/153142154.db2.gz SBACKIXHYPUEEF-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN COc1ccc(Oc2ncnc(NN)c2[N+](=O)[O-])cc1 ZINC000040656845 174365389 /nfs/dbraw/zinc/36/53/89/174365389.db2.gz HRYYYYBSPBIUIO-UHFFFAOYSA-N 0 2 277.240 1.471 10 5 CDBELN Nc1ccncc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000071228141 176090703 /nfs/dbraw/zinc/09/07/03/176090703.db2.gz JRAVPEGSVKMRTR-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])s1 ZINC000077253517 177242876 /nfs/dbraw/zinc/24/28/76/177242876.db2.gz VZZJLVSBGXAHBZ-MRVPVSSYSA-N 0 2 256.283 1.705 10 5 CDBELN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])s1 ZINC000077253517 177242878 /nfs/dbraw/zinc/24/28/78/177242878.db2.gz VZZJLVSBGXAHBZ-MRVPVSSYSA-N 0 2 256.283 1.705 10 5 CDBELN CC[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000421969220 288341547 /nfs/dbraw/zinc/34/15/47/288341547.db2.gz OMDOTEVFVGGRSC-QWRGUYRKSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184808984 297147504 /nfs/dbraw/zinc/14/75/04/297147504.db2.gz YKARVBHLIUVDIR-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN COC(=O)[C@H](C)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234529083 523862974 /nfs/dbraw/zinc/86/29/74/523862974.db2.gz BJNXWPLWOSFFJO-MRVPVSSYSA-N 0 2 296.279 1.182 10 5 CDBELN COC[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234700021 536831312 /nfs/dbraw/zinc/83/13/12/536831312.db2.gz ZXCVNCXHXFTTIY-MRVPVSSYSA-N 0 2 268.269 1.313 10 5 CDBELN O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1[nH]cc[nH+]1 ZINC000731156414 575036067 /nfs/dbraw/zinc/03/60/67/575036067.db2.gz DTDRVGXOVKELBG-UPHRSURJSA-N 0 2 260.209 1.582 10 5 CDBELN C[C@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)[C@H]1CCCO1 ZINC000903826688 626104860 /nfs/dbraw/zinc/10/48/60/626104860.db2.gz VDOLFNQBYPVUSC-JQCXWYLXSA-N 0 2 253.258 1.485 10 5 CDBELN CC(C)(F)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 ZINC001289939855 954008674 /nfs/dbraw/zinc/00/86/74/954008674.db2.gz QJZSDBGBEJFPOS-PHDIDXHHSA-N 0 2 257.221 1.483 10 5 CDBELN CCN(C[C@@H]1CCOC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586753542 342466354 /nfs/dbraw/zinc/46/63/54/342466354.db2.gz XWPUKICXPSTRJI-JTQLQIEISA-N 0 2 294.307 1.799 10 5 CDBELN CC(C)CC[C@@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600308058 342057418 /nfs/dbraw/zinc/05/74/18/342057418.db2.gz JVRGJCATAUNANT-JTQLQIEISA-N 0 2 296.323 1.827 10 5 CDBELN CCOCCOCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000340543233 361803746 /nfs/dbraw/zinc/80/37/46/361803746.db2.gz IVUOMMIXMFTAHS-UHFFFAOYSA-N 0 2 284.268 1.292 10 5 CDBELN CC1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969888 362156969 /nfs/dbraw/zinc/15/69/69/362156969.db2.gz ZWUWIZNSJDYPJT-SNVBAGLBSA-N 0 2 250.254 1.829 10 5 CDBELN COC[C@@H](CCNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000597894945 343660753 /nfs/dbraw/zinc/66/07/53/343660753.db2.gz WVNIVUIHGQNKPF-SECBINFHSA-N 0 2 298.295 1.082 10 5 CDBELN COC[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166142742 188635364 /nfs/dbraw/zinc/63/53/64/188635364.db2.gz MNCYARSZPIOWIE-SSDOTTSWSA-N 0 2 254.242 1.521 10 5 CDBELN O=C(NCC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000436837133 364965854 /nfs/dbraw/zinc/96/58/54/364965854.db2.gz JGKYVAPISZBOKY-SECBINFHSA-N 0 2 280.280 1.457 10 5 CDBELN C[C@@H]1CCOCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000371639936 370371108 /nfs/dbraw/zinc/37/11/08/370371108.db2.gz ZUUPQPSRGRTIGD-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2C[C@H]1CS2 ZINC000458319049 373227995 /nfs/dbraw/zinc/22/79/95/373227995.db2.gz KDIUCLQIXNQWKN-IUCAKERBSA-N 0 2 280.305 1.630 10 5 CDBELN COCCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280798512 375023592 /nfs/dbraw/zinc/02/35/92/375023592.db2.gz PUOAYAFYHSAFMW-UHFFFAOYSA-N 0 2 254.242 1.067 10 5 CDBELN C[C@H](O)C[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283331318 375112956 /nfs/dbraw/zinc/11/29/56/375112956.db2.gz HGLWNPLKPXDEOD-VHSXEESVSA-N 0 2 294.307 1.676 10 5 CDBELN O=C(N[C@@H](CO)CC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000355334197 375791129 /nfs/dbraw/zinc/79/11/29/375791129.db2.gz CLVRJQDTCJUHFK-ZCFIWIBFSA-N 0 2 290.222 1.046 10 5 CDBELN C[C@@H]1C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000401857874 390566979 /nfs/dbraw/zinc/56/69/79/390566979.db2.gz OVGZMHVAPMUBBR-PSASIEDQSA-N 0 2 280.280 1.143 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCS1 ZINC000280915042 393154302 /nfs/dbraw/zinc/15/43/02/393154302.db2.gz IWIXAUSPJLSJSY-MRVPVSSYSA-N 0 2 282.321 1.878 10 5 CDBELN Cn1nccc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000185619957 140042988 /nfs/dbraw/zinc/04/29/88/140042988.db2.gz NAQIKMHDVQEMIK-UHFFFAOYSA-N 0 2 290.279 1.605 10 5 CDBELN O=C(NCCc1ccco1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561114 140239952 /nfs/dbraw/zinc/23/99/52/140239952.db2.gz YIQOJJQWQFQQSA-UHFFFAOYSA-N 0 2 276.248 1.866 10 5 CDBELN Cc1cc(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])on1 ZINC000343079280 152023641 /nfs/dbraw/zinc/02/36/41/152023641.db2.gz NOLMXMDYKAOUQL-UHFFFAOYSA-N 0 2 291.263 1.569 10 5 CDBELN Cc1cccnc1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343269217 152093971 /nfs/dbraw/zinc/09/39/71/152093971.db2.gz IMGGQYBHUGDUFU-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN O=C(NCc1cccc(O)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000343440167 152176944 /nfs/dbraw/zinc/17/69/44/152176944.db2.gz GDVVCJAGJMZTHZ-UHFFFAOYSA-N 0 2 288.259 1.936 10 5 CDBELN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000397679768 280707808 /nfs/dbraw/zinc/70/78/08/280707808.db2.gz SKIQCQADPCZHDQ-ILWJIGKKSA-N 0 2 262.265 1.829 10 5 CDBELN Cc1cnn(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000155992366 289255912 /nfs/dbraw/zinc/25/59/12/289255912.db2.gz HGCKHWZZPWCULP-UHFFFAOYSA-N 0 2 290.279 1.834 10 5 CDBELN COCc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)co1 ZINC000547863076 289817153 /nfs/dbraw/zinc/81/71/53/289817153.db2.gz ZGMLRTQMOATNGJ-UHFFFAOYSA-N 0 2 293.235 1.687 10 5 CDBELN C[C@@H](O)[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000560206316 290477485 /nfs/dbraw/zinc/47/74/85/290477485.db2.gz DZFKTJJZZQTMNJ-ZJUUUORDSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(NC1(CCO)CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000285946176 303715703 /nfs/dbraw/zinc/71/57/03/303715703.db2.gz IJXPPCLGFOWRCE-UHFFFAOYSA-N 0 2 294.307 1.725 10 5 CDBELN C[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000385269405 323703435 /nfs/dbraw/zinc/70/34/35/323703435.db2.gz ZSAPGDONRQSSDE-KCJUWKMLSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(Nc1nc2cc[nH]cc-2n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000760955528 576529324 /nfs/dbraw/zinc/52/93/24/576529324.db2.gz WLOUGPRATRNFBC-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN Cn1cnc2cc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)ccc21 ZINC000842496816 796550041 /nfs/dbraw/zinc/55/00/41/796550041.db2.gz XKROXIXVBLRZRB-LDYMZIIASA-N 0 2 285.263 1.756 10 5 CDBELN COC[C@H]1CCCN1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000862593076 797889294 /nfs/dbraw/zinc/88/92/94/797889294.db2.gz ZECCTSVYUQATEJ-SECBINFHSA-N 0 2 295.295 1.056 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC=CO1 ZINC001447257834 966736021 /nfs/dbraw/zinc/73/60/21/966736021.db2.gz CTCBVAYNUHQWEI-NSHDSACASA-N 0 2 264.237 1.932 10 5 CDBELN O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000600519199 342229774 /nfs/dbraw/zinc/22/97/74/342229774.db2.gz BNTZRMWXHLSYNH-TVQRCGJNSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@@H]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)O1 ZINC000598214276 343734572 /nfs/dbraw/zinc/73/45/72/343734572.db2.gz SOJMMQFIDNGGIR-MWLCHTKSSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@H](O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000182029829 357401430 /nfs/dbraw/zinc/40/14/30/357401430.db2.gz XQZKJOTVRLQGIC-VIFPVBQESA-N 0 2 294.307 1.533 10 5 CDBELN CC(C)C[C@H](CO)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000186634462 357669778 /nfs/dbraw/zinc/66/97/78/357669778.db2.gz YFSGMOMTVNZNIF-LLVKDONJSA-N 0 2 296.323 1.779 10 5 CDBELN C[C@@H]1COCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286791802 358008111 /nfs/dbraw/zinc/00/81/11/358008111.db2.gz JSGVBFYFJRLMNV-ZJUUUORDSA-N 0 2 294.307 1.703 10 5 CDBELN CS[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166163259 364892423 /nfs/dbraw/zinc/89/24/23/364892423.db2.gz FPFATSHVNHHVCQ-ZCFIWIBFSA-N 0 2 256.283 1.990 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@]2(CCOC2)C1 ZINC000373925031 370635319 /nfs/dbraw/zinc/63/53/19/370635319.db2.gz XDTWIDDDUTUCJP-AWEZNQCLSA-N 0 2 292.291 1.553 10 5 CDBELN CC[C@@](C)(O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280769988 375019842 /nfs/dbraw/zinc/01/98/42/375019842.db2.gz MKKKGIMWGIYJIG-GFCCVEGCSA-N 0 2 268.269 1.191 10 5 CDBELN C[C@H]1CCC[C@@]1(O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000294018799 375631300 /nfs/dbraw/zinc/63/13/00/375631300.db2.gz DZHZOQMJHNBMLN-LKFCYVNXSA-N 0 2 294.307 1.581 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H]1C1CC1 ZINC000452994655 252242001 /nfs/dbraw/zinc/24/20/01/252242001.db2.gz QOAHLDVBBUXRPY-JTQLQIEISA-N 0 2 262.265 1.925 10 5 CDBELN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1COC1 ZINC000452973809 252233272 /nfs/dbraw/zinc/23/32/72/252233272.db2.gz LIRIRTYWRZYDKJ-UHFFFAOYSA-N 0 2 266.253 1.161 10 5 CDBELN CC(C)(C)C[C@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281203754 195148108 /nfs/dbraw/zinc/14/81/08/195148108.db2.gz LCYNYRNBXQXWIJ-SECBINFHSA-N 0 2 296.323 1.827 10 5 CDBELN O=C(NCCOCC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000236580315 140241647 /nfs/dbraw/zinc/24/16/47/140241647.db2.gz FVPKULHHYJWJDG-UHFFFAOYSA-N 0 2 290.222 1.312 10 5 CDBELN O=C(N[C@H]1C[C@H]1C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355647451 157164799 /nfs/dbraw/zinc/16/47/99/157164799.db2.gz VYXINLQWRMGGOP-ONGXEEELSA-N 0 2 262.265 1.829 10 5 CDBELN C[C@@H]1CSC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000342301360 297187486 /nfs/dbraw/zinc/18/74/86/297187486.db2.gz COQFZAOEYXNPMC-APPZFPTMSA-N 0 2 282.321 1.782 10 5 CDBELN C[C@@H](O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000182029848 525747527 /nfs/dbraw/zinc/74/75/27/525747527.db2.gz XQZKJOTVRLQGIC-SECBINFHSA-N 0 2 294.307 1.533 10 5 CDBELN NC(=O)CCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000338798822 526865636 /nfs/dbraw/zinc/86/56/36/526865636.db2.gz CMRMYLNFUFMIAH-UHFFFAOYSA-N 0 2 281.268 1.285 10 5 CDBELN Cc1ccncc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001637241412 1166740220 /nfs/dbraw/zinc/74/02/20/1166740220.db2.gz NPTPNZNMMOJNBI-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN Cc1n[nH]c(NC(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000235970966 1178245677 /nfs/dbraw/zinc/24/56/77/1178245677.db2.gz LFYPPYIZHDXTFL-UHFFFAOYSA-N 0 2 281.659 1.927 10 5 CDBELN Cc1cc(C)c2c(c1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000844893728 811082769 /nfs/dbraw/zinc/08/27/69/811082769.db2.gz JEEVXOLTNBXMTH-GHMZBOCLSA-N 0 2 276.292 1.694 10 5 CDBELN O=C(NCC[C@H]1CCCOC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600165819 341982018 /nfs/dbraw/zinc/98/20/18/341982018.db2.gz UPMXYJVMJRLZDF-SNVBAGLBSA-N 0 2 294.307 1.847 10 5 CDBELN O=C(NCC[C@H]1CCCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600166246 341982139 /nfs/dbraw/zinc/98/21/39/341982139.db2.gz XYECQKKUTYRASZ-SNVBAGLBSA-N 0 2 294.307 1.847 10 5 CDBELN C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CO1 ZINC000401492532 349717539 /nfs/dbraw/zinc/71/75/39/349717539.db2.gz SLEZIJJMTUGCBZ-SFYZADRCSA-N 0 2 266.253 1.208 10 5 CDBELN Cc1ccnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000436882696 362049055 /nfs/dbraw/zinc/04/90/55/362049055.db2.gz UUEBQZBFFCURMP-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN O=C(N[C@H](CO)C1CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597920564 343671268 /nfs/dbraw/zinc/67/12/68/343671268.db2.gz GSEVQYQYAJKDII-SNVBAGLBSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(N[C@@H](CO)C1CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000597917192 343669711 /nfs/dbraw/zinc/66/97/11/343669711.db2.gz BCOGZOQHTYOMCW-NSHDSACASA-N 0 2 280.280 1.191 10 5 CDBELN C[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1CO ZINC000598909656 343922690 /nfs/dbraw/zinc/92/26/90/343922690.db2.gz LHYFMCJPKJODKT-NXEZZACHSA-N 0 2 294.307 1.391 10 5 CDBELN CC(C)(C)n1cnc(=NC(=O)c2ccc([N+](=O)[O-])cn2)[nH]1 ZINC000543173871 370375819 /nfs/dbraw/zinc/37/58/19/370375819.db2.gz BVSUWSMOHPKTTC-UHFFFAOYSA-N 0 2 290.283 1.011 10 5 CDBELN CCOCC(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293896106 375410026 /nfs/dbraw/zinc/41/00/26/375410026.db2.gz MIQAMRXGVGVFLE-UHFFFAOYSA-N 0 2 282.296 1.845 10 5 CDBELN O=C(NC1CC(F)(F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355347359 375791940 /nfs/dbraw/zinc/79/19/40/375791940.db2.gz UZGQEVZNAYTWNM-UHFFFAOYSA-N 0 2 272.207 1.828 10 5 CDBELN Cc1csc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000235980244 140239180 /nfs/dbraw/zinc/23/91/80/140239180.db2.gz PTGJWXYCZFZJEB-UHFFFAOYSA-N 0 2 293.304 1.995 10 5 CDBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000354640351 156571227 /nfs/dbraw/zinc/57/12/27/156571227.db2.gz DNFAWFZNFBUNTN-NXEZZACHSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@H]1CC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343960416 300045850 /nfs/dbraw/zinc/04/58/50/300045850.db2.gz OHLSYAUVLCKLPQ-CBAPKCEASA-N 0 2 250.254 1.829 10 5 CDBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184575367 300194623 /nfs/dbraw/zinc/19/46/23/300194623.db2.gz CGEZAMJSMDPUGW-IUCAKERBSA-N 0 2 280.280 1.550 10 5 CDBELN CCOCCN(CC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233731374 535583917 /nfs/dbraw/zinc/58/39/17/535583917.db2.gz DEHZOLVHKHZIKB-UHFFFAOYSA-N 0 2 282.296 1.799 10 5 CDBELN O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC001637150183 1166729614 /nfs/dbraw/zinc/72/96/14/1166729614.db2.gz JRKXBZPDXQBOQQ-NEPJUHHUSA-N 0 2 292.291 1.455 10 5 CDBELN Cc1oc2ncnc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2c1C ZINC000841023493 818056707 /nfs/dbraw/zinc/05/67/07/818056707.db2.gz MECPEKFVAVQDMN-HTQZYQBOSA-N 0 2 276.252 1.443 10 5 CDBELN Cc1nccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001556081125 964995575 /nfs/dbraw/zinc/99/55/75/964995575.db2.gz INHCMXPIWJNMBL-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN O=C(NCC[C@@H]1CCCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000600164242 341981986 /nfs/dbraw/zinc/98/19/86/341981986.db2.gz FICNHJNEXKRURO-JTQLQIEISA-N 0 2 294.307 1.847 10 5 CDBELN CC[C@@H](C)C[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000592871174 342742293 /nfs/dbraw/zinc/74/22/93/342742293.db2.gz JNNVWKWUERWIRX-NXEZZACHSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000593289543 342784691 /nfs/dbraw/zinc/78/46/91/342784691.db2.gz XWTFZDPVPQLEKF-RNCFNFMXSA-N 0 2 294.307 1.986 10 5 CDBELN C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000593289543 342784693 /nfs/dbraw/zinc/78/46/93/342784693.db2.gz XWTFZDPVPQLEKF-RNCFNFMXSA-N 0 2 294.307 1.986 10 5 CDBELN O=C(NCCC1(CO)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000593879481 342844077 /nfs/dbraw/zinc/84/40/77/342844077.db2.gz LSYCWURHVDZRTP-UHFFFAOYSA-N 0 2 294.307 1.583 10 5 CDBELN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000600519198 342229757 /nfs/dbraw/zinc/22/97/57/342229757.db2.gz BNTZRMWXHLSYNH-RNCFNFMXSA-N 0 2 292.291 1.598 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)[C@H]1O ZINC000598190257 343731802 /nfs/dbraw/zinc/73/18/02/343731802.db2.gz SHXDPCKRGCVFOJ-WOFXILAISA-N 0 2 294.307 1.389 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@]1(C)CO ZINC000598440284 343797810 /nfs/dbraw/zinc/79/78/10/343797810.db2.gz GSUGAYNYQCFRQT-YMTOWFKASA-N 0 2 294.307 1.391 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]1C(F)F ZINC000601602636 344207765 /nfs/dbraw/zinc/20/77/65/344207765.db2.gz IZLNIRHFKHFIOA-MRVPVSSYSA-N 0 2 272.207 1.780 10 5 CDBELN CC(C)(F)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000601688260 344224968 /nfs/dbraw/zinc/22/49/68/344224968.db2.gz ODXKDEJDYLOUBC-UHFFFAOYSA-N 0 2 256.233 1.778 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]1C(F)F ZINC000601610238 344202039 /nfs/dbraw/zinc/20/20/39/344202039.db2.gz YGKMJJAFODUGEU-MRVPVSSYSA-N 0 2 272.207 1.780 10 5 CDBELN O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1O ZINC000298284897 200382765 /nfs/dbraw/zinc/38/27/65/200382765.db2.gz MAVXMLMINNWEIJ-NXEZZACHSA-N 0 2 294.307 1.581 10 5 CDBELN Nc1cc(O)c([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCCO1 ZINC000170597849 364162497 /nfs/dbraw/zinc/16/24/97/364162497.db2.gz OIFLOLHJUYMZTP-MRVPVSSYSA-N 0 2 295.295 1.182 10 5 CDBELN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000182133500 365073136 /nfs/dbraw/zinc/07/31/36/365073136.db2.gz LCPVRZBJZUQKGC-PWSUYJOCSA-N 0 2 280.280 1.334 10 5 CDBELN O=C(N[C@H]1CCC[C@@H](CO)C1)c1cc([N+](=O)[O-])ccc1O ZINC000414026824 241033159 /nfs/dbraw/zinc/03/31/59/241033159.db2.gz CTAULJICMNVSSG-ZJUUUORDSA-N 0 2 294.307 1.581 10 5 CDBELN CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330599915 203024034 /nfs/dbraw/zinc/02/40/34/203024034.db2.gz GSLKBJGHQYAKSD-PELKAZGASA-N 0 2 280.280 1.143 10 5 CDBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000280823924 375026473 /nfs/dbraw/zinc/02/64/73/375026473.db2.gz SAPBYKCDNJMKJX-ZETCQYMHSA-N 0 2 250.254 1.829 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000354640360 375736847 /nfs/dbraw/zinc/73/68/47/375736847.db2.gz DNFAWFZNFBUNTN-VHSXEESVSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@H](CCCO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354914560 375760566 /nfs/dbraw/zinc/76/05/66/375760566.db2.gz XNRGNQJMHNXPJH-MRVPVSSYSA-N 0 2 268.269 1.191 10 5 CDBELN O=C(NCC1(CCO)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000188040630 390947908 /nfs/dbraw/zinc/94/79/08/390947908.db2.gz WCZFZKNFKUXICR-UHFFFAOYSA-N 0 2 280.280 1.193 10 5 CDBELN COCC[C@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000413876584 391273557 /nfs/dbraw/zinc/27/35/57/391273557.db2.gz BCUYJWZAAPLYKZ-VIFPVBQESA-N 0 2 282.296 1.703 10 5 CDBELN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nncs1 ZINC000361286391 391687391 /nfs/dbraw/zinc/68/73/91/391687391.db2.gz GTUJPORMXBUIAT-UHFFFAOYSA-N 0 2 280.265 1.429 10 5 CDBELN C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000422024453 392950708 /nfs/dbraw/zinc/95/07/08/392950708.db2.gz DULVIGCMLXSELB-PSASIEDQSA-N 0 2 280.280 1.286 10 5 CDBELN O=C(NCCC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315876 140163136 /nfs/dbraw/zinc/16/31/36/140163136.db2.gz NZILPZKHQYWFGN-UHFFFAOYSA-N 0 2 250.254 1.830 10 5 CDBELN CC1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436950473 281367791 /nfs/dbraw/zinc/36/77/91/281367791.db2.gz OPWWBIVZCNHLMA-SNVBAGLBSA-N 0 2 250.254 1.829 10 5 CDBELN C[C@H]1COCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000192892532 300354258 /nfs/dbraw/zinc/35/42/58/300354258.db2.gz ROMGBGZYYLHYFJ-WCBMZHEXSA-N 0 2 280.280 1.912 10 5 CDBELN O=C(N[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1O ZINC000184883373 303954771 /nfs/dbraw/zinc/95/47/71/303954771.db2.gz MGCDZGCPQZUJLF-WDEREUQCSA-N 0 2 280.280 1.334 10 5 CDBELN O=c1[nH]nc(C2CCN(c3ccncc3[N+](=O)[O-])CC2)[nH]1 ZINC000340891188 304812405 /nfs/dbraw/zinc/81/24/05/304812405.db2.gz ZNFWCFJLPSBPRA-UHFFFAOYSA-N 0 2 290.283 1.198 10 5 CDBELN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CO1 ZINC000578630189 323981437 /nfs/dbraw/zinc/98/14/37/323981437.db2.gz UOKVWKJBQRKZQZ-SFYZADRCSA-N 0 2 266.253 1.208 10 5 CDBELN Cc1noc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928782864 620530240 /nfs/dbraw/zinc/53/02/40/620530240.db2.gz SWQGCEFGNLXDJV-HTQZYQBOSA-N 0 2 253.258 1.710 10 5 CDBELN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2cc(F)c(F)cc2O1 ZINC000906231119 627158518 /nfs/dbraw/zinc/15/85/18/627158518.db2.gz GNOBKXDNVZNFTL-NYNCVSEMSA-N 0 2 298.245 1.744 10 5 CDBELN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCO1 ZINC001639754162 1166967636 /nfs/dbraw/zinc/96/76/36/1166967636.db2.gz KAYKMYZZJZBEGM-CQSZACIVSA-N 0 2 294.307 1.989 10 5 CDBELN Cc1nnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC001567228970 1168630194 /nfs/dbraw/zinc/63/01/94/1168630194.db2.gz BYPDSLAMOYSIDX-UHFFFAOYSA-N 0 2 280.265 1.713 10 5 CDBELN C[C@H]1CCCCN1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001557280503 965162953 /nfs/dbraw/zinc/16/29/53/965162953.db2.gz AQMQPWBECOOLMU-VIFPVBQESA-N 0 2 279.296 1.820 10 5 CDBELN O=C(Nc1ccc[nH]c1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586760338 342467021 /nfs/dbraw/zinc/46/70/21/342467021.db2.gz KZSXBWXUTHMHBD-UHFFFAOYSA-N 0 2 275.220 1.653 10 5 CDBELN CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000598059582 343698985 /nfs/dbraw/zinc/69/89/85/343698985.db2.gz GLXHIWFDCYCMPY-MGCOHNPYSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@@]12COC[C@H]1CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C2 ZINC000598226125 343738133 /nfs/dbraw/zinc/73/81/33/343738133.db2.gz NGOVMMMSCDRCNC-YMTOWFKASA-N 0 2 292.291 1.409 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(COC2)C1 ZINC000598405193 343790775 /nfs/dbraw/zinc/79/07/75/343790775.db2.gz XCYFLJFCPKTBFH-UHFFFAOYSA-N 0 2 278.264 1.163 10 5 CDBELN COc1nnc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000618915611 345485566 /nfs/dbraw/zinc/48/55/66/345485566.db2.gz ACZYLEHCFMDWLD-UHFFFAOYSA-N 0 2 296.264 1.413 10 5 CDBELN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000086334559 179273276 /nfs/dbraw/zinc/27/32/76/179273276.db2.gz QMPYEPGBVHTAPD-ZYHUDNBSSA-N 0 2 294.307 1.581 10 5 CDBELN COc1ccnc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000155973747 351431903 /nfs/dbraw/zinc/43/19/03/351431903.db2.gz WUKZLHHGIZDETF-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN O=C(NC1(CCO)CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000285922687 356185118 /nfs/dbraw/zinc/18/51/18/356185118.db2.gz GSXCOLSAZZDYCG-UHFFFAOYSA-N 0 2 294.307 1.725 10 5 CDBELN Cc1cc(C)c([N+](=O)[O-])c(Sc2n[nH]c(=O)[nH]2)n1 ZINC000337942545 358507472 /nfs/dbraw/zinc/50/74/72/358507472.db2.gz LGHRPRPKLGESAM-UHFFFAOYSA-N 0 2 267.270 1.582 10 5 CDBELN CO[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000300637247 359958024 /nfs/dbraw/zinc/95/80/24/359958024.db2.gz LREJEHBESHHXGE-RYUDHWBXSA-N 0 2 294.307 1.844 10 5 CDBELN NC(=O)c1cc([N+](=O)[O-])cc(O)c1Br ZINC000575691625 373863146 /nfs/dbraw/zinc/86/31/46/373863146.db2.gz PEHFVZVOFSJBEF-UHFFFAOYSA-N 0 2 261.031 1.162 10 5 CDBELN COC[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000293945678 375459588 /nfs/dbraw/zinc/45/95/88/375459588.db2.gz PRSJOSNVAPEQAO-VIFPVBQESA-N 0 2 266.253 1.161 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(CCF)c1 ZINC000355903093 375809950 /nfs/dbraw/zinc/80/99/50/375809950.db2.gz YRQQUWODPZUOIJ-UHFFFAOYSA-N 0 2 294.242 1.719 10 5 CDBELN O=C(NCC1(CCO)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000187976995 390945257 /nfs/dbraw/zinc/94/52/57/390945257.db2.gz CLFRQOIKYZVTML-UHFFFAOYSA-N 0 2 280.280 1.193 10 5 CDBELN CN(CC(C)(C)O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315955 140163437 /nfs/dbraw/zinc/16/34/37/140163437.db2.gz HCOAOUREKGGFCM-UHFFFAOYSA-N 0 2 268.269 1.143 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2ncnn21 ZINC000352409333 155168837 /nfs/dbraw/zinc/16/88/37/155168837.db2.gz JYEMFNIWSWCFHU-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN O=c1[nH]nc(SCc2c(F)cc([N+](=O)[O-])cc2F)[nH]1 ZINC000349834490 154233256 /nfs/dbraw/zinc/23/32/56/154233256.db2.gz YEBRXAFDOMKDLO-UHFFFAOYSA-N 0 2 288.235 1.989 10 5 CDBELN CCn1nccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351838134 154755986 /nfs/dbraw/zinc/75/59/86/154755986.db2.gz PJORRTQRRBWXGA-UHFFFAOYSA-N 0 2 276.252 1.769 10 5 CDBELN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000044621125 175219539 /nfs/dbraw/zinc/21/95/39/175219539.db2.gz WVNIXAQORXPYRX-SNVBAGLBSA-N 0 2 295.295 1.328 10 5 CDBELN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000044621125 175219541 /nfs/dbraw/zinc/21/95/41/175219541.db2.gz WVNIXAQORXPYRX-SNVBAGLBSA-N 0 2 295.295 1.328 10 5 CDBELN O=[N+]([O-])c1cc(Cl)cnc1N1CC(F)CC1CO ZINC000370390756 280359247 /nfs/dbraw/zinc/35/92/47/280359247.db2.gz NUTHVTBBFCBAAS-YUMQZZPRSA-N 0 2 275.667 1.552 10 5 CDBELN O=C(N[C@H]1CCCC[C@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000236524622 303954552 /nfs/dbraw/zinc/95/45/52/303954552.db2.gz FOAXZKLJPALQJH-CMPLNLGQSA-N 0 2 280.280 1.334 10 5 CDBELN CCN(CCCO)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316496 329434219 /nfs/dbraw/zinc/43/42/19/329434219.db2.gz JBVJATXJKUBFDZ-UHFFFAOYSA-N 0 2 268.269 1.145 10 5 CDBELN Cc1sc(C(=O)NN2CCCC2=O)cc1[N+](=O)[O-] ZINC000770542878 575463172 /nfs/dbraw/zinc/46/31/72/575463172.db2.gz BCYTZSURXPBORN-UHFFFAOYSA-N 0 2 269.282 1.232 10 5 CDBELN CC(=O)CCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000802932119 833278478 /nfs/dbraw/zinc/27/84/78/833278478.db2.gz CNHLYUBKWPLCAK-UHFFFAOYSA-N 0 2 266.253 1.352 10 5 CDBELN O=C(NC[C@@H](O)c1ccco1)c1cc(O)ccc1[N+](=O)[O-] ZINC000797218920 829131742 /nfs/dbraw/zinc/13/17/42/829131742.db2.gz FHBPUPSDTJVHEN-LLVKDONJSA-N 0 2 292.247 1.357 10 5 CDBELN CC[N@@H+](C)[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104421 830418356 /nfs/dbraw/zinc/41/83/56/830418356.db2.gz CHGIPQGISLOARY-DGCLKSJQSA-N 0 2 280.324 1.888 10 5 CDBELN C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1nn(C)cc1O ZINC001648328810 1169121799 /nfs/dbraw/zinc/12/17/99/1169121799.db2.gz HLCLVZSSZMSHDJ-QMMMGPOBSA-N 0 2 284.316 1.138 10 5 CDBELN Cc1ncncc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001458034676 969249341 /nfs/dbraw/zinc/24/93/41/969249341.db2.gz CVSUFOSBKJQRRL-UHFFFAOYSA-N 0 2 274.236 1.651 10 5 CDBELN CCCC[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592855694 342738098 /nfs/dbraw/zinc/73/80/98/342738098.db2.gz VFMRWOBSHAXJGJ-AWEZNQCLSA-N 0 2 296.323 1.971 10 5 CDBELN O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600522402 342229943 /nfs/dbraw/zinc/22/99/43/342229943.db2.gz OVTQVCKUFSISEG-RNCFNFMXSA-N 0 2 292.291 1.598 10 5 CDBELN CSCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597854596 343646880 /nfs/dbraw/zinc/64/68/80/343646880.db2.gz JEFSEFJMHURWRV-UHFFFAOYSA-N 0 2 256.283 1.393 10 5 CDBELN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000598182004 343730253 /nfs/dbraw/zinc/73/02/53/343730253.db2.gz ABDBJCAJZREFJU-WOFXILAISA-N 0 2 294.307 1.389 10 5 CDBELN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCO1 ZINC000194745189 363061740 /nfs/dbraw/zinc/06/17/40/363061740.db2.gz WOHJJBQNZXQLED-PRHODGIISA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235495043 140235242 /nfs/dbraw/zinc/23/52/42/140235242.db2.gz NDCIKHVEJAQPAV-SECBINFHSA-N 0 2 290.279 1.315 10 5 CDBELN C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235495043 140235244 /nfs/dbraw/zinc/23/52/44/140235244.db2.gz NDCIKHVEJAQPAV-SECBINFHSA-N 0 2 290.279 1.315 10 5 CDBELN CN(Cc1ccc[nH]1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353667068 366465067 /nfs/dbraw/zinc/46/50/67/366465067.db2.gz RWKLBHVIONZHHV-UHFFFAOYSA-N 0 2 275.264 1.901 10 5 CDBELN CO[C@H]1CCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354527844 359404425 /nfs/dbraw/zinc/40/44/25/359404425.db2.gz QSYSNGYRWRGZOB-ZANVPECISA-N 0 2 294.307 1.845 10 5 CDBELN C[C@@H]1[C@@H](O)CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297052160 360307465 /nfs/dbraw/zinc/30/74/65/360307465.db2.gz VQXIOLZXQMQBOR-SCZZXKLOSA-N 0 2 280.280 1.286 10 5 CDBELN CC(C)(O)C(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000456796003 364775104 /nfs/dbraw/zinc/77/51/04/364775104.db2.gz JOYSIDKTVBXUKB-UHFFFAOYSA-N 0 2 296.323 1.827 10 5 CDBELN COC(=O)Cc1cc([N+](=O)[O-])cc(O)c1Br ZINC000575713415 373975156 /nfs/dbraw/zinc/97/51/56/373975156.db2.gz ZVAJVMWVUCRDSA-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN Nc1cc(I)cc(O)c1[N+](=O)[O-] ZINC000575727853 374140903 /nfs/dbraw/zinc/14/09/03/374140903.db2.gz HGCAUMAPCXWGTG-UHFFFAOYSA-N 0 2 280.021 1.487 10 5 CDBELN CCC[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000296217794 374679391 /nfs/dbraw/zinc/67/93/91/374679391.db2.gz WEVQOSUMNIIOMT-VIFPVBQESA-N 0 2 282.296 1.845 10 5 CDBELN COC[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600418789 375340654 /nfs/dbraw/zinc/34/06/54/375340654.db2.gz LEKOZRIDXNOJRE-SECBINFHSA-N 0 2 280.280 1.551 10 5 CDBELN O=C(Nc1cc(C(F)(F)F)n[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000344217940 379326866 /nfs/dbraw/zinc/32/68/66/379326866.db2.gz CWTNMNRYLOKVQA-UHFFFAOYSA-N 0 2 290.161 1.312 10 5 CDBELN CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281214083 195152902 /nfs/dbraw/zinc/15/29/02/195152902.db2.gz LVJXNEPEWAMNAZ-KCJUWKMLSA-N 0 2 282.296 1.437 10 5 CDBELN C[C@H]1C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000527181909 392975124 /nfs/dbraw/zinc/97/51/24/392975124.db2.gz HQUOALAQHHPQPZ-YUMQZZPRSA-N 0 2 250.254 1.923 10 5 CDBELN O=c1[nH]nc(SCCCOc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000187639038 140081726 /nfs/dbraw/zinc/08/17/26/140081726.db2.gz VDXIVBFRXRFNBT-UHFFFAOYSA-N 0 2 296.308 1.980 10 5 CDBELN COC(=O)CCCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234503079 140229420 /nfs/dbraw/zinc/22/94/20/140229420.db2.gz MHOOZPWSJOEWSH-UHFFFAOYSA-N 0 2 296.279 1.326 10 5 CDBELN C[C@H]1C[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000334009190 149298628 /nfs/dbraw/zinc/29/86/28/149298628.db2.gz XISGIMDGMYTPJR-UWVGGRQHSA-N 0 2 294.307 1.845 10 5 CDBELN COc1ccncc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343279593 152099269 /nfs/dbraw/zinc/09/92/69/152099269.db2.gz NMUYPJALMDXRNE-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN CC[C@](C)(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346380521 153162365 /nfs/dbraw/zinc/16/23/65/153162365.db2.gz NNNOSQHKFDSGFP-LBPRGKRZSA-N 0 2 268.269 1.191 10 5 CDBELN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179513394 297147102 /nfs/dbraw/zinc/14/71/02/297147102.db2.gz ZLCGRTYAVYKIMQ-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN C[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280975740 297155798 /nfs/dbraw/zinc/15/57/98/297155798.db2.gz OVIHOXPBKGOIOM-BDAKNGLRSA-N 0 2 280.280 1.550 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCSCC1 ZINC000273254529 304532663 /nfs/dbraw/zinc/53/26/63/304532663.db2.gz RZDOJZGTFKLQFQ-UHFFFAOYSA-N 0 2 282.321 1.880 10 5 CDBELN CCOCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233715593 535622597 /nfs/dbraw/zinc/62/25/97/535622597.db2.gz JNYGNIQPCVQEJN-UHFFFAOYSA-N 0 2 254.242 1.067 10 5 CDBELN COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC001584341287 1172816179 /nfs/dbraw/zinc/81/61/79/1172816179.db2.gz WMGZIGAOGDWFTL-UHFFFAOYSA-N 0 2 289.247 1.956 10 5 CDBELN CC1(C)OC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000797177843 835824683 /nfs/dbraw/zinc/82/46/83/835824683.db2.gz LJVLEISEINQRAC-VIFPVBQESA-N 0 2 296.279 1.182 10 5 CDBELN CCn1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000816054901 840073426 /nfs/dbraw/zinc/07/34/26/840073426.db2.gz QYJLFZUUPXTTDS-UHFFFAOYSA-N 0 2 277.240 1.164 10 5 CDBELN O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839476143 840761137 /nfs/dbraw/zinc/76/11/37/840761137.db2.gz ABPICFSZJDZWON-GMSGAONNSA-N 0 2 290.304 1.809 10 5 CDBELN O=C(NOCCC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000803128893 841979257 /nfs/dbraw/zinc/97/92/57/841979257.db2.gz QAVMHFCOMWRXDR-UHFFFAOYSA-N 0 2 294.185 1.914 10 5 CDBELN Cc1onc(OC(F)F)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128101436 919877003 /nfs/dbraw/zinc/87/70/03/919877003.db2.gz QULJQDGVQXOZPL-RFZPGFLSSA-N 0 2 277.183 1.188 10 5 CDBELN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600444681 342209563 /nfs/dbraw/zinc/20/95/63/342209563.db2.gz XLDMQJXMCOCQDH-YDEXJTGXSA-N 0 2 294.307 1.842 10 5 CDBELN COC1CC(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597862549 343660929 /nfs/dbraw/zinc/66/09/29/343660929.db2.gz TYZSGRTVTSAILI-UHFFFAOYSA-N 0 2 294.307 1.845 10 5 CDBELN C[C@@]12COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000598222620 343736958 /nfs/dbraw/zinc/73/69/58/343736958.db2.gz AWQAFQDCUFSHCN-LKFCYVNXSA-N 0 2 292.291 1.409 10 5 CDBELN CC12CC(C1)CN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000598572673 343832973 /nfs/dbraw/zinc/83/29/73/343832973.db2.gz ZOIHNVAJFBWOFU-UHFFFAOYSA-N 0 2 262.265 1.925 10 5 CDBELN Cn1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000614271682 348051328 /nfs/dbraw/zinc/05/13/28/348051328.db2.gz OZXRNGDXTPODMS-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN CC(C)c1nn(C)cc1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000360267922 356940825 /nfs/dbraw/zinc/94/08/25/356940825.db2.gz QWMBKQMULZLRKA-UHFFFAOYSA-N 0 2 277.288 1.398 10 5 CDBELN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000569612697 359253684 /nfs/dbraw/zinc/25/36/84/359253684.db2.gz GISPOWGZHCBTAA-MWLCHTKSSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cn[nH]c1 ZINC000436899925 296105385 /nfs/dbraw/zinc/10/53/85/296105385.db2.gz LSQNSDCBCFAAFI-SSDOTTSWSA-N 0 2 276.252 1.515 10 5 CDBELN COC(=O)Cc1cc(O)c([N+](=O)[O-])cc1Br ZINC000575712411 373973891 /nfs/dbraw/zinc/97/38/91/373973891.db2.gz LGQDVMBSEITBJO-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN COC(=O)Cc1c(O)c(Br)ccc1[N+](=O)[O-] ZINC000575712111 373973905 /nfs/dbraw/zinc/97/39/05/373973905.db2.gz FLDGITARSVZQLP-UHFFFAOYSA-N 0 2 290.069 1.778 10 5 CDBELN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000354910664 375760780 /nfs/dbraw/zinc/76/07/80/375760780.db2.gz MQSDFZNIQRBLKY-UHFFFAOYSA-N 0 2 276.252 1.311 10 5 CDBELN Cc1ccnc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000357378336 375903014 /nfs/dbraw/zinc/90/30/14/375903014.db2.gz RYYIKYBMZCJDAQ-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN CC1(O)CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000450396554 251260372 /nfs/dbraw/zinc/26/03/72/251260372.db2.gz XLCSYYGAGYOKAZ-UHFFFAOYSA-N 0 2 266.253 1.400 10 5 CDBELN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC[C@H]1C ZINC000187978062 390945347 /nfs/dbraw/zinc/94/53/47/390945347.db2.gz OXOSCYJWSZCKKU-NOZJJQNGSA-N 0 2 294.307 1.797 10 5 CDBELN COC(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316465 140163018 /nfs/dbraw/zinc/16/30/18/140163018.db2.gz LOKXXZIXXZDEEY-UHFFFAOYSA-N 0 2 268.269 1.455 10 5 CDBELN CCCc1cc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH][nH]1 ZINC000352694734 155372794 /nfs/dbraw/zinc/37/27/94/155372794.db2.gz YTFRWWGCEMIFQW-UHFFFAOYSA-N 0 2 290.279 1.650 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn2cccnc12 ZINC000346900356 153342144 /nfs/dbraw/zinc/34/21/44/153342144.db2.gz RFOPDTBHCXLWAS-UHFFFAOYSA-N 0 2 299.246 1.595 10 5 CDBELN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044620945 175219776 /nfs/dbraw/zinc/21/97/76/175219776.db2.gz VFPAPUQXQHLVQG-LLVKDONJSA-N 0 2 295.295 1.328 10 5 CDBELN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044620945 175219778 /nfs/dbraw/zinc/21/97/78/175219778.db2.gz VFPAPUQXQHLVQG-LLVKDONJSA-N 0 2 295.295 1.328 10 5 CDBELN Cc1cc(C)n(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000155935789 289254322 /nfs/dbraw/zinc/25/43/22/289254322.db2.gz XUSRXIYDXQAINX-UHFFFAOYSA-N 0 2 290.279 1.752 10 5 CDBELN O=C(Cc1cccnc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182090553 323261810 /nfs/dbraw/zinc/26/18/10/323261810.db2.gz VGUQRBAOUOOZOS-UHFFFAOYSA-N 0 2 273.248 1.877 10 5 CDBELN Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccn1 ZINC000050638284 527505248 /nfs/dbraw/zinc/50/52/48/527505248.db2.gz SAMRSYOBBYUBEA-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN CC[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCNC1=O ZINC001610896632 1165475765 /nfs/dbraw/zinc/47/57/65/1165475765.db2.gz XUADUTSTRQIFHJ-ZDUSSCGKSA-N 0 2 293.279 1.155 10 5 CDBELN COCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC001639706386 1166964089 /nfs/dbraw/zinc/96/40/89/1166964089.db2.gz GRCCAHMOJAVSRM-UHFFFAOYSA-N 0 2 292.251 1.353 10 5 CDBELN O=C(Nc1cnc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1O ZINC001652724998 1171468724 /nfs/dbraw/zinc/46/87/24/1171468724.db2.gz DWAKSZMMCXEXHL-UHFFFAOYSA-N 0 2 299.246 1.824 10 5 CDBELN COC(OC)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000816613059 845716599 /nfs/dbraw/zinc/71/65/99/845716599.db2.gz HUAKSPCPICTECS-ZETCQYMHSA-N 0 2 284.268 1.038 10 5 CDBELN CC(C)CC[C@@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000600307512 342057054 /nfs/dbraw/zinc/05/70/54/342057054.db2.gz VQUJBCQAZPGIML-JTQLQIEISA-N 0 2 296.323 1.827 10 5 CDBELN CC[C@H]1COCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739941 342826809 /nfs/dbraw/zinc/82/68/09/342826809.db2.gz BYBLNWLMQLRPGT-LBPRGKRZSA-N 0 2 294.307 1.904 10 5 CDBELN CC[C@H]1COCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739941 342826810 /nfs/dbraw/zinc/82/68/10/342826810.db2.gz BYBLNWLMQLRPGT-LBPRGKRZSA-N 0 2 294.307 1.904 10 5 CDBELN CN(Cc1ccc[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436992941 362247953 /nfs/dbraw/zinc/24/79/53/362247953.db2.gz ZADBDJWBPTYDGS-UHFFFAOYSA-N 0 2 275.264 1.901 10 5 CDBELN CC(=O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597709485 343606555 /nfs/dbraw/zinc/60/65/55/343606555.db2.gz ZIESVTJWHMAPBM-NSHDSACASA-N 0 2 292.291 1.884 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2COC[C@H]2C1 ZINC000598396054 343778643 /nfs/dbraw/zinc/77/86/43/343778643.db2.gz QVPLKKFMBSOBJI-NXEZZACHSA-N 0 2 292.291 1.409 10 5 CDBELN O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000601889634 344280701 /nfs/dbraw/zinc/28/07/01/344280701.db2.gz XBCVKGHNAPDDJZ-HTQZYQBOSA-N 0 2 290.197 1.981 10 5 CDBELN COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274699108 362634348 /nfs/dbraw/zinc/63/43/48/362634348.db2.gz PBYYDQNUOOFMQQ-SNVBAGLBSA-N 0 2 294.263 1.078 10 5 CDBELN O=C(NC1CCC(O)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236466418 363187138 /nfs/dbraw/zinc/18/71/38/363187138.db2.gz OZGAFYOWCGEVJH-UHFFFAOYSA-N 0 2 280.280 1.334 10 5 CDBELN CO[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000452835636 358762331 /nfs/dbraw/zinc/76/23/31/358762331.db2.gz MSSXEZFVCSGWTA-RNCFNFMXSA-N 0 2 294.307 1.797 10 5 CDBELN CO[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1C ZINC000456129804 363679327 /nfs/dbraw/zinc/67/93/27/363679327.db2.gz AYOCBFADSUCKRJ-JOYOIKCWSA-N 0 2 294.307 1.797 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCSCC1 ZINC000063761000 363962960 /nfs/dbraw/zinc/96/29/60/363962960.db2.gz YKEVJUKNRNKKDI-UHFFFAOYSA-N 0 2 282.321 1.880 10 5 CDBELN CO[C@H]([C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000456589767 364610473 /nfs/dbraw/zinc/61/04/73/364610473.db2.gz XABSEXRBRLMGMP-ISVAXAHUSA-N 0 2 294.307 1.844 10 5 CDBELN O=C(NCC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000436837135 364822176 /nfs/dbraw/zinc/82/21/76/364822176.db2.gz JGKYVAPISZBOKY-VIFPVBQESA-N 0 2 280.280 1.457 10 5 CDBELN CC1(C)OCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000295986418 370822469 /nfs/dbraw/zinc/82/24/69/370822469.db2.gz UJWUJNRFWKTBCJ-LLVKDONJSA-N 0 2 280.280 1.598 10 5 CDBELN CC1(C)OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000295987889 370822715 /nfs/dbraw/zinc/82/27/15/370822715.db2.gz UJWUJNRFWKTBCJ-NSHDSACASA-N 0 2 280.280 1.598 10 5 CDBELN COCC(C)(C)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000293892695 375397590 /nfs/dbraw/zinc/39/75/90/375397590.db2.gz GPWFVGFFUQANHC-UHFFFAOYSA-N 0 2 282.296 1.797 10 5 CDBELN CC(C)[C@](C)(CO)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000427397783 247136860 /nfs/dbraw/zinc/13/68/60/247136860.db2.gz WYSNYTWOSVCOFI-ZDUSSCGKSA-N 0 2 282.296 1.437 10 5 CDBELN CC(C)[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354386180 375702834 /nfs/dbraw/zinc/70/28/34/375702834.db2.gz OYLWZCFVLZURKX-LLVKDONJSA-N 0 2 268.269 1.047 10 5 CDBELN C[C@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000362473107 300006883 /nfs/dbraw/zinc/00/68/83/300006883.db2.gz LTIJXEAOEVJIBO-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN C[C@H]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000398089728 391638989 /nfs/dbraw/zinc/63/89/89/391638989.db2.gz WZBLHXZARVYGGQ-WPRPVWTQSA-N 0 2 280.280 1.598 10 5 CDBELN C[C@H]1CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436714781 391937444 /nfs/dbraw/zinc/93/74/44/391937444.db2.gz VDBCUOJMUSOGRA-OIBJUYFYSA-N 0 2 250.254 1.829 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H]2CCC[C@H]21 ZINC000523407630 392887003 /nfs/dbraw/zinc/88/70/03/392887003.db2.gz JUGUWAFLPZNRBB-NXEZZACHSA-N 0 2 262.265 1.925 10 5 CDBELN Cc1ccc([N+](=O)[O-])c(Sc2n[nH]c(=O)[nH]2)c1 ZINC000193532932 393187739 /nfs/dbraw/zinc/18/77/39/393187739.db2.gz IVNZOKQQFSBYEE-UHFFFAOYSA-N 0 2 252.255 1.878 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N(CCO)CC(F)F ZINC000231321566 148698398 /nfs/dbraw/zinc/69/83/98/148698398.db2.gz KDIFGHIPRRBEKR-UHFFFAOYSA-N 0 2 290.222 1.000 10 5 CDBELN C[C@@H](O)CC(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346366801 153156033 /nfs/dbraw/zinc/15/60/33/153156033.db2.gz HXPQWCJRPIEMML-SECBINFHSA-N 0 2 296.323 1.827 10 5 CDBELN C[C@@H](O)C[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346401173 153171217 /nfs/dbraw/zinc/17/12/17/153171217.db2.gz YFPHYWOLJJPNEV-DTWKUNHWSA-N 0 2 282.296 1.437 10 5 CDBELN CN(Cc1cnccn1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346435250 153186882 /nfs/dbraw/zinc/18/68/82/153186882.db2.gz PCSUAGAYMKTDCB-UHFFFAOYSA-N 0 2 288.263 1.363 10 5 CDBELN CC(C)(C)C[C@H](CO)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346854407 153329050 /nfs/dbraw/zinc/32/90/50/153329050.db2.gz UAFDPXJAQWBHRY-SECBINFHSA-N 0 2 296.323 1.827 10 5 CDBELN CC[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000421994939 287285775 /nfs/dbraw/zinc/28/57/75/287285775.db2.gz TYXZDKLKKIIWBA-GXSJLCMTSA-N 0 2 294.307 1.988 10 5 CDBELN O=C([O-])c1cc([N+](=O)[O-])cn1CCCn1cc[nH+]c1 ZINC000049328586 526357214 /nfs/dbraw/zinc/35/72/14/526357214.db2.gz IYMAUZIZBWKAMF-UHFFFAOYSA-N 0 2 264.241 1.381 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000183901578 527235333 /nfs/dbraw/zinc/23/53/33/527235333.db2.gz PZRIWHMDRKMBNW-ZETCQYMHSA-N 0 2 252.226 1.275 10 5 CDBELN Nc1ncccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000050650267 527570441 /nfs/dbraw/zinc/57/04/41/527570441.db2.gz CQWCZQMPXQMGPY-UHFFFAOYSA-N 0 2 294.292 1.373 10 5 CDBELN O=C(Nc1nnc(C2CCOCC2)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001595762044 1174215035 /nfs/dbraw/zinc/21/50/35/1174215035.db2.gz XXNGYLFMKGHIQS-HTQZYQBOSA-N 0 2 298.324 1.036 10 5 CDBELN Cn1ncc2ccc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)cc21 ZINC000842494787 849198472 /nfs/dbraw/zinc/19/84/72/849198472.db2.gz CWRGJCOJTRHCMW-MWLCHTKSSA-N 0 2 285.263 1.756 10 5 CDBELN CCOC(=O)c1c(C)csc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841002191 849609671 /nfs/dbraw/zinc/60/96/71/849609671.db2.gz VESSIFFTAHEPKK-HTQZYQBOSA-N 0 2 298.320 1.837 10 5 CDBELN O=C(/C=C\[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000819431042 850472037 /nfs/dbraw/zinc/47/20/37/850472037.db2.gz OKZRGEQIURRWCM-OAQKJQOQSA-N 0 2 278.264 1.974 10 5 CDBELN O=C(N[C@@H]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1O ZINC001449535172 967483777 /nfs/dbraw/zinc/48/37/77/967483777.db2.gz AGVMWWGSNMPPMZ-LDYMZIIASA-N 0 2 280.280 1.191 10 5 CDBELN C[C@H](C[C@H]1CCOC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586797597 342469899 /nfs/dbraw/zinc/46/98/99/342469899.db2.gz SDZJATRTYXZVSR-NXEZZACHSA-N 0 2 294.307 1.845 10 5 CDBELN O=c1[nH]nc([C@@H]2CCCN(c3sccc3[N+](=O)[O-])C2)[nH]1 ZINC000588045120 342491665 /nfs/dbraw/zinc/49/16/65/342491665.db2.gz VBCBAPUVVKZXPM-SSDOTTSWSA-N 0 2 295.324 1.864 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](CCF)C1 ZINC000600489050 342225649 /nfs/dbraw/zinc/22/56/49/342225649.db2.gz QVOIPSDNYAIHMD-SNVBAGLBSA-N 0 2 298.270 1.501 10 5 CDBELN C[C@H]1CCC[C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])O1 ZINC000598217290 343735398 /nfs/dbraw/zinc/73/53/98/343735398.db2.gz ULMVZQPSOLMARX-VHSXEESVSA-N 0 2 294.307 1.988 10 5 CDBELN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCOC1 ZINC000436655081 359067173 /nfs/dbraw/zinc/06/71/73/359067173.db2.gz HRYSLYSMTZUQAD-JTQLQIEISA-N 0 2 280.280 1.551 10 5 CDBELN CCC[C@@H](C)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000569584580 359251367 /nfs/dbraw/zinc/25/13/67/359251367.db2.gz XQNXVTYIDVHOLG-SKDRFNHKSA-N 0 2 296.323 1.827 10 5 CDBELN CC(C)[C@@](C)(CO)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436805408 361458644 /nfs/dbraw/zinc/45/86/44/361458644.db2.gz CVSXBQAJYXOKDR-CYBMUJFWSA-N 0 2 282.296 1.437 10 5 CDBELN CC/C=C/CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000385042151 367878176 /nfs/dbraw/zinc/87/81/76/367878176.db2.gz RJSCBJVBBJUVKP-ONEGZZNKSA-N 0 2 250.254 1.996 10 5 CDBELN COc1ccc(Cl)c2c(O)c([N+](=O)[O-])nnc12 ZINC000575601184 370575696 /nfs/dbraw/zinc/57/56/96/370575696.db2.gz MYKZTOXUPMQDEM-UHFFFAOYSA-N 0 2 255.617 1.906 10 5 CDBELN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1O ZINC000425153841 374427914 /nfs/dbraw/zinc/42/79/14/374427914.db2.gz JTILWMMRLNKPHS-AYMMMOKOSA-N 0 2 262.265 1.829 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000217315928 375614300 /nfs/dbraw/zinc/61/43/00/375614300.db2.gz UUQSNCUOWBBXLT-AOOOYVTPSA-N 0 2 278.264 1.304 10 5 CDBELN CN(C[C@@H]1CCOC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280978670 195055579 /nfs/dbraw/zinc/05/55/79/195055579.db2.gz LCOWZZPMTWZFKS-VIFPVBQESA-N 0 2 280.280 1.409 10 5 CDBELN C[C@H]1C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000527179817 392975553 /nfs/dbraw/zinc/97/55/53/392975553.db2.gz DEGVKHYTFYGIQO-YUMQZZPRSA-N 0 2 250.254 1.923 10 5 CDBELN O=C(Nc1nncs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236563774 140240941 /nfs/dbraw/zinc/24/09/41/140240941.db2.gz WIHFZPZDOQFOPZ-UHFFFAOYSA-N 0 2 266.238 1.404 10 5 CDBELN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000354323209 156385713 /nfs/dbraw/zinc/38/57/13/156385713.db2.gz AOQGERCBDPSSII-DGCLKSJQSA-N 0 2 294.307 1.988 10 5 CDBELN Cc1cc([N-]c2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])no1 ZINC000040582438 174345093 /nfs/dbraw/zinc/34/50/93/174345093.db2.gz KZFMJQVFFGJPMT-UHFFFAOYSA-N 0 2 287.239 1.611 10 5 CDBELN COC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000135341839 279812272 /nfs/dbraw/zinc/81/22/72/279812272.db2.gz AEAKLBXTZSNCLF-ZETCQYMHSA-N 0 2 254.242 1.521 10 5 CDBELN CC[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000421996948 288352355 /nfs/dbraw/zinc/35/23/55/288352355.db2.gz WEZRTFQOANASEP-ZJUUUORDSA-N 0 2 294.307 1.988 10 5 CDBELN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1=O ZINC000189537407 300193965 /nfs/dbraw/zinc/19/39/65/300193965.db2.gz XWAUGTFOPCYTAB-QMMMGPOBSA-N 0 2 278.264 1.352 10 5 CDBELN Cn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000183914211 323350402 /nfs/dbraw/zinc/35/04/02/323350402.db2.gz HCWVBJLDSNYGMQ-UHFFFAOYSA-N 0 2 262.225 1.286 10 5 CDBELN O=C(NCc1n[nH]c(=O)[nH]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001629580689 1166150093 /nfs/dbraw/zinc/15/00/93/1166150093.db2.gz HDXQEPRIYXVQOW-UHFFFAOYSA-N 0 2 297.658 1.002 10 5 CDBELN C[S@@](=O)(=NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000925951234 706163987 /nfs/dbraw/zinc/16/39/87/706163987.db2.gz WPVNEUBYHHBQGN-MHNGPXOMSA-N 0 2 268.294 1.335 10 5 CDBELN C[S@@](=O)(=NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000925951234 706163995 /nfs/dbraw/zinc/16/39/95/706163995.db2.gz WPVNEUBYHHBQGN-MHNGPXOMSA-N 0 2 268.294 1.335 10 5 CDBELN CC1(C)OC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])O1 ZINC000797177842 709698364 /nfs/dbraw/zinc/69/83/64/709698364.db2.gz LJVLEISEINQRAC-SECBINFHSA-N 0 2 296.279 1.182 10 5 CDBELN CC[C@H](C[N+](=O)[O-])OC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001347431339 965523749 /nfs/dbraw/zinc/52/37/49/965523749.db2.gz XZAUIULFFVCDAB-RKDXNWHRSA-N 0 2 281.312 1.747 10 5 CDBELN CCOCCOCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001456169328 968884334 /nfs/dbraw/zinc/88/43/34/968884334.db2.gz WNPNBRGAIQUJTF-UHFFFAOYSA-N 0 2 298.295 1.083 10 5 CDBELN C[C@@H]1COCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342829741 361749491 /nfs/dbraw/zinc/74/94/91/361749491.db2.gz GLHNEZWAWYKNCZ-ZJUUUORDSA-N 0 2 294.307 1.703 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(C1)CCCO2 ZINC000600313601 342086387 /nfs/dbraw/zinc/08/63/87/342086387.db2.gz DCURWBIHIDKVFF-UHFFFAOYSA-N 0 2 278.264 1.305 10 5 CDBELN COCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000594399353 342899509 /nfs/dbraw/zinc/89/95/09/342899509.db2.gz TVNCIKOZURCLDU-UHFFFAOYSA-N 0 2 280.280 1.457 10 5 CDBELN C[C@@H]1C[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600773411 342249032 /nfs/dbraw/zinc/24/90/32/342249032.db2.gz YGINUFGPQMOPID-NXEZZACHSA-N 0 2 294.307 1.533 10 5 CDBELN O=C(NCC1CSC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597747678 343628151 /nfs/dbraw/zinc/62/81/51/343628151.db2.gz GXSVYEQLCMFFMY-UHFFFAOYSA-N 0 2 268.294 1.393 10 5 CDBELN O=C(NCC1CCC(O)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598339402 343769683 /nfs/dbraw/zinc/76/96/83/343769683.db2.gz XAPIPVJFUXREME-UHFFFAOYSA-N 0 2 294.307 1.581 10 5 CDBELN CC(C)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000601689125 344225678 /nfs/dbraw/zinc/22/56/78/344225678.db2.gz ZKBWXVOOQDZVDQ-UHFFFAOYSA-N 0 2 256.233 1.778 10 5 CDBELN O=C(NC1(CF)CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000456054980 362757867 /nfs/dbraw/zinc/75/78/67/362757867.db2.gz VPXZWXBQMRWLLH-UHFFFAOYSA-N 0 2 298.270 1.549 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000452689716 358489665 /nfs/dbraw/zinc/48/96/65/358489665.db2.gz ZTBZSIAOCOVRKX-DTORHVGOSA-N 0 2 272.207 1.432 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cncnc1 ZINC000361662447 358410288 /nfs/dbraw/zinc/41/02/88/358410288.db2.gz QIOVGAHALJIGCT-UHFFFAOYSA-N 0 2 260.209 1.343 10 5 CDBELN CO[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000452835637 358762230 /nfs/dbraw/zinc/76/22/30/358762230.db2.gz MSSXEZFVCSGWTA-TVQRCGJNSA-N 0 2 294.307 1.797 10 5 CDBELN COC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180766912 189273940 /nfs/dbraw/zinc/27/39/40/189273940.db2.gz DKLLTJFZEIRVJH-UHFFFAOYSA-N 0 2 254.242 1.664 10 5 CDBELN O=C(N[C@H]1CCC[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1O ZINC000414026821 241031938 /nfs/dbraw/zinc/03/19/38/241031938.db2.gz CTAULJICMNVSSG-UWVGGRQHSA-N 0 2 294.307 1.581 10 5 CDBELN C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000330367741 296196091 /nfs/dbraw/zinc/19/60/91/296196091.db2.gz FIPJYNWYDACDQS-NXEZZACHSA-N 0 2 294.307 1.676 10 5 CDBELN CC[C@@H]1[C@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331289707 374923673 /nfs/dbraw/zinc/92/36/73/374923673.db2.gz AWKJINNVJHFSMQ-JOYOIKCWSA-N 0 2 294.307 1.533 10 5 CDBELN CC1(C)CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)O1 ZINC000187332108 390432440 /nfs/dbraw/zinc/43/24/40/390432440.db2.gz PWSMARWUQWJBOX-JTQLQIEISA-N 0 2 294.307 1.988 10 5 CDBELN Cc1cnccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316736 140163079 /nfs/dbraw/zinc/16/30/79/140163079.db2.gz KQKNBSDFLNXKFH-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN COC1(C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000314635191 292100995 /nfs/dbraw/zinc/10/09/95/292100995.db2.gz FQDOMYJIAHDLCG-UHFFFAOYSA-N 0 2 294.307 1.942 10 5 CDBELN Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1cccn[nH]1 ZINC000346071066 153042984 /nfs/dbraw/zinc/04/29/84/153042984.db2.gz SQJNQGWSUSUZGO-UHFFFAOYSA-N 0 2 258.237 1.367 10 5 CDBELN Nc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000040608684 174353830 /nfs/dbraw/zinc/35/38/30/174353830.db2.gz VKPFSLUALPAINA-UHFFFAOYSA-N 0 2 291.227 1.314 10 5 CDBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000280975744 296925291 /nfs/dbraw/zinc/92/52/91/296925291.db2.gz OVIHOXPBKGOIOM-DTWKUNHWSA-N 0 2 280.280 1.550 10 5 CDBELN CC(C)[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436811522 280110155 /nfs/dbraw/zinc/11/01/55/280110155.db2.gz VHKRCXLYDMKQND-CYBMUJFWSA-N 0 2 282.296 1.437 10 5 CDBELN CC1(C)C[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000413958630 281331807 /nfs/dbraw/zinc/33/18/07/281331807.db2.gz PEVZXBOJMYCGQB-VIFPVBQESA-N 0 2 250.254 1.829 10 5 CDBELN COc1nn(C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436989651 295471640 /nfs/dbraw/zinc/47/16/40/295471640.db2.gz OKLZKDOLRDELHN-UHFFFAOYSA-N 0 2 292.251 1.295 10 5 CDBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408412382 304534559 /nfs/dbraw/zinc/53/45/59/304534559.db2.gz APWBHNONFQKNOH-UWJYBYFXSA-N 0 2 292.291 1.143 10 5 CDBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(C1)CCOC2 ZINC000579398246 324177689 /nfs/dbraw/zinc/17/76/89/324177689.db2.gz BZOQYQMKMUOXMM-UHFFFAOYSA-N 0 2 278.264 1.163 10 5 CDBELN O=C(NC/C=C/Cl)c1ccc([N+](=O)[O-])cc1O ZINC001636909667 1166707418 /nfs/dbraw/zinc/70/74/18/1166707418.db2.gz XYUGIGPQOFLPHK-DAFODLJHSA-N 0 2 256.645 1.783 10 5 CDBELN O=C(Nc1ccnn1C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839491273 711975898 /nfs/dbraw/zinc/97/58/98/711975898.db2.gz MZHQBQFCIKWXCD-GHMZBOCLSA-N 0 2 278.312 1.992 10 5 CDBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CSC(=O)N1 ZINC000221014129 712262341 /nfs/dbraw/zinc/26/23/41/712262341.db2.gz HHNIZHSSMQJDPX-ZETCQYMHSA-N 0 2 283.265 1.064 10 5 CDBELN C[N@@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000234323522 342044167 /nfs/dbraw/zinc/04/41/67/342044167.db2.gz WVVVHOWWJCPJDG-UHFFFAOYSA-N 0 2 293.323 1.467 10 5 CDBELN C[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000234323522 342044168 /nfs/dbraw/zinc/04/41/68/342044168.db2.gz WVVVHOWWJCPJDG-UHFFFAOYSA-N 0 2 293.323 1.467 10 5 CDBELN CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC000592859551 342739253 /nfs/dbraw/zinc/73/92/53/342739253.db2.gz MIDBUSMDXWPTMT-QMMMGPOBSA-N 0 2 296.279 1.229 10 5 CDBELN C[C@]12COC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000598222625 343737124 /nfs/dbraw/zinc/73/71/24/343737124.db2.gz AYZJXCMTPWPMMS-OTYXRUKQSA-N 0 2 292.291 1.409 10 5 CDBELN Cc1cc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]n1C ZINC000336829400 356289923 /nfs/dbraw/zinc/28/99/23/356289923.db2.gz HMTNDGZQKPYSGF-UHFFFAOYSA-N 0 2 276.252 1.017 10 5 CDBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000235506232 140235743 /nfs/dbraw/zinc/23/57/43/140235743.db2.gz VKPAAMXDCRSAJF-ZETCQYMHSA-N 0 2 250.254 1.829 10 5 CDBELN CC1(C)SC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436724465 359516390 /nfs/dbraw/zinc/51/63/90/359516390.db2.gz PXXZXAXQJWCRRZ-SNVBAGLBSA-N 0 2 282.321 1.924 10 5 CDBELN CC1(C)SC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436717676 359482188 /nfs/dbraw/zinc/48/21/88/359482188.db2.gz UQPJXHPWYBAUPH-JTQLQIEISA-N 0 2 282.321 1.924 10 5 CDBELN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1O ZINC000408409991 359748297 /nfs/dbraw/zinc/74/82/97/359748297.db2.gz HQYOLJCKGOLFGP-PELKAZGASA-N 0 2 280.280 1.143 10 5 CDBELN CS[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000383061751 370369509 /nfs/dbraw/zinc/36/95/09/370369509.db2.gz QPEDXNBVUDZQOK-VIFPVBQESA-N 0 2 282.321 1.878 10 5 CDBELN C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283331320 296192217 /nfs/dbraw/zinc/19/22/17/296192217.db2.gz HGLWNPLKPXDEOD-ZJUUUORDSA-N 0 2 294.307 1.676 10 5 CDBELN COC[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600418790 375341417 /nfs/dbraw/zinc/34/14/17/375341417.db2.gz LEKOZRIDXNOJRE-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN O=C(NCC1(CCO)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354825352 375754208 /nfs/dbraw/zinc/75/42/08/375754208.db2.gz RSVYDRMTZMVIRS-UHFFFAOYSA-N 0 2 280.280 1.193 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC[C@@H]1CCO ZINC000448679085 250548309 /nfs/dbraw/zinc/54/83/09/250548309.db2.gz BRBDIBJKFWJAJN-SNVBAGLBSA-N 0 2 294.307 1.678 10 5 CDBELN O=c1[nH]nc(SCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000187632482 140082186 /nfs/dbraw/zinc/08/21/86/140082186.db2.gz JYRSZVCXRIKDQX-UHFFFAOYSA-N 0 2 252.255 1.711 10 5 CDBELN CN(C[C@@H]1CCCCO1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234316307 140229785 /nfs/dbraw/zinc/22/97/85/140229785.db2.gz OFCDZXDYBCAKDO-NSHDSACASA-N 0 2 294.307 1.942 10 5 CDBELN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n(C)n1 ZINC000356156512 157376735 /nfs/dbraw/zinc/37/67/35/157376735.db2.gz RANNISOBRZPVRJ-UHFFFAOYSA-N 0 2 290.279 1.272 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1 ZINC000017328302 296921138 /nfs/dbraw/zinc/92/11/38/296921138.db2.gz NMYKQRWJGJRTFY-RKDXNWHRSA-N 0 2 280.280 1.550 10 5 CDBELN CC[C@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436859490 288234636 /nfs/dbraw/zinc/23/46/36/288234636.db2.gz LJFILZSSRGOKDK-QMMMGPOBSA-N 0 2 250.254 1.925 10 5 CDBELN O=c1cc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)nc2nc[nH]n21 ZINC000436929668 304817048 /nfs/dbraw/zinc/81/70/48/304817048.db2.gz CWPDYUAGUZRXFS-IWQZZHSRSA-N 0 2 299.246 1.202 10 5 CDBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccn1 ZINC000183898717 323350020 /nfs/dbraw/zinc/35/00/20/323350020.db2.gz XUAIPCAJIGEKAO-UHFFFAOYSA-N 0 2 259.221 1.948 10 5 CDBELN Cc1cc(S(=O)(=O)Nc2cc[nH]n2)cc([N+](=O)[O-])c1C ZINC000048798875 525419502 /nfs/dbraw/zinc/41/95/02/525419502.db2.gz ROWYHUPOJSMZIA-UHFFFAOYSA-N 0 2 296.308 1.736 10 5 CDBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnccn1 ZINC001631740245 1166300637 /nfs/dbraw/zinc/30/06/37/1166300637.db2.gz SNABRSSSJCEIKN-MRVPVSSYSA-N 0 2 288.263 1.581 10 5 CDBELN O=C(/C=C\Cn1cncn1)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013935 936454268 /nfs/dbraw/zinc/45/42/68/936454268.db2.gz ZJQXBXLOIOYDBL-UPHRSURJSA-N 0 2 289.251 1.087 10 5 CDBELN Cn1ncc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000827797134 936607792 /nfs/dbraw/zinc/60/77/92/936607792.db2.gz AXWKCQDTFPFXIG-UHFFFAOYSA-N 0 2 291.267 1.000 10 5 CDBELN Cc1ncc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC001556973289 965126148 /nfs/dbraw/zinc/12/61/48/965126148.db2.gz BUXWPUAGFWAMEK-UHFFFAOYSA-N 0 2 277.236 1.527 10 5 CDBELN O=C(Nc1ccnn1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001354852740 968931616 /nfs/dbraw/zinc/93/16/16/968931616.db2.gz MKHBOOUGVBHTTJ-GHMZBOCLSA-N 0 2 272.264 1.476 10 5 CDBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(C2CC2)C1 ZINC000589990580 342518282 /nfs/dbraw/zinc/51/82/82/342518282.db2.gz GDEANDAVRVCUBW-UHFFFAOYSA-N 0 2 262.265 1.782 10 5 CDBELN COCCC1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000591785358 342646704 /nfs/dbraw/zinc/64/67/04/342646704.db2.gz JNGMPIOOAXUIFN-UHFFFAOYSA-N 0 2 280.280 1.409 10 5 CDBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](CCF)C1 ZINC000600498514 342228467 /nfs/dbraw/zinc/22/84/67/342228467.db2.gz XCGUURASRBYPHC-VIFPVBQESA-N 0 2 298.270 1.501 10 5 CDBELN C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CO1 ZINC000401492530 349717455 /nfs/dbraw/zinc/71/74/55/349717455.db2.gz SLEZIJJMTUGCBZ-HTQZYQBOSA-N 0 2 266.253 1.208 10 5 CDBELN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)C1O ZINC000598190256 343731886 /nfs/dbraw/zinc/73/18/86/343731886.db2.gz SHXDPCKRGCVFOJ-RKDXNWHRSA-N 0 2 294.307 1.389 10 5 CDBELN CC(C)(C)n1cnc(=NC(=O)c2ccc([N+](=O)[O-])o2)[nH]1 ZINC000344055085 362539946 /nfs/dbraw/zinc/53/99/46/362539946.db2.gz XMSQHOQDUMUJEX-UHFFFAOYSA-N 0 2 279.256 1.209 10 5 CDBELN CNC(=O)C1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCC1 ZINC000614271696 348051641 /nfs/dbraw/zinc/05/16/41/348051641.db2.gz YPDIBLIBGVNIHA-UHFFFAOYSA-N 0 2 293.279 1.155 10 5 CDBELN CCOCCO[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273344423 192120469 /nfs/dbraw/zinc/12/04/69/192120469.db2.gz LXYHZIGLKPUCQB-SECBINFHSA-N 0 2 298.295 1.681 10 5 CDBELN COC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000059771517 348880526 /nfs/dbraw/zinc/88/05/26/348880526.db2.gz BVGGTOOLAZUDPW-VIFPVBQESA-N 0 2 294.263 1.078 10 5 CDBELN C[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286791796 358008230 /nfs/dbraw/zinc/00/82/30/358008230.db2.gz JSGVBFYFJRLMNV-NXEZZACHSA-N 0 2 294.307 1.703 10 5 CDBELN Cn1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000337486679 358062603 /nfs/dbraw/zinc/06/26/03/358062603.db2.gz ZWRPCYYUVOABKL-UHFFFAOYSA-N 0 2 292.251 1.051 10 5 CDBELN O=C(NC[C@@H](O)C1CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000456883101 364797346 /nfs/dbraw/zinc/79/73/46/364797346.db2.gz OSKUIOAXCDAHHI-LLVKDONJSA-N 0 2 280.280 1.191 10 5 CDBELN O=C(NCCC[C@H]1CCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000456764706 364773417 /nfs/dbraw/zinc/77/34/17/364773417.db2.gz MLOFSOXHBWDZKO-JTQLQIEISA-N 0 2 294.307 1.847 10 5 CDBELN CC[C@@H](CO)N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000452703873 252144600 /nfs/dbraw/zinc/14/46/00/252144600.db2.gz YHTLMVTUJRUHBK-QMMMGPOBSA-N 0 2 268.269 1.143 10 5 CDBELN CCN(CCOC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233465892 140227457 /nfs/dbraw/zinc/22/74/57/140227457.db2.gz RBPCKPQBPVJSDA-UHFFFAOYSA-N 0 2 268.269 1.409 10 5 CDBELN O=C(NCc1cscn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236562176 140241233 /nfs/dbraw/zinc/24/12/33/140241233.db2.gz ACRIUGUWEPPPMT-UHFFFAOYSA-N 0 2 279.277 1.687 10 5 CDBELN CCOC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000452277967 286006557 /nfs/dbraw/zinc/00/65/57/286006557.db2.gz QRZYSLYBGQXHPV-UHFFFAOYSA-N 0 2 280.280 1.551 10 5 CDBELN CC(=O)C[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354194465 156318156 /nfs/dbraw/zinc/31/81/56/156318156.db2.gz IFQZAGBVIYZAHJ-SSDOTTSWSA-N 0 2 266.253 1.398 10 5 CDBELN O=C(NCCCCCO)c1cc(O)ccc1[N+](=O)[O-] ZINC000355463871 157066942 /nfs/dbraw/zinc/06/69/42/157066942.db2.gz HEXJZYOPFPVQRI-UHFFFAOYSA-N 0 2 268.269 1.193 10 5 CDBELN C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000359832757 158393352 /nfs/dbraw/zinc/39/33/52/158393352.db2.gz MDVNRUZOVFUZNK-YMTOWFKASA-N 0 2 294.307 1.581 10 5 CDBELN O=C(Nc1ccccc1-c1nc[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371401035 160005411 /nfs/dbraw/zinc/00/54/11/160005411.db2.gz LKVPLRVYZBAWTB-PSASIEDQSA-N 0 2 273.252 1.075 10 5 CDBELN O=C(Nc1ccccc1-c1nnc[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371401035 160005413 /nfs/dbraw/zinc/00/54/13/160005413.db2.gz LKVPLRVYZBAWTB-PSASIEDQSA-N 0 2 273.252 1.075 10 5 CDBELN O=C(NCC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC001587005214 1172967698 /nfs/dbraw/zinc/96/76/98/1172967698.db2.gz KHPOAMSLRFLJMF-QMMMGPOBSA-N 0 2 290.222 1.046 10 5 CDBELN C[C@H](O)[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000560206311 290477590 /nfs/dbraw/zinc/47/75/90/290477590.db2.gz DZFKTJJZZQTMNJ-UWVGGRQHSA-N 0 2 294.307 1.533 10 5 CDBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000235675239 300188028 /nfs/dbraw/zinc/18/80/28/300188028.db2.gz QQKHDVVSULFZPI-VIFPVBQESA-N 0 2 280.280 1.551 10 5 CDBELN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc([N+](=O)[O-])ccc1O ZINC000436824105 303911597 /nfs/dbraw/zinc/91/15/97/303911597.db2.gz YSQBVYCDEDPXNV-BZBKMWRSSA-N 0 2 262.265 1.829 10 5 CDBELN CCOCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183915989 521677690 /nfs/dbraw/zinc/67/76/90/521677690.db2.gz JVJWCKBSWNPMBC-UHFFFAOYSA-N 0 2 254.242 1.666 10 5 CDBELN Cc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001631525690 1166285075 /nfs/dbraw/zinc/28/50/75/1166285075.db2.gz ICHRMZFBHGBLFD-UHFFFAOYSA-N 0 2 287.275 1.934 10 5 CDBELN