smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc([O-])cc(Nc2cccc(CO)n2)c1 ZINC001199819589 925856287 /nfs/dbraw/zinc/85/62/87/925856287.db2.gz ZUYAAMCKPOWJAI-UHFFFAOYSA-N -1 3 261.237 1.931 20 5 CDBDHM CN(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC1 ZINC001109367902 928896582 /nfs/dbraw/zinc/89/65/82/928896582.db2.gz QHWROGWZCKODBN-UHFFFAOYSA-N -1 3 294.311 1.366 20 5 CDBDHM COc1ncc([N+](=O)[O-])c([N-]COc2ccccc2)n1 ZINC001170805453 930121620 /nfs/dbraw/zinc/12/16/20/930121620.db2.gz ALAYOXNUMVTLAO-UHFFFAOYSA-N -1 3 276.252 1.842 20 5 CDBDHM CCOC(=O)C1CC(Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666683 941897110 /nfs/dbraw/zinc/89/71/10/941897110.db2.gz KYLHRHUXLCLMHY-UHFFFAOYSA-N -1 3 282.252 1.416 20 5 CDBDHM CO[C@H](C)COc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690720 942205534 /nfs/dbraw/zinc/20/55/34/942205534.db2.gz JXSWQFRAWASEPB-ZCFIWIBFSA-N -1 3 252.230 1.280 20 5 CDBDHM O=C1OCCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744242 942216448 /nfs/dbraw/zinc/21/64/48/942216448.db2.gz FSAUOANKJNWXPL-SNVBAGLBSA-N -1 3 277.236 1.556 20 5 CDBDHM O=C1OCCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744242 942216453 /nfs/dbraw/zinc/21/64/53/942216453.db2.gz FSAUOANKJNWXPL-SNVBAGLBSA-N -1 3 277.236 1.556 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CO[C@H]3OCC[C@@H]23)c1[N+](=O)[O-] ZINC001228686185 942357957 /nfs/dbraw/zinc/35/79/57/942357957.db2.gz MFPGVRFLMGMINV-QOSJWCAFSA-N -1 3 282.252 1.144 20 5 CDBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CCCN(C)C2)[n-]1 ZINC001231261254 942839133 /nfs/dbraw/zinc/83/91/33/942839133.db2.gz ZUGJSIXLSZUNDC-VIFPVBQESA-N -1 3 267.285 1.477 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCCN(C)C2)n1 ZINC001231261254 942839139 /nfs/dbraw/zinc/83/91/39/942839139.db2.gz ZUGJSIXLSZUNDC-VIFPVBQESA-N -1 3 267.285 1.477 20 5 CDBDHM CC(COC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[N+](=O)[O-] ZINC001592763502 979363647 /nfs/dbraw/zinc/36/36/47/979363647.db2.gz GSLAEAISIFMTOQ-YIZRAAEISA-N -1 3 259.258 1.086 20 5 CDBDHM CCOCCNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596932155 986029516 /nfs/dbraw/zinc/02/95/16/986029516.db2.gz OLDUOZNRRZTOAP-UHFFFAOYSA-N -1 3 298.295 1.184 20 5 CDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001593717756 996236845 /nfs/dbraw/zinc/23/68/45/996236845.db2.gz RRECCWIHRYANSP-OUAUKWLOSA-N -1 3 294.307 1.423 20 5 CDBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)c(F)cc1[N+](=O)[O-] ZINC000601195091 342488760 /nfs/dbraw/zinc/48/87/60/342488760.db2.gz CVFAUSMCJNRGMZ-VIFPVBQESA-N -1 3 294.286 1.966 20 5 CDBDHM CCOc1cc(CN(CC)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744121 342827581 /nfs/dbraw/zinc/82/75/81/342827581.db2.gz AAEMKHJYRLUPFX-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM C[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182777 343250639 /nfs/dbraw/zinc/25/06/39/343250639.db2.gz SGTLCHUEVSLHML-JGVFFNPUSA-N -1 3 253.258 1.675 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000596172633 343259751 /nfs/dbraw/zinc/25/97/51/343259751.db2.gz WHWGTYRLHHTVLX-UWVGGRQHSA-N -1 3 279.296 1.558 20 5 CDBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H]1O ZINC000596223013 343271130 /nfs/dbraw/zinc/27/11/30/343271130.db2.gz OREOWWKNEYQCBR-SECBINFHSA-N -1 3 267.285 1.293 20 5 CDBDHM CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1 ZINC000598571984 343833027 /nfs/dbraw/zinc/83/30/27/343833027.db2.gz JJAHQBOAIGDPPQ-LLVKDONJSA-N -1 3 293.323 1.370 20 5 CDBDHM CC(C)[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1 ZINC000598573791 343833444 /nfs/dbraw/zinc/83/34/44/343833444.db2.gz OSAJPPKAMKSHOT-CYBMUJFWSA-N -1 3 293.323 1.370 20 5 CDBDHM Cc1cnc([N-]c2cnn(CCO)c2)c([N+](=O)[O-])c1 ZINC000610283931 346244200 /nfs/dbraw/zinc/24/42/00/346244200.db2.gz SPKOKEPYGPAWRZ-UHFFFAOYSA-N -1 3 263.257 1.231 20 5 CDBDHM Cc1c(CN2CC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000062133439 363013756 /nfs/dbraw/zinc/01/37/56/363013756.db2.gz DTSVTEBYDDKSOO-LLVKDONJSA-N -1 3 264.281 1.810 20 5 CDBDHM CCO[N-]C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000273568501 192209251 /nfs/dbraw/zinc/20/92/51/192209251.db2.gz HSRDUGGELXQTAL-UHFFFAOYSA-N -1 3 255.230 1.676 20 5 CDBDHM CCc1nnc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])o1 ZINC000295864667 199696754 /nfs/dbraw/zinc/69/67/54/199696754.db2.gz GUEAIPHLEDSOJM-UHFFFAOYSA-N -1 3 294.267 1.867 20 5 CDBDHM CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000566511260 358027774 /nfs/dbraw/zinc/02/77/74/358027774.db2.gz NSELMGFJTHGBHG-STQMWFEESA-N -1 3 294.307 1.659 20 5 CDBDHM COc1cc(C(=O)[N-]C2=NO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294787932 199183989 /nfs/dbraw/zinc/18/39/89/199183989.db2.gz BAENINCRBIHCJG-LURJTMIESA-N -1 3 297.242 1.595 20 5 CDBDHM CCn1ncc(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2F)n1 ZINC000297914407 200303620 /nfs/dbraw/zinc/30/36/20/200303620.db2.gz XEACOLMDSZXSRC-UHFFFAOYSA-N -1 3 293.258 1.906 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]OCCC(F)(F)F)c1[N+](=O)[O-] ZINC000275230934 192968599 /nfs/dbraw/zinc/96/85/99/192968599.db2.gz LKUHRVGKXLMUKP-UHFFFAOYSA-N -1 3 296.205 1.494 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000541004988 364763073 /nfs/dbraw/zinc/76/30/73/364763073.db2.gz YGIZUECHKKPUAM-JTQLQIEISA-N -1 3 291.311 1.531 20 5 CDBDHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121416938 364775584 /nfs/dbraw/zinc/77/55/84/364775584.db2.gz YHZAXPYTJNUJBR-RKDXNWHRSA-N -1 3 286.309 1.051 20 5 CDBDHM Cc1cc(C)nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193741475 372053629 /nfs/dbraw/zinc/05/36/29/372053629.db2.gz UEZQUGLDBPUBRS-UHFFFAOYSA-N -1 3 288.263 1.960 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCF ZINC000435642368 248182708 /nfs/dbraw/zinc/18/27/08/248182708.db2.gz UCNNWHCJRAAWHU-UHFFFAOYSA-N -1 3 262.262 1.151 20 5 CDBDHM Cc1noc(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445194456 250213295 /nfs/dbraw/zinc/21/32/95/250213295.db2.gz YSZVXQZFMHICPC-UHFFFAOYSA-N -1 3 278.224 1.553 20 5 CDBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]O[C@H]1CCOC1 ZINC000492502461 253233569 /nfs/dbraw/zinc/23/35/69/253233569.db2.gz LGFCLESZFDLYMQ-RXNFCKPNSA-N -1 3 278.264 1.445 20 5 CDBDHM CCc1nn(C)c(Sc2nnc(COC)[n-]2)c1[N+](=O)[O-] ZINC000288978524 197204903 /nfs/dbraw/zinc/20/49/03/197204903.db2.gz VCHOQECIJDXNTN-UHFFFAOYSA-N -1 3 298.328 1.306 20 5 CDBDHM CCc1nn(C)c(Sc2nc(COC)n[n-]2)c1[N+](=O)[O-] ZINC000288978524 197204904 /nfs/dbraw/zinc/20/49/04/197204904.db2.gz VCHOQECIJDXNTN-UHFFFAOYSA-N -1 3 298.328 1.306 20 5 CDBDHM CCc1nn(C)c(Sc2n[n-]c(COC)n2)c1[N+](=O)[O-] ZINC000288978524 197204906 /nfs/dbraw/zinc/20/49/06/197204906.db2.gz VCHOQECIJDXNTN-UHFFFAOYSA-N -1 3 298.328 1.306 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCF)c(Cl)c1 ZINC000134519704 390206678 /nfs/dbraw/zinc/20/66/78/390206678.db2.gz NFRLOKQNOGAOPF-UHFFFAOYSA-N -1 3 296.707 1.886 20 5 CDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc([O-])cc1F ZINC000360854004 397894439 /nfs/dbraw/zinc/89/44/39/397894439.db2.gz UBRWLJPRIQWTLO-UHFFFAOYSA-N -1 3 280.215 1.275 20 5 CDBDHM Cc1cnc(NCc2cnc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC000343598577 152239256 /nfs/dbraw/zinc/23/92/56/152239256.db2.gz NKKPUPDSVWGOPF-UHFFFAOYSA-N -1 3 275.268 1.714 20 5 CDBDHM C[C@H]1[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCN1C ZINC000346071757 153043491 /nfs/dbraw/zinc/04/34/91/153043491.db2.gz NRYCFCOBZGXCLQ-ZANVPECISA-N -1 3 293.323 1.513 20 5 CDBDHM CC(C)CCn1ccc(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)[nH]1 ZINC000354136677 156282737 /nfs/dbraw/zinc/28/27/37/156282737.db2.gz CMJYIQYEMDYLGC-UHFFFAOYSA-N -1 3 292.299 1.235 20 5 CDBDHM CC(C)CCn1ccc(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)[nH]1 ZINC000354136677 156282741 /nfs/dbraw/zinc/28/27/41/156282741.db2.gz CMJYIQYEMDYLGC-UHFFFAOYSA-N -1 3 292.299 1.235 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccoc1 ZINC000045814422 175384533 /nfs/dbraw/zinc/38/45/33/175384533.db2.gz JGOLITNEDYUQQB-UHFFFAOYSA-N -1 3 282.277 1.666 20 5 CDBDHM CC(=O)c1ccc(Sc2n[n-]c(CO)n2)c([N+](=O)[O-])c1 ZINC000530352134 281470998 /nfs/dbraw/zinc/47/09/98/281470998.db2.gz ABZWXQSFAOHMFT-UHFFFAOYSA-N -1 3 294.292 1.559 20 5 CDBDHM O=C(N=c1cc2ccccn2[n-]1)c1ccccc1[N+](=O)[O-] ZINC000553001863 290089670 /nfs/dbraw/zinc/08/96/70/290089670.db2.gz WCXMBHMGRYXDQZ-UHFFFAOYSA-N -1 3 282.259 1.917 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N=c1cc2ccccn2[n-]1 ZINC000553331930 290112781 /nfs/dbraw/zinc/11/27/81/290112781.db2.gz CSDWRLGRMQYELW-UHFFFAOYSA-N -1 3 296.286 1.846 20 5 CDBDHM O=C(Cc1cncc([O-])c1)NCc1ccccc1[N+](=O)[O-] ZINC000576452069 317140919 /nfs/dbraw/zinc/14/09/19/317140919.db2.gz DFEGOFQCRIQXML-UHFFFAOYSA-N -1 3 287.275 1.554 20 5 CDBDHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000049239435 524846592 /nfs/dbraw/zinc/84/65/92/524846592.db2.gz BEYXUXQSIRXSGE-JGVFFNPUSA-N -1 3 288.300 1.668 20 5 CDBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736279123 575610840 /nfs/dbraw/zinc/61/08/40/575610840.db2.gz KSPWODFNKXEFBT-MRVPVSSYSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736279123 575610841 /nfs/dbraw/zinc/61/08/41/575610841.db2.gz KSPWODFNKXEFBT-MRVPVSSYSA-N -1 3 274.284 1.621 20 5 CDBDHM CC(C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(=O)[O-] ZINC000736339706 575629540 /nfs/dbraw/zinc/62/95/40/575629540.db2.gz PBXYEVZGLVXODI-UHFFFAOYSA-N -1 3 296.279 1.414 20 5 CDBDHM CN(CC(F)F)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736788535 575745156 /nfs/dbraw/zinc/74/51/56/575745156.db2.gz MEFXDVHZTMYOGE-UHFFFAOYSA-N -1 3 284.226 1.476 20 5 CDBDHM CN(CC(F)F)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736788535 575745158 /nfs/dbraw/zinc/74/51/58/575745158.db2.gz MEFXDVHZTMYOGE-UHFFFAOYSA-N -1 3 284.226 1.476 20 5 CDBDHM CC1(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768845023 576312695 /nfs/dbraw/zinc/31/26/95/576312695.db2.gz CCPKFAHGEUYBNI-UHFFFAOYSA-N -1 3 276.339 1.735 20 5 CDBDHM O=C([O-])CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000116342814 597766271 /nfs/dbraw/zinc/76/62/71/597766271.db2.gz JASTTYLGHBWFTJ-UHFFFAOYSA-N -1 3 293.323 1.582 20 5 CDBDHM CCC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821039778 606419588 /nfs/dbraw/zinc/41/95/88/606419588.db2.gz GSINFKKCFGNLKX-GMSGAONNSA-N -1 3 289.299 1.770 20 5 CDBDHM CCC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821039778 606419590 /nfs/dbraw/zinc/41/95/90/606419590.db2.gz GSINFKKCFGNLKX-GMSGAONNSA-N -1 3 289.299 1.770 20 5 CDBDHM C[C@@H](CCCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820243231 606730413 /nfs/dbraw/zinc/73/04/13/606730413.db2.gz YNPPZBPEESWKKD-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](CCCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820243231 606730414 /nfs/dbraw/zinc/73/04/14/606730414.db2.gz YNPPZBPEESWKKD-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825021664 608148823 /nfs/dbraw/zinc/14/88/23/608148823.db2.gz SFHNPLMSDCTRMV-XCBNKYQSSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825021664 608148825 /nfs/dbraw/zinc/14/88/25/608148825.db2.gz SFHNPLMSDCTRMV-XCBNKYQSSA-N -1 3 290.283 1.364 20 5 CDBDHM O=C([O-])C1(N(Cc2cccnc2[N+](=O)[O-])C2CC2)CCC1 ZINC000903608969 626033587 /nfs/dbraw/zinc/03/35/87/626033587.db2.gz QGTGYDCONKCDJS-UHFFFAOYSA-N -1 3 291.307 1.962 20 5 CDBDHM CC(C)OCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000795068435 678226928 /nfs/dbraw/zinc/22/69/28/678226928.db2.gz GETCHSXSKMGMLV-UHFFFAOYSA-N -1 3 282.296 1.610 20 5 CDBDHM CCOc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1 ZINC000794625677 678832750 /nfs/dbraw/zinc/83/27/50/678832750.db2.gz PODZIMCAKQSTSZ-UHFFFAOYSA-N -1 3 277.236 1.936 20 5 CDBDHM CN(C)c1cc(F)c(C(=O)[N-]c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000791211344 678889243 /nfs/dbraw/zinc/88/92/43/678889243.db2.gz MQKVOUXARJQXQG-UHFFFAOYSA-N -1 3 294.246 1.170 20 5 CDBDHM CCC[C@@H](O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604147078 1163107131 /nfs/dbraw/zinc/10/71/31/1163107131.db2.gz LQCJTXPKIYXMLN-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@@H](O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604147078 1163107136 /nfs/dbraw/zinc/10/71/36/1163107136.db2.gz LQCJTXPKIYXMLN-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CCON(C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590818258 1173522052 /nfs/dbraw/zinc/52/20/52/1173522052.db2.gz VRLPLWQTIYNKSR-UHFFFAOYSA-N -1 3 282.235 1.302 20 5 CDBDHM CCON(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590818258 1173522056 /nfs/dbraw/zinc/52/20/56/1173522056.db2.gz VRLPLWQTIYNKSR-UHFFFAOYSA-N -1 3 282.235 1.302 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@@H](F)[C@@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001593479404 1174081896 /nfs/dbraw/zinc/08/18/96/1174081896.db2.gz XEQCVSDYXZPNTH-DTORHVGOSA-N -1 3 296.237 1.271 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@@H](F)[C@@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001593479404 1174081902 /nfs/dbraw/zinc/08/19/02/1174081902.db2.gz XEQCVSDYXZPNTH-DTORHVGOSA-N -1 3 296.237 1.271 20 5 CDBDHM CC(C)C(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105330404 900195838 /nfs/dbraw/zinc/19/58/38/900195838.db2.gz GTWIVMDTXZVHQX-UHFFFAOYSA-N -1 3 296.327 1.246 20 5 CDBDHM CC1(C)OC[C@H](CCOc2nccc([O-])c2[N+](=O)[O-])O1 ZINC001225665541 903638133 /nfs/dbraw/zinc/63/81/33/903638133.db2.gz BPIYCDBYAXDTEQ-QMMMGPOBSA-N -1 3 284.268 1.616 20 5 CDBDHM COC(=O)c1nsnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819561 925856322 /nfs/dbraw/zinc/85/63/22/925856322.db2.gz YJGMGWNEJMHEKQ-UHFFFAOYSA-N -1 3 296.264 1.682 20 5 CDBDHM O=C([O-])[C@H](CC(F)F)NCc1csc([N+](=O)[O-])c1 ZINC001119601435 937737475 /nfs/dbraw/zinc/73/74/75/937737475.db2.gz DMRIFQBLIVBYPX-LURJTMIESA-N -1 3 280.252 1.854 20 5 CDBDHM CC1(C)COC(=O)[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693210 942205956 /nfs/dbraw/zinc/20/59/56/942205956.db2.gz ONXDFHLBWRTDRD-VIFPVBQESA-N -1 3 292.251 1.197 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC001228687405 942357524 /nfs/dbraw/zinc/35/75/24/942357524.db2.gz 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1.034 20 5 CDBDHM CCOCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337823674 358359605 /nfs/dbraw/zinc/35/96/05/358359605.db2.gz WFBIVACACAPHAU-UHFFFAOYSA-N -1 3 288.325 1.218 20 5 CDBDHM Cc1cc([N-]C(=O)COc2ccccc2[N+](=O)[O-])on1 ZINC000014073480 358865062 /nfs/dbraw/zinc/86/50/62/358865062.db2.gz QFADIOBXFMUGEN-UHFFFAOYSA-N -1 3 277.236 1.909 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1NCc1ccc([O-])c(F)c1 ZINC000348231031 360633776 /nfs/dbraw/zinc/63/37/76/360633776.db2.gz NFADPLFUUAUNQB-UHFFFAOYSA-N -1 3 266.232 1.785 20 5 CDBDHM CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179474896 189196611 /nfs/dbraw/zinc/19/66/11/189196611.db2.gz BBTRJCSBEWULJE-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM COCc1nnc(Sc2nccc(C)c2[N+](=O)[O-])[n-]1 ZINC000268474650 364783826 /nfs/dbraw/zinc/78/38/26/364783826.db2.gz JFXYRQJAHQGMCY-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM COCc1n[n-]c(Sc2nccc(C)c2[N+](=O)[O-])n1 ZINC000268474650 364783837 /nfs/dbraw/zinc/78/38/37/364783837.db2.gz 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253035532 /nfs/dbraw/zinc/03/55/32/253035532.db2.gz FXHOBRUZIBPHLX-UHFFFAOYSA-N -1 3 296.304 1.975 20 5 CDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)CN1C ZINC000519782356 391220448 /nfs/dbraw/zinc/22/04/48/391220448.db2.gz ZTKNSYJKTQVXBW-ZJUUUORDSA-N -1 3 293.323 1.822 20 5 CDBDHM COC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077607531 392882219 /nfs/dbraw/zinc/88/22/19/392882219.db2.gz OVWBWSNCGUOHQP-ZETCQYMHSA-N -1 3 292.288 1.047 20 5 CDBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nncs1 ZINC000021214569 171299652 /nfs/dbraw/zinc/29/96/52/171299652.db2.gz OOKRANUUWUJYPJ-UHFFFAOYSA-N -1 3 279.281 1.740 20 5 CDBDHM CN(CCC(=O)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000062727027 522686147 /nfs/dbraw/zinc/68/61/47/522686147.db2.gz KVZIKMOAGZDEEG-UHFFFAOYSA-N -1 3 252.270 1.544 20 5 CDBDHM NC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000152815703 534497712 /nfs/dbraw/zinc/49/77/12/534497712.db2.gz UODZOENIQRGJBC-UHFFFAOYSA-N -1 3 292.276 1.403 20 5 CDBDHM CC(C)c1n[nH]c(C(=O)[N-]OCC(F)(F)F)c1[N+](=O)[O-] ZINC000771651331 575601725 /nfs/dbraw/zinc/60/17/25/575601725.db2.gz XAZWPWRROKJNAX-UHFFFAOYSA-N -1 3 296.205 1.665 20 5 CDBDHM CO[C@@H](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736960233 575777614 /nfs/dbraw/zinc/77/76/14/575777614.db2.gz GNQZWFWQEQURHL-ZETCQYMHSA-N -1 3 293.287 1.007 20 5 CDBDHM CO[C@@H](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736960233 575777616 /nfs/dbraw/zinc/77/76/16/575777616.db2.gz GNQZWFWQEQURHL-ZETCQYMHSA-N -1 3 293.287 1.007 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000738370384 576063542 /nfs/dbraw/zinc/06/35/42/576063542.db2.gz PLKHOHFITZSZDO-KWQFWETISA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000738370384 576063543 /nfs/dbraw/zinc/06/35/43/576063543.db2.gz PLKHOHFITZSZDO-KWQFWETISA-N -1 3 286.295 1.764 20 5 CDBDHM CN(CC1CC1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821596703 606645415 /nfs/dbraw/zinc/64/54/15/606645415.db2.gz RUWHCLWAJSLZAI-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM Cc1c(Cn2ccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826241256 607891119 /nfs/dbraw/zinc/89/11/19/607891119.db2.gz WVEQTLFRZQAAHK-UHFFFAOYSA-N -1 3 284.279 1.933 20 5 CDBDHM Cc1c(Cn2ccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826241256 607891120 /nfs/dbraw/zinc/89/11/20/607891120.db2.gz WVEQTLFRZQAAHK-UHFFFAOYSA-N -1 3 284.279 1.933 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC=CCC1 ZINC000826497268 609431059 /nfs/dbraw/zinc/43/10/59/609431059.db2.gz AEHNBVWYBOVINT-UHFFFAOYSA-N -1 3 272.268 1.541 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC=CCC1 ZINC000826497268 609431061 /nfs/dbraw/zinc/43/10/61/609431061.db2.gz AEHNBVWYBOVINT-UHFFFAOYSA-N -1 3 272.268 1.541 20 5 CDBDHM CC(C)CN(CC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC000903595880 626035908 /nfs/dbraw/zinc/03/59/08/626035908.db2.gz KPQFTOLUWWPACA-UHFFFAOYSA-N -1 3 267.285 1.532 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC=C(F)C2)c(-c2nnn[n-]2)c1 ZINC000826498564 683707794 /nfs/dbraw/zinc/70/77/94/683707794.db2.gz APVGGXYRZAZIKT-UHFFFAOYSA-N -1 3 290.258 1.838 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC=C(F)C2)c(-c2nn[n-]n2)c1 ZINC000826498564 683707799 /nfs/dbraw/zinc/70/77/99/683707799.db2.gz APVGGXYRZAZIKT-UHFFFAOYSA-N -1 3 290.258 1.838 20 5 CDBDHM C[C@H](NC[C@](C)(O)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001607460844 1164189218 /nfs/dbraw/zinc/18/92/18/1164189218.db2.gz PDLRIQZNTFROKC-UFBFGSQYSA-N -1 3 268.269 1.081 20 5 CDBDHM C[C@H]1C[C@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590221070 1173302565 /nfs/dbraw/zinc/30/25/65/1173302565.db2.gz QIMCKQVKCHKZFE-CBAPKCEASA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@H]1C[C@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590221070 1173302573 /nfs/dbraw/zinc/30/25/73/1173302573.db2.gz QIMCKQVKCHKZFE-CBAPKCEASA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590264619 1173328495 /nfs/dbraw/zinc/32/84/95/1173328495.db2.gz OLYFLHZHHSKDOF-SSDOTTSWSA-N -1 3 275.272 1.159 20 5 CDBDHM C[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590264619 1173328507 /nfs/dbraw/zinc/32/85/07/1173328507.db2.gz OLYFLHZHHSKDOF-SSDOTTSWSA-N -1 3 275.272 1.159 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(N2CCCCC2)c1-c1nnn[n-]1 ZINC001592757274 1173985344 /nfs/dbraw/zinc/98/53/44/1173985344.db2.gz OUBCOVZTZGWGOR-UHFFFAOYSA-N -1 3 289.299 1.347 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(N2CCCCC2)c1-c1nn[n-]n1 ZINC001592757274 1173985350 /nfs/dbraw/zinc/98/53/50/1173985350.db2.gz OUBCOVZTZGWGOR-UHFFFAOYSA-N -1 3 289.299 1.347 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1CCOC1 ZINC001593469208 1174080363 /nfs/dbraw/zinc/08/03/63/1174080363.db2.gz TVTKXIBWNHGGKP-ZCFIWIBFSA-N -1 3 294.246 1.115 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1CCOC1 ZINC001593469208 1174080369 /nfs/dbraw/zinc/08/03/69/1174080369.db2.gz TVTKXIBWNHGGKP-ZCFIWIBFSA-N -1 3 294.246 1.115 20 5 CDBDHM O=[N+]([O-])c1cc(Nc2cn[nH]c2)ccc1-c1nnn[n-]1 ZINC001593473670 1174081457 /nfs/dbraw/zinc/08/14/57/1174081457.db2.gz JGTYBWLRTYDLTF-UHFFFAOYSA-N -1 3 272.228 1.242 20 5 CDBDHM C[C@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603566690 1175566954 /nfs/dbraw/zinc/56/69/54/1175566954.db2.gz SZLXHRRKAOPTMM-SFYZADRCSA-N -1 3 292.299 1.204 20 5 CDBDHM CCC1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001604111738 1175769093 /nfs/dbraw/zinc/76/90/93/1175769093.db2.gz IZBAVGLCGRJHTD-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CCC1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001604111738 1175769099 /nfs/dbraw/zinc/76/90/99/1175769099.db2.gz IZBAVGLCGRJHTD-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@@H](F)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609117348 1164780686 /nfs/dbraw/zinc/78/06/86/1164780686.db2.gz OKXSFHXCWNQYQB-SSDOTTSWSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@@H](F)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609117348 1164780691 /nfs/dbraw/zinc/78/06/91/1164780691.db2.gz OKXSFHXCWNQYQB-SSDOTTSWSA-N -1 3 280.263 1.935 20 5 CDBDHM COC[C@@](C)(NCc1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-] ZINC001610243573 1165269419 /nfs/dbraw/zinc/26/94/19/1165269419.db2.gz HZCMAOKZIVHVCQ-CYBMUJFWSA-N -1 3 298.295 1.183 20 5 CDBDHM Cc1ncc(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001173226943 912320317 /nfs/dbraw/zinc/32/03/17/912320317.db2.gz DUTWHQSMBDPQKG-TVQRCGJNSA-N -1 3 288.307 1.513 20 5 CDBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001094277132 910438984 /nfs/dbraw/zinc/43/89/84/910438984.db2.gz OQGXCAHDPVQRBM-UHFFFAOYSA-N -1 3 280.284 1.024 20 5 CDBDHM COc1ccc([N+](=O)[O-])nc1NCc1ncccc1[O-] ZINC001169732447 928397454 /nfs/dbraw/zinc/39/74/54/928397454.db2.gz XKWJUQMUOWSBBR-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CCN(CCF)CC1 ZINC001225666804 941897669 /nfs/dbraw/zinc/89/76/69/941897669.db2.gz MSVLEVMEYBJCQJ-UHFFFAOYSA-N -1 3 285.275 1.508 20 5 CDBDHM O=c1cc[n-]c(OC2CCN(CCF)CC2)c1[N+](=O)[O-] ZINC001225666804 941897671 /nfs/dbraw/zinc/89/76/71/941897671.db2.gz MSVLEVMEYBJCQJ-UHFFFAOYSA-N -1 3 285.275 1.508 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccnc(=S)[n-]1 ZINC001226940347 942097210 /nfs/dbraw/zinc/09/72/10/942097210.db2.gz PPWSXKWXLWNNPE-ZETCQYMHSA-N -1 3 295.324 1.646 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(=O)[n-]cn1 ZINC001226944702 942098728 /nfs/dbraw/zinc/09/87/28/942098728.db2.gz IGDZCYFLICSYLA-SSDOTTSWSA-N -1 3 279.256 1.063 20 5 CDBDHM CC(=O)[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692081 942205676 /nfs/dbraw/zinc/20/56/76/942205676.db2.gz SUPIHUKMQOFUCO-LURJTMIESA-N -1 3 250.214 1.222 20 5 CDBDHM O=C([O-])CN(Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC001262160773 946480133 /nfs/dbraw/zinc/48/01/33/946480133.db2.gz OQVPBWMXZVLWDT-UHFFFAOYSA-N -1 3 265.269 1.286 20 5 CDBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[S@@]1=O ZINC001328024492 955165440 /nfs/dbraw/zinc/16/54/40/955165440.db2.gz 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343249186 /nfs/dbraw/zinc/24/91/86/343249186.db2.gz HVXXOTWOHXIVAX-UHFFFAOYSA-N -1 3 294.311 1.177 20 5 CDBDHM CC1(O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596159783 343255604 /nfs/dbraw/zinc/25/56/04/343255604.db2.gz JAQDELWFZMIBRF-UHFFFAOYSA-N -1 3 253.258 1.047 20 5 CDBDHM C[C@@]1(O)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596176528 343260685 /nfs/dbraw/zinc/26/06/85/343260685.db2.gz HRYHDIYCRZMLNY-LLVKDONJSA-N -1 3 253.258 1.047 20 5 CDBDHM CC(C)[C@H](CO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596232592 343262021 /nfs/dbraw/zinc/26/20/21/343262021.db2.gz WKVMXDPCMZTJJY-QMMMGPOBSA-N -1 3 255.274 1.372 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000596217340 343269096 /nfs/dbraw/zinc/26/90/96/343269096.db2.gz JQNROYGRNVRJFI-NOZJJQNGSA-N -1 3 295.295 1.080 20 5 CDBDHM CO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596253740 343275221 /nfs/dbraw/zinc/27/52/21/343275221.db2.gz DGVHUNOUFHBKHS-PSASIEDQSA-N -1 3 267.285 1.557 20 5 CDBDHM CN(C)CC(C)(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457230085 365792447 /nfs/dbraw/zinc/79/24/47/365792447.db2.gz DXANIXFHOMTGDV-UHFFFAOYSA-N -1 3 281.312 1.370 20 5 CDBDHM CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000108461819 348916922 /nfs/dbraw/zinc/91/69/22/348916922.db2.gz YBLHNEUKMSOEEH-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]OC/C=C/Cl)c1[N+](=O)[O-] ZINC000291924311 198106274 /nfs/dbraw/zinc/10/62/74/198106274.db2.gz UQMDHMJUIODHHO-ONEGZZNKSA-N -1 3 274.664 1.294 20 5 CDBDHM CCC(=O)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000274381691 192565016 /nfs/dbraw/zinc/56/50/16/192565016.db2.gz SQWWHRQKMNJJOL-UHFFFAOYSA-N -1 3 286.309 1.161 20 5 CDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncn2C)c1 ZINC000159087552 357249969 /nfs/dbraw/zinc/24/99/69/357249969.db2.gz OLYYTTAVSMLGSU-UHFFFAOYSA-N -1 3 293.308 1.698 20 5 CDBDHM CC(C)n1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000566787522 358423534 /nfs/dbraw/zinc/42/35/34/358423534.db2.gz 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COc1ccc([N-]C(=O)c2csnn2)cc1[N+](=O)[O-] ZINC000360736642 390592559 /nfs/dbraw/zinc/59/25/59/390592559.db2.gz HAPMCASHADURNC-UHFFFAOYSA-N -1 3 280.265 1.707 20 5 CDBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]O[C@H]1CCOC1 ZINC000493793733 393221365 /nfs/dbraw/zinc/22/13/65/393221365.db2.gz RDQNSKQJUQEKTK-GZTOBOFZSA-N -1 3 278.264 1.445 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCF ZINC000134517523 393268771 /nfs/dbraw/zinc/26/87/71/393268771.db2.gz AQIHZYILZGEHDH-UHFFFAOYSA-N -1 3 276.289 1.541 20 5 CDBDHM C[C@@H](CO)Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589884453 1173196329 /nfs/dbraw/zinc/19/63/29/1173196329.db2.gz LZBNDCSNMCJTGL-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@@H](CO)Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589884453 1173196334 /nfs/dbraw/zinc/19/63/34/1173196334.db2.gz LZBNDCSNMCJTGL-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM COCCCO[N-]C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868329640 686860644 /nfs/dbraw/zinc/86/06/44/686860644.db2.gz FYSDOGRRTFZECL-UHFFFAOYSA-N -1 3 286.259 1.361 20 5 CDBDHM COCCSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591447247 1173653027 /nfs/dbraw/zinc/65/30/27/1173653027.db2.gz KDEOJBWXFKOWAG-UHFFFAOYSA-N -1 3 295.324 1.655 20 5 CDBDHM COCCSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591447247 1173653030 /nfs/dbraw/zinc/65/30/30/1173653030.db2.gz KDEOJBWXFKOWAG-UHFFFAOYSA-N -1 3 295.324 1.655 20 5 CDBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1[O-] ZINC000750164104 576979623 /nfs/dbraw/zinc/97/96/23/576979623.db2.gz DYKFWMIQANNPKD-UHFFFAOYSA-N -1 3 295.226 1.493 20 5 CDBDHM C[C@]1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1 ZINC000824836707 607905357 /nfs/dbraw/zinc/90/53/57/607905357.db2.gz BPDJUCYQOKTTEH-LBPRGKRZSA-N -1 3 290.283 1.366 20 5 CDBDHM C[C@]1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1 ZINC000824836707 607905358 /nfs/dbraw/zinc/90/53/58/607905358.db2.gz BPDJUCYQOKTTEH-LBPRGKRZSA-N -1 3 290.283 1.366 20 5 CDBDHM Cc1nc2c(s1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000894907001 619137872 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C[C@@H]1[C@@H](C)CN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590313161 1173350141 /nfs/dbraw/zinc/35/01/41/1173350141.db2.gz LOXFJMQEUHFDJN-NKWVEPMBSA-N -1 3 292.274 1.759 20 5 CDBDHM C[C@@H]1C[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591753079 1173694942 /nfs/dbraw/zinc/69/49/42/1173694942.db2.gz DFLSAQVDKILLRF-HTRCEHHLSA-N -1 3 260.257 1.595 20 5 CDBDHM C[C@@H]1C[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591753079 1173694954 /nfs/dbraw/zinc/69/49/54/1173694954.db2.gz DFLSAQVDKILLRF-HTRCEHHLSA-N -1 3 260.257 1.595 20 5 CDBDHM C[C@@]1(O)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591777310 1173698404 /nfs/dbraw/zinc/69/84/04/1173698404.db2.gz IJZOQHSJLHDORJ-OGXFKERWSA-N -1 3 290.283 1.100 20 5 CDBDHM C[C@@]1(O)C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591777310 1173698408 /nfs/dbraw/zinc/69/84/08/1173698408.db2.gz IJZOQHSJLHDORJ-OGXFKERWSA-N -1 3 290.283 1.100 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cn[nH]c1 ZINC001593469713 1174080022 /nfs/dbraw/zinc/08/00/22/1174080022.db2.gz CTNBRJGTHNFFPK-UHFFFAOYSA-N -1 3 272.228 1.242 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cn[nH]c1 ZINC001593469713 1174080030 /nfs/dbraw/zinc/08/00/30/1174080030.db2.gz CTNBRJGTHNFFPK-UHFFFAOYSA-N -1 3 272.228 1.242 20 5 CDBDHM O=[N+]([O-])c1ncccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC001593487810 1174085725 /nfs/dbraw/zinc/08/57/25/1174085725.db2.gz MMIQDOQEMCVEAR-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ncccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC001593487810 1174085732 /nfs/dbraw/zinc/08/57/32/1174085732.db2.gz MMIQDOQEMCVEAR-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM Cc1oc(C(=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001600829513 1174634681 /nfs/dbraw/zinc/63/46/81/1174634681.db2.gz KVYIVNVGDHNYMY-YFKPBYRVSA-N -1 3 257.198 1.108 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@@H](CO)C2CCC2)c1 ZINC001602404331 1175232084 /nfs/dbraw/zinc/23/20/84/1175232084.db2.gz VHSHWUMUKZTYGW-LBPRGKRZSA-N -1 3 294.307 1.544 20 5 CDBDHM COC(=O)c1n[nH]cc1[N-]c1c(Cl)nccc1[N+](=O)[O-] ZINC001169572257 928191164 /nfs/dbraw/zinc/19/11/64/928191164.db2.gz REHPGIXTLBSOCT-UHFFFAOYSA-N -1 3 297.658 1.897 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001158770506 938662258 /nfs/dbraw/zinc/66/22/58/938662258.db2.gz DUHYEDWQOHESSN-UHFFFAOYSA-N -1 3 291.223 1.611 20 5 CDBDHM Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1ncccc1[O-] ZINC001158774540 938662835 /nfs/dbraw/zinc/66/28/35/938662835.db2.gz MUSQRQYTNJCISE-UHFFFAOYSA-N -1 3 276.252 1.249 20 5 CDBDHM Cc1c(F)cc([N+](=O)[O-])cc1NCCCc1c[n-][nH]c1=O ZINC001164409265 939471821 /nfs/dbraw/zinc/47/18/21/939471821.db2.gz WRYJCWVPDUQAPQ-VIFPVBQESA-N -1 3 294.286 1.966 20 5 CDBDHM Cc1ccc(Nc2c(N)[nH]c(=O)[n-]c2=O)cc1[N+](=O)[O-] ZINC001213661437 940782451 /nfs/dbraw/zinc/78/24/51/940782451.db2.gz HAXORJUTNXXCPA-UHFFFAOYSA-N -1 3 277.240 1.430 20 5 CDBDHM O=c1cc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc[n-]1 ZINC001226946516 942100132 /nfs/dbraw/zinc/10/01/32/942100132.db2.gz JFHBBMGCVGVKJF-NSHDSACASA-N -1 3 273.248 1.637 20 5 CDBDHM CN1CCC(Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001231222153 942821793 /nfs/dbraw/zinc/82/17/93/942821793.db2.gz XTHVOTDJPCNAOV-UHFFFAOYSA-N -1 3 297.267 1.682 20 5 CDBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCCN(C)C2)[n-]1 ZINC001231261251 942838530 /nfs/dbraw/zinc/83/85/30/942838530.db2.gz ZUGJSIXLSZUNDC-SECBINFHSA-N -1 3 267.285 1.477 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCCN(C)C2)n1 ZINC001231261251 942838536 /nfs/dbraw/zinc/83/85/36/942838536.db2.gz ZUGJSIXLSZUNDC-SECBINFHSA-N -1 3 267.285 1.477 20 5 CDBDHM O=C1OCC[C@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233498227 943601874 /nfs/dbraw/zinc/60/18/74/943601874.db2.gz KQRULCOSBUDKLQ-SECBINFHSA-N -1 3 297.654 1.819 20 5 CDBDHM CCOC(=O)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596166457 343257690 /nfs/dbraw/zinc/25/76/90/343257690.db2.gz UBRLWPSSMCFRII-UHFFFAOYSA-N -1 3 269.257 1.085 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)N1C ZINC000596247907 343273800 /nfs/dbraw/zinc/27/38/00/343273800.db2.gz TUFQHDWWMKODPW-DTORHVGOSA-N -1 3 266.301 1.224 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccncc1[O-] ZINC000109891495 358476371 /nfs/dbraw/zinc/47/63/71/358476371.db2.gz IACLUUJGJYIUOV-UHFFFAOYSA-N -1 3 291.267 1.229 20 5 CDBDHM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000119057175 357244544 /nfs/dbraw/zinc/24/45/44/357244544.db2.gz LCEUUSFTFSLKSJ-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000186741964 357682618 /nfs/dbraw/zinc/68/26/18/357682618.db2.gz CVMPXJQSRDJGDJ-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCC1 ZINC000220942038 359334776 /nfs/dbraw/zinc/33/47/76/359334776.db2.gz IHQDUYJEAGVOMQ-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1F ZINC000436747031 359698094 /nfs/dbraw/zinc/69/80/94/359698094.db2.gz JLLQTUUXLRKOMT-UHFFFAOYSA-N -1 3 280.215 1.425 20 5 CDBDHM COC(=O)c1cc([N-]c2ncc([N+](=O)[O-])c(C)n2)cn1C ZINC000297392098 200173424 /nfs/dbraw/zinc/17/34/24/200173424.db2.gz FCHGOJYLIQTZFC-UHFFFAOYSA-N -1 3 291.267 1.562 20 5 CDBDHM COC[C@](C)(NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000053197986 361193330 /nfs/dbraw/zinc/19/33/30/361193330.db2.gz FDRVTZYELFZEHK-LBPRGKRZSA-N -1 3 268.269 1.174 20 5 CDBDHM COc1cc(CN[C@@H]2CCSC2)c([N+](=O)[O-])cc1[O-] ZINC000271972784 367045540 /nfs/dbraw/zinc/04/55/40/367045540.db2.gz WYNMFHBNWMOQLB-SECBINFHSA-N -1 3 284.337 1.904 20 5 CDBDHM CC(C)O[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000295552092 370475005 /nfs/dbraw/zinc/47/50/05/370475005.db2.gz LXSRSEBICFXKSR-UHFFFAOYSA-N -1 3 269.213 1.573 20 5 CDBDHM O=C(CNCC1CC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423750692 246026986 /nfs/dbraw/zinc/02/69/86/246026986.db2.gz YBAXCXDNORGCAX-UHFFFAOYSA-N -1 3 299.714 1.892 20 5 CDBDHM CSCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000279825128 374965323 /nfs/dbraw/zinc/96/53/23/374965323.db2.gz APXUUZDLHHTTBC-UHFFFAOYSA-N -1 3 270.310 1.548 20 5 CDBDHM Cc1nc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])sc1C ZINC000299443434 375171572 /nfs/dbraw/zinc/17/15/72/375171572.db2.gz LPARTXABEMQAJY-UHFFFAOYSA-N -1 3 281.297 1.952 20 5 CDBDHM C[C@@H]1[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCCN1C ZINC000354621750 375733675 /nfs/dbraw/zinc/73/36/75/375733675.db2.gz YTJHRKMULTZRHW-SKDRFNHKSA-N -1 3 293.323 1.513 20 5 CDBDHM Cn1cnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000356448174 375845755 /nfs/dbraw/zinc/84/57/55/375845755.db2.gz WSNWVVSGXBDVDF-UHFFFAOYSA-N -1 3 281.659 1.629 20 5 CDBDHM Cc1c(CN=c2ncnc3[nH][n-]cc2-3)cccc1[N+](=O)[O-] ZINC000357856157 375937973 /nfs/dbraw/zinc/93/79/73/375937973.db2.gz JXGAMEALWKNUHS-UHFFFAOYSA-N -1 3 284.279 1.555 20 5 CDBDHM Cc1nnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1C ZINC000345365371 378226529 /nfs/dbraw/zinc/22/65/29/378226529.db2.gz ANSDNWKCPAKRJB-UHFFFAOYSA-N -1 3 295.686 1.937 20 5 CDBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)c([O-])c1 ZINC000442706489 392464968 /nfs/dbraw/zinc/46/49/68/392464968.db2.gz ZNGDIFHVJZHGTE-UHFFFAOYSA-N -1 3 292.251 1.295 20 5 CDBDHM CC(C)(C)c1cc([N-]C(=O)Cn2nccc2[N+](=O)[O-])on1 ZINC000175744659 148007004 /nfs/dbraw/zinc/00/70/04/148007004.db2.gz CFGHCBUMDLYTIJ-UHFFFAOYSA-N -1 3 293.283 1.716 20 5 CDBDHM CN(C[C@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000217315947 260376923 /nfs/dbraw/zinc/37/69/23/260376923.db2.gz SWOHFPRVWMJTJP-SNVBAGLBSA-N -1 3 293.323 1.467 20 5 CDBDHM CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590384257 1173384517 /nfs/dbraw/zinc/38/45/17/1173384517.db2.gz LMTWLRKDQHUOLI-GFCCVEGCSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590384257 1173384523 /nfs/dbraw/zinc/38/45/23/1173384523.db2.gz LMTWLRKDQHUOLI-GFCCVEGCSA-N -1 3 292.299 1.348 20 5 CDBDHM O=C(CNC1CC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563092611 293270563 /nfs/dbraw/zinc/27/05/63/293270563.db2.gz HAXDOSJDJYGAQW-UHFFFAOYSA-N -1 3 285.687 1.644 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ncccc1[N+](=O)[O-])CC2 ZINC000357841186 304811253 /nfs/dbraw/zinc/81/12/53/304811253.db2.gz PSKJTMVEDUHSJW-UHFFFAOYSA-N -1 3 273.252 1.048 20 5 CDBDHM COCCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591421909 1173652625 /nfs/dbraw/zinc/65/26/25/1173652625.db2.gz LARGQFXNLVVLNW-UHFFFAOYSA-N -1 3 292.299 1.166 20 5 CDBDHM COCCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591421909 1173652628 /nfs/dbraw/zinc/65/26/28/1173652628.db2.gz LARGQFXNLVVLNW-UHFFFAOYSA-N -1 3 292.299 1.166 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350582995 316182576 /nfs/dbraw/zinc/18/25/76/316182576.db2.gz QLCQEORZXOAXNC-UHFFFAOYSA-N -1 3 287.235 1.751 20 5 CDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])[N-]OCC(F)F ZINC000760151866 576462345 /nfs/dbraw/zinc/46/23/45/576462345.db2.gz WDLLYUFGUWBROP-UHFFFAOYSA-N -1 3 290.222 1.677 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCSC1 ZINC000823629835 599078711 /nfs/dbraw/zinc/07/87/11/599078711.db2.gz JDPWRMYFURQXOM-MRVPVSSYSA-N -1 3 292.324 1.692 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCSC1 ZINC000823629835 599078712 /nfs/dbraw/zinc/07/87/12/599078712.db2.gz JDPWRMYFURQXOM-MRVPVSSYSA-N -1 3 292.324 1.692 20 5 CDBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826335093 609500401 /nfs/dbraw/zinc/50/04/01/609500401.db2.gz XZNQHQMBLHTNQJ-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826335093 609500403 /nfs/dbraw/zinc/50/04/03/609500403.db2.gz XZNQHQMBLHTNQJ-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCCC1CC1 ZINC000817446527 694835566 /nfs/dbraw/zinc/83/55/66/694835566.db2.gz QAPNRFSAIAYDFO-UHFFFAOYSA-N -1 3 264.281 1.985 20 5 CDBDHM Cc1c(CC(=O)[N-]OCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000798129444 695067969 /nfs/dbraw/zinc/06/79/69/695067969.db2.gz XSVKIXMZFXCMKF-UHFFFAOYSA-N -1 3 282.296 1.264 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590221071 1173299785 /nfs/dbraw/zinc/29/97/85/1173299785.db2.gz QIMCKQVKCHKZFE-IONNQARKSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590221071 1173299791 /nfs/dbraw/zinc/29/97/91/1173299791.db2.gz QIMCKQVKCHKZFE-IONNQARKSA-N -1 3 274.284 1.843 20 5 CDBDHM CN(CCCF)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591067120 1173572172 /nfs/dbraw/zinc/57/21/72/1173572172.db2.gz ZZUWUYDSKWNAHX-UHFFFAOYSA-N -1 3 280.263 1.571 20 5 CDBDHM CN(CCCF)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591067120 1173572175 /nfs/dbraw/zinc/57/21/75/1173572175.db2.gz ZZUWUYDSKWNAHX-UHFFFAOYSA-N -1 3 280.263 1.571 20 5 CDBDHM C[C@H](O)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603697584 1175601804 /nfs/dbraw/zinc/60/18/04/1175601804.db2.gz ZUIWGMNMJKTNQM-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@H](O)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603697584 1175601808 /nfs/dbraw/zinc/60/18/08/1175601808.db2.gz ZUIWGMNMJKTNQM-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001120809195 912547785 /nfs/dbraw/zinc/54/77/85/912547785.db2.gz LCFBLTNHNVWWBJ-NSHDSACASA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(N)=O)nn1C ZINC001199814569 925876210 /nfs/dbraw/zinc/87/62/10/925876210.db2.gz KXVUSIGYAMOTDM-UHFFFAOYSA-N -1 3 291.267 1.185 20 5 CDBDHM O=C([N-]Cc1ncc[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778270059 933982038 /nfs/dbraw/zinc/98/20/38/933982038.db2.gz QSWXEGWYYHMIRX-UHFFFAOYSA-N -1 3 296.233 1.726 20 5 CDBDHM Cc1ncc([N+](=O)[O-])c(NCc2ncccc2[O-])n1 ZINC001158774263 938662815 /nfs/dbraw/zinc/66/28/15/938662815.db2.gz JEEUNDSGEGRLMC-UHFFFAOYSA-N -1 3 261.241 1.406 20 5 CDBDHM CC(COC(=O)CCc1ccc(C(=O)[O-])cc1)[N+](=O)[O-] ZINC001592765480 979372011 /nfs/dbraw/zinc/37/20/11/979372011.db2.gz VINHXUHWMVBKFW-SECBINFHSA-N -1 3 281.264 1.526 20 5 CDBDHM COCCCN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605088378 1163446841 /nfs/dbraw/zinc/44/68/41/1163446841.db2.gz YLQBFRFEMZCERG-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM COCCCN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605088378 1163446842 /nfs/dbraw/zinc/44/68/42/1163446842.db2.gz YLQBFRFEMZCERG-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM Cn1nc([N-]c2cccnc2[N+](=O)[O-])cc1C1CC1 ZINC000589603281 342509445 /nfs/dbraw/zinc/50/94/45/342509445.db2.gz SGBPNZRCQVRPSL-UHFFFAOYSA-N -1 3 259.269 1.766 20 5 CDBDHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000596116166 343231828 /nfs/dbraw/zinc/23/18/28/343231828.db2.gz ZALWARPBSCTKLB-ZJUUUORDSA-N -1 3 296.327 1.217 20 5 CDBDHM CC(C)(C)C[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596131517 343238653 /nfs/dbraw/zinc/23/86/53/343238653.db2.gz OBPLVWCJUGJDBS-QMMMGPOBSA-N -1 3 269.301 1.904 20 5 CDBDHM CN(CCc1cnccn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596182129 343250317 /nfs/dbraw/zinc/25/03/17/343250317.db2.gz OIOIBUBIDZFZCM-UHFFFAOYSA-N -1 3 275.268 1.164 20 5 CDBDHM COC[C@@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596194213 343254151 /nfs/dbraw/zinc/25/41/51/343254151.db2.gz JUSILKHOWBDYJI-SNVBAGLBSA-N -1 3 281.312 1.948 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](n3ccnn3)C2)c1[N+](=O)[O-] ZINC000596280438 343287030 /nfs/dbraw/zinc/28/70/30/343287030.db2.gz FEGAGWHMGZBEOC-VIFPVBQESA-N -1 3 290.283 1.128 20 5 CDBDHM Cc1noc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596296014 343290776 /nfs/dbraw/zinc/29/07/76/343290776.db2.gz DADIVLRLFNRMDF-UHFFFAOYSA-N -1 3 265.229 1.023 20 5 CDBDHM CCCN1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000598343442 343771421 /nfs/dbraw/zinc/77/14/21/343771421.db2.gz VGMYZOZMWCGEQL-NSHDSACASA-N -1 3 293.323 1.515 20 5 CDBDHM CSCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000128712205 187386342 /nfs/dbraw/zinc/38/63/42/187386342.db2.gz WNHKHCLISKLGGM-UHFFFAOYSA-N -1 3 290.366 1.626 20 5 CDBDHM O=C([N-]c1cccc2c[nH]nc21)c1n[nH]cc1[N+](=O)[O-] ZINC000159675356 363176930 /nfs/dbraw/zinc/17/69/30/363176930.db2.gz KEPBYRUDPWBYJV-UHFFFAOYSA-N -1 3 272.224 1.447 20 5 CDBDHM Cc1nc([C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000286356308 356265530 /nfs/dbraw/zinc/26/55/30/356265530.db2.gz LTHSUTLHKOJLPR-ZCFIWIBFSA-N -1 3 291.267 1.218 20 5 CDBDHM CC[C@@H](CO)NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000186528340 357659383 /nfs/dbraw/zinc/65/93/83/357659383.db2.gz GRMCTBHIRZCIOM-VIFPVBQESA-N -1 3 270.285 1.170 20 5 CDBDHM CC(C)OCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000186585137 357666036 /nfs/dbraw/zinc/66/60/36/357666036.db2.gz QALHMZBRLYJOJW-UHFFFAOYSA-N -1 3 288.325 1.298 20 5 CDBDHM CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130346479 359762084 /nfs/dbraw/zinc/76/20/84/359762084.db2.gz FUGAEIVLSCWYBY-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1O ZINC000160669747 370728690 /nfs/dbraw/zinc/72/86/90/370728690.db2.gz PAEBTZDEXXSXNM-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM CN(CCCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000042717238 364614294 /nfs/dbraw/zinc/61/42/94/364614294.db2.gz ULWJPNBHHJCSKD-UHFFFAOYSA-N -1 3 252.270 1.891 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000416645741 242085587 /nfs/dbraw/zinc/08/55/87/242085587.db2.gz KGPSSRVEQGFCAJ-JTQLQIEISA-N -1 3 296.348 1.982 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000129841479 369687327 /nfs/dbraw/zinc/68/73/27/369687327.db2.gz NIUSNIWITWWQIT-ZETCQYMHSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000129841479 369687328 /nfs/dbraw/zinc/68/73/28/369687328.db2.gz NIUSNIWITWWQIT-ZETCQYMHSA-N -1 3 277.288 1.051 20 5 CDBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc2n(n1)CCO2 ZINC000368259189 372022406 /nfs/dbraw/zinc/02/24/06/372022406.db2.gz JDIKIYNZIFODLR-UHFFFAOYSA-N -1 3 292.226 1.575 20 5 CDBDHM CC(=O)[N-]OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000299630131 375189884 /nfs/dbraw/zinc/18/98/84/375189884.db2.gz WAMRYOGUHWMUHB-UHFFFAOYSA-N -1 3 268.225 1.029 20 5 CDBDHM O=C(Nc1ccccc1O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028814206 375327447 /nfs/dbraw/zinc/32/74/47/375327447.db2.gz MWJKDFMTXALGSJ-UHFFFAOYSA-N -1 3 275.220 1.241 20 5 CDBDHM COc1cc([O-])cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000354634509 375734859 /nfs/dbraw/zinc/73/48/59/375734859.db2.gz NZGMPGKICVXYRO-UHFFFAOYSA-N -1 3 278.224 1.284 20 5 CDBDHM C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCN1C ZINC000345325922 377935793 /nfs/dbraw/zinc/93/57/93/377935793.db2.gz SCAOVWJEZIKNHP-ONGXEEELSA-N -1 3 293.323 1.513 20 5 CDBDHM CCC[C@@](C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000233314335 140225798 /nfs/dbraw/zinc/22/57/98/140225798.db2.gz HNHOMNQPUZSJQX-GFCCVEGCSA-N -1 3 267.285 1.756 20 5 CDBDHM Cc1cccc([O-])c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000179562679 148122191 /nfs/dbraw/zinc/12/21/91/148122191.db2.gz OXFCKKNVFLHWPR-UHFFFAOYSA-N -1 3 290.279 1.834 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000356196373 157392350 /nfs/dbraw/zinc/39/23/50/157392350.db2.gz APHYXFLOGSVEQF-UHFFFAOYSA-N -1 3 291.267 1.467 20 5 CDBDHM COc1cnc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000570413850 294235553 /nfs/dbraw/zinc/23/55/53/294235553.db2.gz FOAKXZMJOLADHJ-UHFFFAOYSA-N -1 3 283.269 1.344 20 5 CDBDHM CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C[C@@H]21 ZINC000575049880 295092475 /nfs/dbraw/zinc/09/24/75/295092475.db2.gz SEDKSRHMPDJUCC-RNCFNFMXSA-N -1 3 291.307 1.433 20 5 CDBDHM CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000167426713 528034557 /nfs/dbraw/zinc/03/45/57/528034557.db2.gz JPWUDLXMEPWIAD-UHFFFAOYSA-N -1 3 270.310 1.816 20 5 CDBDHM CC[C@H](C)[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000234022254 535850207 /nfs/dbraw/zinc/85/02/07/535850207.db2.gz BPJZYJZNPHHJPW-WRWORJQWSA-N -1 3 267.285 1.612 20 5 CDBDHM CSCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737180509 575896455 /nfs/dbraw/zinc/89/64/55/575896455.db2.gz AGKVSPDCTHEOIP-UHFFFAOYSA-N -1 3 294.340 1.940 20 5 CDBDHM CSCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737180509 575896457 /nfs/dbraw/zinc/89/64/57/575896457.db2.gz AGKVSPDCTHEOIP-UHFFFAOYSA-N -1 3 294.340 1.940 20 5 CDBDHM CC[C@@H](C(=O)[O-])N(C)Cc1cccnc1[N+](=O)[O-] ZINC000903407965 625984777 /nfs/dbraw/zinc/98/47/77/625984777.db2.gz BQCXLNWFJHVDAT-VIFPVBQESA-N -1 3 253.258 1.285 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605152443 1163469120 /nfs/dbraw/zinc/46/91/20/1163469120.db2.gz JMRODKDUGIBZCS-PWSUYJOCSA-N -1 3 290.283 1.364 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605152443 1163469126 /nfs/dbraw/zinc/46/91/26/1163469126.db2.gz JMRODKDUGIBZCS-PWSUYJOCSA-N -1 3 290.283 1.364 20 5 CDBDHM CCC1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609203055 1164841276 /nfs/dbraw/zinc/84/12/76/1164841276.db2.gz VRGVGUWUIFYUNM-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CCC1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609203055 1164841281 /nfs/dbraw/zinc/84/12/81/1164841281.db2.gz VRGVGUWUIFYUNM-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM O=[N+]([O-])c1cnc(NC/C=C/C2CC2)c(-c2nnn[n-]2)c1 ZINC001609603657 1165001505 /nfs/dbraw/zinc/00/15/05/1165001505.db2.gz VKRKHKSZIDBOOJ-OWOJBTEDSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cnc(NC/C=C/C2CC2)c(-c2nn[n-]n2)c1 ZINC001609603657 1165001511 /nfs/dbraw/zinc/00/15/11/1165001511.db2.gz VKRKHKSZIDBOOJ-OWOJBTEDSA-N -1 3 287.283 1.548 20 5 CDBDHM C[C@@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590313166 1173352552 /nfs/dbraw/zinc/35/25/52/1173352552.db2.gz LOXFJMQEUHFDJN-RQJHMYQMSA-N -1 3 292.274 1.759 20 5 CDBDHM C[C@@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590313166 1173352559 /nfs/dbraw/zinc/35/25/59/1173352559.db2.gz LOXFJMQEUHFDJN-RQJHMYQMSA-N -1 3 292.274 1.759 20 5 CDBDHM Cc1cc(N2CCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592006969 1173771560 /nfs/dbraw/zinc/77/15/60/1173771560.db2.gz QRXPLCLWROREDX-UHFFFAOYSA-N -1 3 274.284 1.684 20 5 CDBDHM Cc1cc(N2CCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592006969 1173771565 /nfs/dbraw/zinc/77/15/65/1173771565.db2.gz QRXPLCLWROREDX-UHFFFAOYSA-N -1 3 274.284 1.684 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]1C(F)F ZINC001593469158 1174078062 /nfs/dbraw/zinc/07/80/62/1174078062.db2.gz YVMPIXROXUSDKF-MRVPVSSYSA-N -1 3 296.237 1.619 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]1C(F)F ZINC001593469158 1174078068 /nfs/dbraw/zinc/07/80/68/1174078068.db2.gz YVMPIXROXUSDKF-MRVPVSSYSA-N -1 3 296.237 1.619 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCCCC1 ZINC001593469272 1174079078 /nfs/dbraw/zinc/07/90/78/1174079078.db2.gz WSFDBUVWMOOEIW-UHFFFAOYSA-N -1 3 292.274 1.904 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCCCC1 ZINC001593469272 1174079081 /nfs/dbraw/zinc/07/90/81/1174079081.db2.gz WSFDBUVWMOOEIW-UHFFFAOYSA-N -1 3 292.274 1.904 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@H]1C=CCC1 ZINC001593471547 1174081692 /nfs/dbraw/zinc/08/16/92/1174081692.db2.gz SWTDDVLKWCPGQG-QMMMGPOBSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@H]1C=CCC1 ZINC001593471547 1174081697 /nfs/dbraw/zinc/08/16/97/1174081697.db2.gz SWTDDVLKWCPGQG-QMMMGPOBSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001593471335 1174083001 /nfs/dbraw/zinc/08/30/01/1174083001.db2.gz SKRWHBRIKRSFIN-GDGBQDQQSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001593471335 1174083004 /nfs/dbraw/zinc/08/30/04/1174083004.db2.gz SKRWHBRIKRSFIN-GDGBQDQQSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC2(CC2)C1 ZINC001593481179 1174085255 /nfs/dbraw/zinc/08/52/55/1174085255.db2.gz PIAMRUBGKLIDLE-UHFFFAOYSA-N -1 3 286.295 1.765 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC2(CC2)C1 ZINC001593481179 1174085260 /nfs/dbraw/zinc/08/52/60/1174085260.db2.gz PIAMRUBGKLIDLE-UHFFFAOYSA-N -1 3 286.295 1.765 20 5 CDBDHM CC1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603938970 1175691982 /nfs/dbraw/zinc/69/19/82/1175691982.db2.gz ICDRXSXQLCRFNL-UHFFFAOYSA-N -1 3 260.257 1.231 20 5 CDBDHM CC1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603938970 1175691984 /nfs/dbraw/zinc/69/19/84/1175691984.db2.gz ICDRXSXQLCRFNL-UHFFFAOYSA-N -1 3 260.257 1.231 20 5 CDBDHM COCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821687713 724781292 /nfs/dbraw/zinc/78/12/92/724781292.db2.gz LFILLCWQDLWSBH-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CF ZINC000885413716 725402461 /nfs/dbraw/zinc/40/24/61/725402461.db2.gz HALVDMSLOPKQTD-QMMMGPOBSA-N -1 3 276.289 1.540 20 5 CDBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC1(C)OCCO1 ZINC000716014528 725900285 /nfs/dbraw/zinc/90/02/85/725900285.db2.gz JNFADPCFNWBJFE-VIFPVBQESA-N -1 3 297.311 1.897 20 5 CDBDHM CCCOC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666116 903636904 /nfs/dbraw/zinc/63/69/04/903636904.db2.gz GKCUVSPAZQICTP-MRVPVSSYSA-N -1 3 256.258 1.889 20 5 CDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC=CC1 ZINC001093563293 910014787 /nfs/dbraw/zinc/01/47/87/910014787.db2.gz GIRWZQSFHHADOB-UHFFFAOYSA-N -1 3 292.295 1.190 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156277879 927893443 /nfs/dbraw/zinc/89/34/43/927893443.db2.gz CARPYFYVDITEAE-SSDOTTSWSA-N -1 3 297.702 1.567 20 5 CDBDHM Cc1ncc(Nc2nc(Cl)c(C)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297937 938973356 /nfs/dbraw/zinc/97/33/56/938973356.db2.gz KLHBYNAUESKIMK-SSDOTTSWSA-N -1 3 295.686 1.762 20 5 CDBDHM Cc1ccnc(Nc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC001162298533 938973806 /nfs/dbraw/zinc/97/38/06/938973806.db2.gz RTZQPTGKPQXCEC-QMMMGPOBSA-N -1 3 261.241 1.108 20 5 CDBDHM O=[N+]([O-])c1ccc(Nc2ncc(F)cc2[O-])cn1 ZINC001203568807 939693937 /nfs/dbraw/zinc/69/39/37/939693937.db2.gz HANRPHXABHHQSU-UHFFFAOYSA-N -1 3 250.189 1.973 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1O[C@@H]1CN2CCC1CC2 ZINC001225491715 941869403 /nfs/dbraw/zinc/86/94/03/941869403.db2.gz SGHWGNKGONVWHP-CYBMUJFWSA-N -1 3 264.281 1.773 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1COc2cnccc21 ZINC001225664684 941896098 /nfs/dbraw/zinc/89/60/98/941896098.db2.gz RGPIZZDPCHQHQS-SNVBAGLBSA-N -1 3 275.220 1.603 20 5 CDBDHM CC(C)OC(=O)COc1c([O-])cccc1[N+](=O)[O-] ZINC001226333734 941988770 /nfs/dbraw/zinc/98/87/70/941988770.db2.gz NLDBFBCPTXRWAI-UHFFFAOYSA-N -1 3 255.226 1.631 20 5 CDBDHM O=C1CC[C@@H](COc2nc3ccc([N+](=O)[O-])cc3[n-]2)O1 ZINC001227746059 942217938 /nfs/dbraw/zinc/21/79/38/942217938.db2.gz PPTBVCMQLDUBOL-QMMMGPOBSA-N -1 3 277.236 1.556 20 5 CDBDHM O=C1CC[C@@H](COc2nc3cc([N+](=O)[O-])ccc3[n-]2)O1 ZINC001227746059 942217943 /nfs/dbraw/zinc/21/79/43/942217943.db2.gz PPTBVCMQLDUBOL-QMMMGPOBSA-N -1 3 277.236 1.556 20 5 CDBDHM COC(C[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])OC ZINC001228689696 942358607 /nfs/dbraw/zinc/35/86/07/942358607.db2.gz WPRUHVXULLOQHY-SSDOTTSWSA-N -1 3 286.284 1.780 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H]3OCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001327687286 954999748 /nfs/dbraw/zinc/99/97/48/954999748.db2.gz GEGWLAURZSJRSP-GXSJLCMTSA-N -1 3 279.296 1.701 20 5 CDBDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001321694031 961003442 /nfs/dbraw/zinc/00/34/42/961003442.db2.gz MLUKUKICQOOFON-ZCFIWIBFSA-N -1 3 290.222 1.759 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000158192071 342278059 /nfs/dbraw/zinc/27/80/59/342278059.db2.gz YAYMJJTZPDCTGY-SCZZXKLOSA-N -1 3 294.311 1.583 20 5 CDBDHM C[C@H](CN1CCCC1=O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596085952 343219993 /nfs/dbraw/zinc/21/99/93/343219993.db2.gz QGZVPDAEHCPMOS-MRVPVSSYSA-N -1 3 280.284 1.118 20 5 CDBDHM NC(=O)CC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596103098 343227754 /nfs/dbraw/zinc/22/77/54/343227754.db2.gz CUVRBNXAKYYOLF-SECBINFHSA-N -1 3 294.311 1.177 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000596157303 343254703 /nfs/dbraw/zinc/25/47/03/343254703.db2.gz SOAJLZPFJLRGLJ-GFCCVEGCSA-N -1 3 265.269 1.312 20 5 CDBDHM CN(C)c1ncc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1C ZINC000596126681 343237365 /nfs/dbraw/zinc/23/73/65/343237365.db2.gz PFLJIKNTZZEXJP-UHFFFAOYSA-N -1 3 292.299 1.107 20 5 CDBDHM CCc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])on1 ZINC000596146911 343244086 /nfs/dbraw/zinc/24/40/86/343244086.db2.gz ULIMCFBLWZQMKD-UHFFFAOYSA-N -1 3 264.241 1.858 20 5 CDBDHM O=c1[n-]ccc(N2CCOC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596241381 343284679 /nfs/dbraw/zinc/28/46/79/343284679.db2.gz RLVWVQOCTWSNDX-LLVKDONJSA-N -1 3 293.323 1.948 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000596220811 343270364 /nfs/dbraw/zinc/27/03/64/343270364.db2.gz BRJAMRDUVOQMMJ-KCJUWKMLSA-N -1 3 279.296 1.699 20 5 CDBDHM CCCN1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000598343441 343771440 /nfs/dbraw/zinc/77/14/40/343771440.db2.gz VGMYZOZMWCGEQL-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000536645721 282336486 /nfs/dbraw/zinc/33/64/86/282336486.db2.gz PWAWXFXFRDUSJP-LLVKDONJSA-N -1 3 276.296 1.827 20 5 CDBDHM 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O=c1[n-]ccc(N2CCC(CCO)CC2)c1[N+](=O)[O-] ZINC000596117254 343232388 /nfs/dbraw/zinc/23/23/88/343232388.db2.gz YWQYBECSLSDPPY-UHFFFAOYSA-N -1 3 267.285 1.294 20 5 CDBDHM CCC(=O)N[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596096993 343235605 /nfs/dbraw/zinc/23/56/05/343235605.db2.gz BKXZLUWBYXNCLZ-VIFPVBQESA-N -1 3 294.311 1.190 20 5 CDBDHM CCOC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596125888 343237339 /nfs/dbraw/zinc/23/73/39/343237339.db2.gz FDDGSPTXFOZPGY-JTQLQIEISA-N -1 3 281.312 1.948 20 5 CDBDHM O=c1[n-]ccc(N2CCC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000596145087 343243203 /nfs/dbraw/zinc/24/32/03/343243203.db2.gz QNWLMNXPNQOASG-UHFFFAOYSA-N -1 3 279.296 1.702 20 5 CDBDHM CC[C@H](O)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147091 343244003 /nfs/dbraw/zinc/24/40/03/343244003.db2.gz SEICKMYAKPCDON-QMMMGPOBSA-N -1 3 255.274 1.658 20 5 CDBDHM C[C@@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182769 343250793 /nfs/dbraw/zinc/25/07/93/343250793.db2.gz RTZWQHSQBINJFX-RKDXNWHRSA-N -1 3 267.285 1.922 20 5 CDBDHM CCCc1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000127154312 187286133 /nfs/dbraw/zinc/28/61/33/187286133.db2.gz VPGNTCHJMVCXOF-UHFFFAOYSA-N -1 3 281.297 1.979 20 5 CDBDHM COc1ccc([N-]C(=O)c2cocn2)c([N+](=O)[O-])c1 ZINC000105364916 346624670 /nfs/dbraw/zinc/62/46/70/346624670.db2.gz QVAKEHDXQVEMOJ-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cnco1 ZINC000611158133 346625120 /nfs/dbraw/zinc/62/51/20/346625120.db2.gz NNFFPVMVRHYFGB-UHFFFAOYSA-N -1 3 273.208 1.133 20 5 CDBDHM CSC[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000076302750 357978659 /nfs/dbraw/zinc/97/86/59/357978659.db2.gz HADLZMLEGQEHKO-QMMMGPOBSA-N -1 3 290.366 1.625 20 5 CDBDHM CN1CC[C@@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408470128 359820127 /nfs/dbraw/zinc/82/01/27/359820127.db2.gz UEHIESCDVKJWPX-RNCFNFMXSA-N -1 3 291.307 1.077 20 5 CDBDHM CC(C)CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596200869 360832445 /nfs/dbraw/zinc/83/24/45/360832445.db2.gz OYWHNRZVZCWDJX-UHFFFAOYSA-N -1 3 294.311 1.000 20 5 CDBDHM Cc1nn(C)c(C(=O)Nc2cc(C)ccc2[O-])c1[N+](=O)[O-] ZINC000179604719 238466146 /nfs/dbraw/zinc/46/61/46/238466146.db2.gz IJDAXYIUYPETSG-UHFFFAOYSA-N -1 3 290.279 1.903 20 5 CDBDHM C[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272308487 367676891 /nfs/dbraw/zinc/67/68/91/367676891.db2.gz HVWDUDQCSAHTMD-ZETCQYMHSA-N -1 3 274.223 1.184 20 5 CDBDHM COc1c(C(=O)Nc2ncccc2[O-])cccc1[N+](=O)[O-] ZINC000356735723 373040813 /nfs/dbraw/zinc/04/08/13/373040813.db2.gz YNPFLPKZEIVGLA-UHFFFAOYSA-N -1 3 289.247 1.956 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)F ZINC000298710669 373805649 /nfs/dbraw/zinc/80/56/49/373805649.db2.gz VTQXNPXFSNOFQG-UHFFFAOYSA-N -1 3 298.242 1.744 20 5 CDBDHM Cc1ccc(CNC2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000283778682 375124478 /nfs/dbraw/zinc/12/44/78/375124478.db2.gz CZURRXSYLHTWRH-UHFFFAOYSA-N -1 3 250.254 1.610 20 5 CDBDHM COCCn1cc([N-]c2nc(C)ccc2[N+](=O)[O-])cn1 ZINC000162725597 375499766 /nfs/dbraw/zinc/49/97/66/375499766.db2.gz HNGYGHSMGNWHMP-UHFFFAOYSA-N -1 3 277.284 1.885 20 5 CDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC000544024725 378861255 /nfs/dbraw/zinc/86/12/55/378861255.db2.gz LAPQTCMDHWQQAU-UHFFFAOYSA-N -1 3 262.225 1.286 20 5 CDBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)F ZINC000173809172 379284329 /nfs/dbraw/zinc/28/43/29/379284329.db2.gz VRTGKLMMUIYVHR-UHFFFAOYSA-N -1 3 294.279 1.701 20 5 CDBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c([O-])c1 ZINC000442698759 392461117 /nfs/dbraw/zinc/46/11/17/392461117.db2.gz HIVDZQHKCBOOMI-UHFFFAOYSA-N -1 3 277.236 1.889 20 5 CDBDHM COCc1ncc(C(=O)[N-]c2c([N+](=O)[O-])cnn2C)s1 ZINC000343748559 152289683 /nfs/dbraw/zinc/28/96/83/152289683.db2.gz KZQCNMDDPMETHP-UHFFFAOYSA-N -1 3 297.296 1.184 20 5 CDBDHM Cc1cc([N-]C(=O)Cn2c(C)ncc2[N+](=O)[O-])on1 ZINC000346609591 153243379 /nfs/dbraw/zinc/24/33/79/153243379.db2.gz NWLKPCKBTTYXPU-UHFFFAOYSA-N -1 3 265.229 1.035 20 5 CDBDHM CC(=O)Nc1ccncc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000362819964 159245284 /nfs/dbraw/zinc/24/52/84/159245284.db2.gz IYGMWANOWKKKIQ-UHFFFAOYSA-N -1 3 290.235 1.215 20 5 CDBDHM CCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC000155816129 289251536 /nfs/dbraw/zinc/25/15/36/289251536.db2.gz DEXBRGNFUCGBIN-UHFFFAOYSA-N -1 3 291.267 1.542 20 5 CDBDHM CN(CCN(C)C1CC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000577614954 317366521 /nfs/dbraw/zinc/36/65/21/317366521.db2.gz ZZRACXJLRXLTJG-UHFFFAOYSA-N -1 3 293.323 1.823 20 5 CDBDHM CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184765510 323372898 /nfs/dbraw/zinc/37/28/98/323372898.db2.gz CXYJUIDAAJUFBT-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1C(=O)[O-] ZINC001600365773 1174454579 /nfs/dbraw/zinc/45/45/79/1174454579.db2.gz ROFZZKNLVRJRIE-QMMMGPOBSA-N -1 3 267.237 1.515 20 5 CDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(C3CC3)CC2)cs1 ZINC000768858647 576314269 /nfs/dbraw/zinc/31/42/69/576314269.db2.gz RDRSIDVWDKMSIH-UHFFFAOYSA-N -1 3 288.350 1.877 20 5 CDBDHM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768885761 576316027 /nfs/dbraw/zinc/31/60/27/576316027.db2.gz BXEMJARPNSRHQE-NKWVEPMBSA-N -1 3 294.354 1.094 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN[C@H](CO)C2CCC2)c1 ZINC001602404330 1175232258 /nfs/dbraw/zinc/23/22/58/1175232258.db2.gz VHSHWUMUKZTYGW-GFCCVEGCSA-N -1 3 294.307 1.544 20 5 CDBDHM C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000049964227 597815978 /nfs/dbraw/zinc/81/59/78/597815978.db2.gz JQZVIVSQRQEBOJ-ZCFIWIBFSA-N -1 3 258.661 1.811 20 5 CDBDHM COc1ccc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000227150861 601540494 /nfs/dbraw/zinc/54/04/94/601540494.db2.gz WIXTXSYJOZJHMG-GXSJLCMTSA-N -1 3 294.307 1.756 20 5 CDBDHM CC[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820933249 606879610 /nfs/dbraw/zinc/87/96/10/606879610.db2.gz TYQRYRGRKHSKMG-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820933249 606879611 /nfs/dbraw/zinc/87/96/11/606879611.db2.gz TYQRYRGRKHSKMG-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457401 609407231 /nfs/dbraw/zinc/40/72/31/609407231.db2.gz ZSZIAAYBMDOBRC-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457401 609407232 /nfs/dbraw/zinc/40/72/32/609407232.db2.gz ZSZIAAYBMDOBRC-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001607080911 1164072109 /nfs/dbraw/zinc/07/21/09/1164072109.db2.gz UIVURVRHBGSVFK-SRSLHRDFSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001607080911 1164072115 /nfs/dbraw/zinc/07/21/15/1164072115.db2.gz UIVURVRHBGSVFK-SRSLHRDFSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1cc(N2C[C@@H]3C[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001607078456 1164072412 /nfs/dbraw/zinc/07/24/12/1164072412.db2.gz ANRFWPNCHIFPEB-OCAPTIKFSA-N -1 3 272.268 1.231 20 5 CDBDHM O=[N+]([O-])c1cc(N2CCCCCO2)ccc1-c1nnn[n-]1 ZINC001609601511 1164999193 /nfs/dbraw/zinc/99/91/93/1164999193.db2.gz ZUCJPYWUXNAAQY-UHFFFAOYSA-N -1 3 290.283 1.697 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCCOCC2)c(-c2nnn[n-]2)c1 ZINC001609602048 1165001403 /nfs/dbraw/zinc/00/14/03/1165001403.db2.gz MLDYYDUATFDDRV-UHFFFAOYSA-N -1 3 290.283 1.002 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCCOCC2)c(-c2nn[n-]n2)c1 ZINC001609602048 1165001411 /nfs/dbraw/zinc/00/14/11/1165001411.db2.gz MLDYYDUATFDDRV-UHFFFAOYSA-N -1 3 290.283 1.002 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccncc1 ZINC001593475267 1174082063 /nfs/dbraw/zinc/08/20/63/1174082063.db2.gz NSCUMYJYVUPNHR-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccncc1 ZINC001593475267 1174082068 /nfs/dbraw/zinc/08/20/68/1174082068.db2.gz NSCUMYJYVUPNHR-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ncccc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC001593487614 1174085803 /nfs/dbraw/zinc/08/58/03/1174085803.db2.gz JRIUXTYRYVPQOT-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1ncccc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC001593487614 1174085814 /nfs/dbraw/zinc/08/58/14/1174085814.db2.gz JRIUXTYRYVPQOT-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603788522 1175630751 /nfs/dbraw/zinc/63/07/51/1175630751.db2.gz YIJSHLQJGCBSPJ-UHFFFAOYSA-N -1 3 275.272 1.016 20 5 CDBDHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603788522 1175630752 /nfs/dbraw/zinc/63/07/52/1175630752.db2.gz YIJSHLQJGCBSPJ-UHFFFAOYSA-N -1 3 275.272 1.016 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC/C=C\Cl ZINC001593469797 1167752048 /nfs/dbraw/zinc/75/20/48/1167752048.db2.gz ABAVANLGSHOWQH-RJRFIUFISA-N -1 3 280.675 1.939 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC/C=C\Cl ZINC001593469797 1167752059 /nfs/dbraw/zinc/75/20/59/1167752059.db2.gz ABAVANLGSHOWQH-RJRFIUFISA-N -1 3 280.675 1.939 20 5 CDBDHM C[C@@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CCO1 ZINC001225663871 903629378 /nfs/dbraw/zinc/62/93/78/903629378.db2.gz HWLNHFJESAJXRY-SFYZADRCSA-N -1 3 254.242 1.642 20 5 CDBDHM COC(=O)c1ccnnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818445 925854760 /nfs/dbraw/zinc/85/47/60/925854760.db2.gz ASOVWQKKCDGFAL-UHFFFAOYSA-N -1 3 290.235 1.621 20 5 CDBDHM Nc1nc(NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001158774592 938663076 /nfs/dbraw/zinc/66/30/76/938663076.db2.gz PTEUABNUDCZYGN-UHFFFAOYSA-N -1 3 261.241 1.285 20 5 CDBDHM Cc1cc(CN)nn1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001163988380 939373924 /nfs/dbraw/zinc/37/39/24/939373924.db2.gz OLIMOORMNZTORE-UHFFFAOYSA-N -1 3 276.252 1.246 20 5 CDBDHM NC(=O)c1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)cc1[O-] ZINC001209940007 940653125 /nfs/dbraw/zinc/65/31/25/940653125.db2.gz VYGKZGHVVQFXIB-UHFFFAOYSA-N -1 3 288.263 1.725 20 5 CDBDHM CN1CCC[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225488977 941867906 /nfs/dbraw/zinc/86/79/06/941867906.db2.gz OTYZPNZTUXUVPA-JTQLQIEISA-N -1 3 252.270 1.773 20 5 CDBDHM COC(=O)[C@@H]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666541 941897460 /nfs/dbraw/zinc/89/74/60/941897460.db2.gz KJOOWNAEHHXOBH-BDAKNGLRSA-N -1 3 296.279 1.806 20 5 CDBDHM CC[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(=O)OC ZINC001227743751 942216040 /nfs/dbraw/zinc/21/60/40/942216040.db2.gz XJVYAAYGIISRGJ-SNVBAGLBSA-N -1 3 279.252 1.802 20 5 CDBDHM CC[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(=O)OC ZINC001227743751 942216042 /nfs/dbraw/zinc/21/60/42/942216042.db2.gz XJVYAAYGIISRGJ-SNVBAGLBSA-N -1 3 279.252 1.802 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3COC[C@H]3F)[n-]c2c1 ZINC001227741840 942216507 /nfs/dbraw/zinc/21/65/07/942216507.db2.gz SHRNXEYWRUBCTE-GMSGAONNSA-N -1 3 267.216 1.587 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3COC[C@H]3F)nc2c1 ZINC001227741840 942216514 /nfs/dbraw/zinc/21/65/14/942216514.db2.gz SHRNXEYWRUBCTE-GMSGAONNSA-N -1 3 267.216 1.587 20 5 CDBDHM CN1CCC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228602445 942340308 /nfs/dbraw/zinc/34/03/08/942340308.db2.gz BKRAEADVYLOCBH-SECBINFHSA-N -1 3 294.311 1.441 20 5 CDBDHM C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)CCC(=O)[O-] ZINC001254546438 947518239 /nfs/dbraw/zinc/51/82/39/947518239.db2.gz FTVIPXODPDLMMT-JTQLQIEISA-N -1 3 294.307 1.549 20 5 CDBDHM Cc1ncc(N[C@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001254548062 947518388 /nfs/dbraw/zinc/51/83/88/947518388.db2.gz GFEMHTWXYFHXEZ-BXKDBHETSA-N -1 3 288.307 1.513 20 5 CDBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(=O)[O-])CC1 ZINC000086731312 957978806 /nfs/dbraw/zinc/97/88/06/957978806.db2.gz YSFYMMPUQBNRFU-NSHDSACASA-N -1 3 293.323 1.358 20 5 CDBDHM CN1CCC[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000225811856 959864059 /nfs/dbraw/zinc/86/40/59/959864059.db2.gz JJDPQHKQHVGNHG-SECBINFHSA-N -1 3 280.284 1.194 20 5 CDBDHM O=C([O-])[C@]12CCC[C@H]1N(Cc1cccnc1[N+](=O)[O-])CC2 ZINC001331998350 961453612 /nfs/dbraw/zinc/45/36/12/961453612.db2.gz XGRBCGDILHIOEA-RISCZKNCSA-N -1 3 291.307 1.819 20 5 CDBDHM C[C@@H]1[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000719471416 978004675 /nfs/dbraw/zinc/00/46/75/978004675.db2.gz KOPTVEQSMWHZJW-HTQZYQBOSA-N -1 3 280.284 1.193 20 5 CDBDHM C[C@H]1COC[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604820120 1163338930 /nfs/dbraw/zinc/33/89/30/1163338930.db2.gz WPXWTTVZMRWHGC-GZMMTYOYSA-N -1 3 280.280 1.418 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC/C=C/Cl ZINC001593471857 1174082419 /nfs/dbraw/zinc/08/24/19/1174082419.db2.gz VKGARCJMWAUGBS-OWOJBTEDSA-N -1 3 281.663 1.334 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC/C=C/Cl ZINC001593471857 1174082429 /nfs/dbraw/zinc/08/24/29/1174082429.db2.gz VKGARCJMWAUGBS-OWOJBTEDSA-N -1 3 281.663 1.334 20 5 CDBDHM O=C([O-])[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000592424624 342690367 /nfs/dbraw/zinc/69/03/67/342690367.db2.gz ZFEPVWXNGARTPY-KOLCDFICSA-N -1 3 264.281 1.938 20 5 CDBDHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596126465 343237201 /nfs/dbraw/zinc/23/72/01/343237201.db2.gz TYINMPOUCSJVNH-NSHDSACASA-N -1 3 253.258 1.268 20 5 CDBDHM CO[C@H]1COCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596253800 343275628 /nfs/dbraw/zinc/27/56/28/343275628.db2.gz XBVXUAXSDJMAOQ-SCZZXKLOSA-N -1 3 283.284 1.159 20 5 CDBDHM C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1nccn1C ZINC000596541315 343346307 /nfs/dbraw/zinc/34/63/07/343346307.db2.gz FEICZRAXRVTHPN-ZETCQYMHSA-N -1 3 263.257 1.602 20 5 CDBDHM CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1 ZINC000598569095 343831703 /nfs/dbraw/zinc/83/17/03/343831703.db2.gz ABBHNBCAIBGRLW-LBPRGKRZSA-N -1 3 293.323 1.370 20 5 CDBDHM C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000542791193 362612602 /nfs/dbraw/zinc/61/26/02/362612602.db2.gz XJXOAGQENDCUKZ-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000087041017 179386936 /nfs/dbraw/zinc/38/69/36/179386936.db2.gz UKANMEWXRXKHCJ-LLVKDONJSA-N -1 3 288.325 1.034 20 5 CDBDHM CCCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000023390268 356641807 /nfs/dbraw/zinc/64/18/07/356641807.db2.gz AUBSVWFCUMJIDB-UHFFFAOYSA-N -1 3 288.325 1.682 20 5 CDBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCCN(C)C1 ZINC000187145469 357732643 /nfs/dbraw/zinc/73/26/43/357732643.db2.gz UTDSGBNIXAWOKW-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM CC/C=C\C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000451774410 359080416 /nfs/dbraw/zinc/08/04/16/359080416.db2.gz NJGMYVLYDXYMIN-ARJAWSKDSA-N -1 3 288.300 1.978 20 5 CDBDHM COc1cc(CNc2cnn(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000237290063 361078178 /nfs/dbraw/zinc/07/81/78/361078178.db2.gz JLWYQNJXUTWICQ-UHFFFAOYSA-N -1 3 278.268 1.655 20 5 CDBDHM CCc1n[n-]c(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000152000838 365053334 /nfs/dbraw/zinc/05/33/34/365053334.db2.gz AGPJEPDXBKZQAW-UHFFFAOYSA-N -1 3 296.308 1.249 20 5 CDBDHM CCc1nnc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000152000838 365053342 /nfs/dbraw/zinc/05/33/42/365053342.db2.gz AGPJEPDXBKZQAW-UHFFFAOYSA-N -1 3 296.308 1.249 20 5 CDBDHM Cn1cnc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000356431815 372829147 /nfs/dbraw/zinc/82/91/47/372829147.db2.gz WKULYOCTQBTNNS-UHFFFAOYSA-N -1 3 253.243 1.037 20 5 CDBDHM Cc1ccnc([N-]c2cnn(CCO)c2)c1[N+](=O)[O-] ZINC000301295037 373504395 /nfs/dbraw/zinc/50/43/95/373504395.db2.gz OUPRYQNRZKIJAZ-UHFFFAOYSA-N -1 3 263.257 1.231 20 5 CDBDHM Cc1c(C[N-]S(=O)(=O)c2ccoc2)cccc1[N+](=O)[O-] ZINC000352151531 375356881 /nfs/dbraw/zinc/35/68/81/375356881.db2.gz RYPFZTQCANRYEU-UHFFFAOYSA-N -1 3 296.304 1.975 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC2)c(Cl)c1 ZINC000047543774 375840594 /nfs/dbraw/zinc/84/05/94/375840594.db2.gz ZMLQHIDLFOAGCM-UHFFFAOYSA-N -1 3 290.728 1.937 20 5 CDBDHM O=C([O-])[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000164655763 375935311 /nfs/dbraw/zinc/93/53/11/375935311.db2.gz GXQNSONLASTJIO-NSHDSACASA-N -1 3 294.307 1.770 20 5 CDBDHM NC(=O)c1ccnc(Sc2cccc([O-])c2)c1[N+](=O)[O-] ZINC000357441856 377694826 /nfs/dbraw/zinc/69/48/26/377694826.db2.gz OHQOPBYWPLBUHZ-UHFFFAOYSA-N -1 3 291.288 1.946 20 5 CDBDHM O=C(Nc1cc(F)ccc1O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187166506 140076627 /nfs/dbraw/zinc/07/66/27/140076627.db2.gz OIOOQYVVCSBQCV-UHFFFAOYSA-N -1 3 293.210 1.792 20 5 CDBDHM C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000149597253 277037584 /nfs/dbraw/zinc/03/75/84/277037584.db2.gz ZSBZDYQAOPLHIR-UHFFFAOYSA-N -1 3 284.215 1.522 20 5 CDBDHM CC(C)(NCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736339458 575628662 /nfs/dbraw/zinc/62/86/62/575628662.db2.gz KWQVZZNFFWGEGU-UHFFFAOYSA-N -1 3 256.233 1.687 20 5 CDBDHM CC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736349342 575634075 /nfs/dbraw/zinc/63/40/75/575634075.db2.gz FSQYLEKLHGMGKR-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@H](CCO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736349342 575634078 /nfs/dbraw/zinc/63/40/78/575634078.db2.gz FSQYLEKLHGMGKR-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736434378 575659770 /nfs/dbraw/zinc/65/97/70/575659770.db2.gz FYJILGWEANNUIK-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736434378 575659771 /nfs/dbraw/zinc/65/97/71/575659771.db2.gz FYJILGWEANNUIK-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(CCO)c2)n1 ZINC000765472070 576027413 /nfs/dbraw/zinc/02/74/13/576027413.db2.gz KNPRVZPCOMDUAJ-UHFFFAOYSA-N -1 3 263.257 1.231 20 5 CDBDHM COc1ccc(CC(=O)[N-]OCC(C)C)cc1[N+](=O)[O-] ZINC000750024461 576972601 /nfs/dbraw/zinc/97/26/01/576972601.db2.gz UAWDDUUBZQRENW-UHFFFAOYSA-N -1 3 282.296 1.850 20 5 CDBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCCO2)ccc1-c1nnn[n-]1 ZINC000823634500 606644284 /nfs/dbraw/zinc/64/42/84/606644284.db2.gz IFLQFVCAGRKIQG-VIFPVBQESA-N -1 3 290.283 1.366 20 5 CDBDHM COc1c([O-])ccc(CN2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000891670245 617530665 /nfs/dbraw/zinc/53/06/65/617530665.db2.gz JBPACUAEEXAYBO-VHSXEESVSA-N -1 3 296.323 1.918 20 5 CDBDHM CCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604184814 1163119172 /nfs/dbraw/zinc/11/91/72/1163119172.db2.gz CAPZJWVURUHKRJ-UHFFFAOYSA-N -1 3 262.273 1.987 20 5 CDBDHM CCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604184814 1163119175 /nfs/dbraw/zinc/11/91/75/1163119175.db2.gz CAPZJWVURUHKRJ-UHFFFAOYSA-N -1 3 262.273 1.987 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607086930 1164074210 /nfs/dbraw/zinc/07/42/10/1164074210.db2.gz UYXUMCKAPACIIG-XCBNKYQSSA-N -1 3 287.283 1.159 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607086930 1164074216 /nfs/dbraw/zinc/07/42/16/1164074216.db2.gz UYXUMCKAPACIIG-XCBNKYQSSA-N -1 3 287.283 1.159 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2C=CCCC2)c(-c2nnn[n-]2)c1 ZINC001607086288 1164074975 /nfs/dbraw/zinc/07/49/75/1164074975.db2.gz KPVBFYNSINQUBD-MRVPVSSYSA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2C=CCCC2)c(-c2nn[n-]n2)c1 ZINC001607086288 1164074982 /nfs/dbraw/zinc/07/49/82/1164074982.db2.gz KPVBFYNSINQUBD-MRVPVSSYSA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCCCO ZINC001607084089 1164075138 /nfs/dbraw/zinc/07/51/38/1164075138.db2.gz SNGXRRUNSUMDBX-UHFFFAOYSA-N -1 3 295.324 1.391 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCCCO ZINC001607084089 1164075143 /nfs/dbraw/zinc/07/51/43/1164075143.db2.gz SNGXRRUNSUMDBX-UHFFFAOYSA-N -1 3 295.324 1.391 20 5 CDBDHM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CO1 ZINC001609158392 1164806086 /nfs/dbraw/zinc/80/60/86/1164806086.db2.gz YPVHZUJKYZVYIH-JGVFFNPUSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CO1 ZINC001609158392 1164806091 /nfs/dbraw/zinc/80/60/91/1164806091.db2.gz YPVHZUJKYZVYIH-JGVFFNPUSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001609602733 1165002761 /nfs/dbraw/zinc/00/27/61/1165002761.db2.gz GFYCXNFSFGEUSF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001609602733 1165002767 /nfs/dbraw/zinc/00/27/67/1165002767.db2.gz GFYCXNFSFGEUSF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ncccn1 ZINC001593475689 1174081393 /nfs/dbraw/zinc/08/13/93/1174081393.db2.gz RWYCIPSLEYAHRX-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ncccn1 ZINC001593475689 1174081397 /nfs/dbraw/zinc/08/13/97/1174081397.db2.gz RWYCIPSLEYAHRX-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000884743145 730568961 /nfs/dbraw/zinc/56/89/61/730568961.db2.gz WGFPYFHUJKPESK-KOLCDFICSA-N -1 3 279.296 1.701 20 5 CDBDHM CCOC(=O)[C@H](F)C1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853645638 730572010 /nfs/dbraw/zinc/57/20/10/730572010.db2.gz CLBIGGQMLDEURI-SECBINFHSA-N -1 3 299.258 1.033 20 5 CDBDHM COc1cc(C(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)on1 ZINC000819919260 732142406 /nfs/dbraw/zinc/14/24/06/732142406.db2.gz CPHHOLBGROALFN-UHFFFAOYSA-N -1 3 278.224 1.426 20 5 CDBDHM CN1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001610137881 1165230938 /nfs/dbraw/zinc/23/09/38/1165230938.db2.gz YYUUSIIMOSGKNI-SECBINFHSA-N -1 3 297.286 1.187 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CCC(O)CC1 ZINC001218366125 898704807 /nfs/dbraw/zinc/70/48/07/898704807.db2.gz OKELTGGHCGZSPX-UHFFFAOYSA-N -1 3 254.242 1.378 20 5 CDBDHM O=c1[n-]ccc(NOC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC001328024933 936363285 /nfs/dbraw/zinc/36/32/85/936363285.db2.gz XGLOERSQHMJBHA-ZETCQYMHSA-N -1 3 255.230 1.075 20 5 CDBDHM CC(C)(C)c1ccc(-n2[n-]c(=O)nc2CN)c([N+](=O)[O-])c1 ZINC001168761739 923313890 /nfs/dbraw/zinc/31/38/90/923313890.db2.gz UZGJBLZVNDCGFS-UHFFFAOYSA-N -1 3 291.311 1.637 20 5 CDBDHM CCOC(=O)c1cc(N)cn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819197 925855391 /nfs/dbraw/zinc/85/53/91/925855391.db2.gz MAKQJCMWXAJHKY-UHFFFAOYSA-N -1 3 291.263 1.850 20 5 CDBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ncn1 ZINC001199802041 925868505 /nfs/dbraw/zinc/86/85/05/925868505.db2.gz KDNVQRULSGARJE-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2CCO)c1 ZINC001199828127 925894288 /nfs/dbraw/zinc/89/42/88/925894288.db2.gz AUYHPMOBSMHPBR-UHFFFAOYSA-N -1 3 275.264 1.974 20 5 CDBDHM Cc1ccc([C@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000853372047 928013027 /nfs/dbraw/zinc/01/30/27/928013027.db2.gz HVQXYIQQUFLJNW-SECBINFHSA-N -1 3 279.252 1.742 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1Nc1cnc(C)[n-]c1=O ZINC001162297502 938973366 /nfs/dbraw/zinc/97/33/66/938973366.db2.gz DIVFZGPTYXNSRZ-SECBINFHSA-N -1 3 261.241 1.108 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CC2(COC2)C1 ZINC001225666158 941896976 /nfs/dbraw/zinc/89/69/76/941896976.db2.gz HCJGTHIEELUXFE-UHFFFAOYSA-N -1 3 252.226 1.253 20 5 CDBDHM CC(C)OC(=O)COc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746838 942218355 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CO[C@]1(C(=O)[O-])CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000600675176 342241356 /nfs/dbraw/zinc/24/13/56/342241356.db2.gz JPHCHRZQLWPQQH-CQSZACIVSA-N -1 3 294.307 1.313 20 5 CDBDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565763514 365713901 /nfs/dbraw/zinc/71/39/01/365713901.db2.gz ZZJGNQDIQLURHC-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565763514 365713905 /nfs/dbraw/zinc/71/39/05/365713905.db2.gz ZZJGNQDIQLURHC-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000596083159 343220362 /nfs/dbraw/zinc/22/03/62/343220362.db2.gz OTXYJJZFTZXQLE-SECBINFHSA-N -1 3 289.295 1.803 20 5 CDBDHM CCOC(=O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596050314 343220966 /nfs/dbraw/zinc/22/09/66/343220966.db2.gz DVLYFANYROFCIQ-UHFFFAOYSA-N -1 3 295.295 1.475 20 5 CDBDHM CCn1cc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596129413 343238176 /nfs/dbraw/zinc/23/81/76/343238176.db2.gz UHAAFBSEBWPUOE-UHFFFAOYSA-N -1 3 277.284 1.548 20 5 CDBDHM CC(C)(CO)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596145015 343243306 /nfs/dbraw/zinc/24/33/06/343243306.db2.gz KGDIABYBEGYBFH-UHFFFAOYSA-N -1 3 269.301 1.906 20 5 CDBDHM C[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182767 343250807 /nfs/dbraw/zinc/25/08/07/343250807.db2.gz RTZWQHSQBINJFX-DTWKUNHWSA-N -1 3 267.285 1.922 20 5 CDBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596162220 343256438 /nfs/dbraw/zinc/25/64/38/343256438.db2.gz FRIFPCHVSOERPV-NSHDSACASA-N -1 3 253.258 1.676 20 5 CDBDHM CCC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596176564 343260879 /nfs/dbraw/zinc/26/08/79/343260879.db2.gz BSSVDJWYGXDVSS-SECBINFHSA-N -1 3 267.285 1.701 20 5 CDBDHM CC1(C)[C@H](O)C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596200897 343263758 /nfs/dbraw/zinc/26/37/58/343263758.db2.gz PUPCFMNCSHFGMX-HTQZYQBOSA-N -1 3 253.258 1.267 20 5 CDBDHM C[C@H](CCCCO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596251621 343274869 /nfs/dbraw/zinc/27/48/69/343274869.db2.gz ZMUMHKJNNBYXRM-MRVPVSSYSA-N -1 3 255.274 1.658 20 5 CDBDHM O=c1[n-]ccc(N[C@H]([C@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000596265813 343279703 /nfs/dbraw/zinc/27/97/03/343279703.db2.gz QIHKAUJSAVQBNU-PWSUYJOCSA-N -1 3 293.323 1.904 20 5 CDBDHM C[C@H]1[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCN1C ZINC000436980741 362244172 /nfs/dbraw/zinc/24/41/72/362244172.db2.gz OUBZNRLWJRQNHW-ONGXEEELSA-N -1 3 293.323 1.513 20 5 CDBDHM CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000598342502 343771033 /nfs/dbraw/zinc/77/10/33/343771033.db2.gz OCFBAXLNSPMDIN-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000604399875 344887978 /nfs/dbraw/zinc/88/79/78/344887978.db2.gz TZCIBWQWLKXXPH-SECBINFHSA-N -1 3 284.337 1.919 20 5 CDBDHM Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c([O-])c1 ZINC000067287399 349020413 /nfs/dbraw/zinc/02/04/13/349020413.db2.gz OQJDWRUEHROKJT-UHFFFAOYSA-N -1 3 290.279 1.834 20 5 CDBDHM CCc1nn(C)c(NCc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC000361059596 357789412 /nfs/dbraw/zinc/78/94/12/357789412.db2.gz HDZURTDLTTUUOT-UHFFFAOYSA-N -1 3 292.299 1.307 20 5 CDBDHM Cc1cccc([O-])c1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000352637024 358661999 /nfs/dbraw/zinc/66/19/99/358661999.db2.gz LKDPIVZULDMHPM-UHFFFAOYSA-N -1 3 262.225 1.584 20 5 CDBDHM COCCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000287509458 358669597 /nfs/dbraw/zinc/66/95/97/358669597.db2.gz JTEPNGPVABMRFR-UHFFFAOYSA-N -1 3 283.284 1.993 20 5 CDBDHM CN1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000395495971 358670054 /nfs/dbraw/zinc/67/00/54/358670054.db2.gz PHNAUQIFXXBXJF-MRVPVSSYSA-N -1 3 265.269 1.191 20 5 CDBDHM CSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000354772252 360118813 /nfs/dbraw/zinc/11/88/13/360118813.db2.gz NPYLLZJSDSTXGA-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000354772252 360118819 /nfs/dbraw/zinc/11/88/19/360118819.db2.gz NPYLLZJSDSTXGA-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n[n-]1 ZINC000354772252 360118822 /nfs/dbraw/zinc/11/88/22/360118822.db2.gz NPYLLZJSDSTXGA-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CC(C)c1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n[nH]1 ZINC000102896145 364648722 /nfs/dbraw/zinc/64/87/22/364648722.db2.gz SFADFCJNHAIXHY-UHFFFAOYSA-N -1 3 291.267 1.794 20 5 CDBDHM CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000272390063 367717510 /nfs/dbraw/zinc/71/75/10/367717510.db2.gz LAPQPIOMYFDMDI-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CN(CCN(C)C1CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274689771 374680541 /nfs/dbraw/zinc/68/05/41/374680541.db2.gz ZVBHBPNQXQWSFL-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM CSCCO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000280175532 374985681 /nfs/dbraw/zinc/98/56/81/374985681.db2.gz ZKJYBHILCRZFJD-UHFFFAOYSA-N -1 3 274.273 1.758 20 5 CDBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000280715884 375017149 /nfs/dbraw/zinc/01/71/49/375017149.db2.gz IHNHXTKWZFUXTQ-NXEZZACHSA-N -1 3 284.337 1.980 20 5 CDBDHM O=[N+]([O-])c1cc([N-]S(=O)(=O)C2CC2)ccc1F ZINC000171329891 376516708 /nfs/dbraw/zinc/51/67/08/376516708.db2.gz VIHUBTFQOPWXNU-UHFFFAOYSA-N -1 3 260.246 1.638 20 5 CDBDHM CCc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445190306 250211437 /nfs/dbraw/zinc/21/14/37/250211437.db2.gz PUQWOVLDRKEEDZ-UHFFFAOYSA-N -1 3 294.292 1.967 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC2)c(F)c1 ZINC000173767227 379149386 /nfs/dbraw/zinc/14/93/86/379149386.db2.gz RSNMNAOPFGMFKI-UHFFFAOYSA-N -1 3 288.300 1.812 20 5 CDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2CC2)c1[N+](=O)[O-] ZINC000189820694 130027124 /nfs/dbraw/zinc/02/71/24/130027124.db2.gz NUDNMDGIJAJXEF-UHFFFAOYSA-N -1 3 284.337 1.900 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493623605 393216051 /nfs/dbraw/zinc/21/60/51/393216051.db2.gz HCQVYIJNMFXMMW-GQCTYLIASA-N -1 3 298.270 1.566 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccno1 ZINC000349449589 154116413 /nfs/dbraw/zinc/11/64/13/154116413.db2.gz IGIPDXFIQWKVAC-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM O=C([O-])[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000021952734 171340114 /nfs/dbraw/zinc/34/01/14/171340114.db2.gz ZIYBPDLTFLTPFX-LLVKDONJSA-N -1 3 250.254 1.644 20 5 CDBDHM CC(C)=CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589379376 1173142502 /nfs/dbraw/zinc/14/25/02/1173142502.db2.gz KUXDUPKLDUXDNT-UHFFFAOYSA-N -1 3 289.299 1.735 20 5 CDBDHM CC(C)=CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589379376 1173142505 /nfs/dbraw/zinc/14/25/05/1173142505.db2.gz KUXDUPKLDUXDNT-UHFFFAOYSA-N -1 3 289.299 1.735 20 5 CDBDHM CC[C@@](C)(CO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590382216 1173383012 /nfs/dbraw/zinc/38/30/12/1173383012.db2.gz MPKXJPXVGQPZAC-LBPRGKRZSA-N -1 3 292.299 1.348 20 5 CDBDHM CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC000438518418 289058044 /nfs/dbraw/zinc/05/80/44/289058044.db2.gz SQCRMYMZMCRZJK-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OC1CCOCC1 ZINC000772722902 575743387 /nfs/dbraw/zinc/74/33/87/575743387.db2.gz QJWLWIIPEOLADB-UHFFFAOYSA-N -1 3 294.307 1.754 20 5 CDBDHM CN(CC(F)F)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736789323 575745195 /nfs/dbraw/zinc/74/51/95/575745195.db2.gz WZHIYGMDORLDFV-UHFFFAOYSA-N -1 3 284.226 1.476 20 5 CDBDHM CN(CC(F)F)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736789323 575745197 /nfs/dbraw/zinc/74/51/97/575745197.db2.gz WZHIYGMDORLDFV-UHFFFAOYSA-N -1 3 284.226 1.476 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C(=O)[O-] ZINC000738295049 576056915 /nfs/dbraw/zinc/05/69/15/576056915.db2.gz CQGLHZYNFDUIEA-UHFFFAOYSA-N -1 3 295.295 1.295 20 5 CDBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cncnc1 ZINC000760492081 576488433 /nfs/dbraw/zinc/48/84/33/576488433.db2.gz FMTWLVNAPOOKTM-UHFFFAOYSA-N -1 3 280.190 1.915 20 5 CDBDHM O=C([O-])C[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC001601936634 1175075890 /nfs/dbraw/zinc/07/58/90/1175075890.db2.gz FKGUKMZJHRABOW-ZDUSSCGKSA-N -1 3 280.280 1.318 20 5 CDBDHM COc1c([O-])ccc(CN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891401736 617383382 /nfs/dbraw/zinc/38/33/82/617383382.db2.gz JDMIYVRQYFECHU-AOOOYVTPSA-N -1 3 296.323 1.918 20 5 CDBDHM COc1c([O-])ccc(CN2CCO[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000892048358 617441874 /nfs/dbraw/zinc/44/18/74/617441874.db2.gz KEMMGKQCYIFVLX-UWVGGRQHSA-N -1 3 296.323 1.918 20 5 CDBDHM Cn1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1 ZINC000808012095 1162799167 /nfs/dbraw/zinc/79/91/67/1162799167.db2.gz JZXBJLMDSMYLOI-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM Cc1nc(Oc2ccccc2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC001606078628 1163765683 /nfs/dbraw/zinc/76/56/83/1163765683.db2.gz OOZSYNYTMFXFSU-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1nc(Oc2ccccc2-c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC001606078628 1163765688 /nfs/dbraw/zinc/76/56/88/1163765688.db2.gz OOZSYNYTMFXFSU-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM C[C@H]1CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590238212 1173310216 /nfs/dbraw/zinc/31/02/16/1173310216.db2.gz CLEJEZLHQIVEOU-CBAPKCEASA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@H]1CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590238212 1173310223 /nfs/dbraw/zinc/31/02/23/1173310223.db2.gz CLEJEZLHQIVEOU-CBAPKCEASA-N -1 3 274.284 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCOCCF)c(-c2nnn[n-]2)c1 ZINC001593479092 1174082930 /nfs/dbraw/zinc/08/29/30/1174082930.db2.gz SJLKCYLOSJAUIR-UHFFFAOYSA-N -1 3 296.262 1.173 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCOCCF)c(-c2nn[n-]n2)c1 ZINC001593479092 1174082936 /nfs/dbraw/zinc/08/29/36/1174082936.db2.gz SJLKCYLOSJAUIR-UHFFFAOYSA-N -1 3 296.262 1.173 20 5 CDBDHM CC(C)NC(=O)OC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853627057 733867587 /nfs/dbraw/zinc/86/75/87/733867587.db2.gz MZVODYIAUWACQN-UHFFFAOYSA-N -1 3 296.283 1.019 20 5 CDBDHM CC(C)OCCO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832337463 734927746 /nfs/dbraw/zinc/92/77/46/734927746.db2.gz ZNAVBZUSOSEFBP-UHFFFAOYSA-N -1 3 262.306 1.295 20 5 CDBDHM CC1(O)CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000703530801 736113497 /nfs/dbraw/zinc/11/34/97/736113497.db2.gz KBAOOSCEDKPCHX-UHFFFAOYSA-N -1 3 267.285 1.801 20 5 CDBDHM Cc1ncc(Nc2ccc(N)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001209934707 894927967 /nfs/dbraw/zinc/92/79/67/894927967.db2.gz RXOIGPMYTKUKPB-UHFFFAOYSA-N -1 3 261.241 1.725 20 5 CDBDHM Cc1nc(O[C@@H](C[N+](=O)[O-])C2CC2)c(C)c(=O)[n-]1 ZINC001229687015 908255191 /nfs/dbraw/zinc/25/51/91/908255191.db2.gz XOMPWFGECGLWGL-VIFPVBQESA-N -1 3 253.258 1.233 20 5 CDBDHM O=C(NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001107005390 917741969 /nfs/dbraw/zinc/74/19/69/917741969.db2.gz TVWVMBSVYBQCFR-OWOJBTEDSA-N -1 3 292.295 1.190 20 5 CDBDHM CCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107002286 917745563 /nfs/dbraw/zinc/74/55/63/917745563.db2.gz VMXYKANBPAGQRN-ARJAWSKDSA-N -1 3 280.284 1.190 20 5 CDBDHM O=c1[nH]cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001199814348 925876107 /nfs/dbraw/zinc/87/61/07/925876107.db2.gz HHKMINYOAUSULG-UHFFFAOYSA-N -1 3 264.197 1.245 20 5 CDBDHM Cc1ncc(Nc2cc(Cl)ncc2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297732 938973431 /nfs/dbraw/zinc/97/34/31/938973431.db2.gz HLIYKRYTOAMDRL-ZETCQYMHSA-N -1 3 281.659 1.453 20 5 CDBDHM CC(=O)N1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225667983 941897394 /nfs/dbraw/zinc/89/73/94/941897394.db2.gz XQBSLOCFZDODSJ-VIFPVBQESA-N -1 3 281.268 1.085 20 5 CDBDHM CN1CCO[C@H](COc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227744335 942216881 /nfs/dbraw/zinc/21/68/81/942216881.db2.gz GIHDKBWIVCOTLT-JTQLQIEISA-N -1 3 292.295 1.181 20 5 CDBDHM CN1CCO[C@H](COc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227744335 942216883 /nfs/dbraw/zinc/21/68/83/942216883.db2.gz GIHDKBWIVCOTLT-JTQLQIEISA-N -1 3 292.295 1.181 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC001228685028 942356221 /nfs/dbraw/zinc/35/62/21/942356221.db2.gz CTOFSXUMOKXCJQ-MRVPVSSYSA-N -1 3 254.242 1.562 20 5 CDBDHM COC(=O)[C@@]1(C)C[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228689367 942359199 /nfs/dbraw/zinc/35/91/99/942359199.db2.gz SQGIBOUMWGQMLM-KTLJEJPDSA-N -1 3 296.279 1.724 20 5 CDBDHM Cc1ncc(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(=O)[n-]1 ZINC001254590353 947541846 /nfs/dbraw/zinc/54/18/46/947541846.db2.gz WEYNUDGPCXIOGV-AAEUAGOBSA-N -1 3 286.291 1.050 20 5 CDBDHM C[C@@H](CC(=O)[O-])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001609888647 970587203 /nfs/dbraw/zinc/58/72/03/970587203.db2.gz OZKYVWMDEVOSRI-QMMMGPOBSA-N -1 3 296.279 1.319 20 5 CDBDHM COCC1(NCc2cc([O-])ccc2[N+](=O)[O-])CCOCC1 ZINC000590068741 342521678 /nfs/dbraw/zinc/52/16/78/342521678.db2.gz ZQQGOZRHWXXMLD-UHFFFAOYSA-N -1 3 296.323 1.586 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000596084117 343220697 /nfs/dbraw/zinc/22/06/97/343220697.db2.gz IJGRFCUJNPYFHJ-MRVPVSSYSA-N -1 3 253.258 1.534 20 5 CDBDHM Cc1nccn1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596137324 343240620 /nfs/dbraw/zinc/24/06/20/343240620.db2.gz RMTHBDCMJXQQAJ-UHFFFAOYSA-N -1 3 277.284 1.703 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000596161839 343256388 /nfs/dbraw/zinc/25/63/88/343256388.db2.gz KXSKHGZMMMVQEG-DTORHVGOSA-N -1 3 267.285 1.658 20 5 CDBDHM C[C@@H]1CN(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000596432262 343320014 /nfs/dbraw/zinc/32/00/14/343320014.db2.gz RRLWOKIKPGHCSS-NXEZZACHSA-N -1 3 296.327 1.217 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CCN(CC(F)F)C2)c1[N+](=O)[O-] ZINC000596276349 343295868 /nfs/dbraw/zinc/29/58/68/343295868.db2.gz ACGCATYNOWIKEG-SSDOTTSWSA-N -1 3 288.254 1.447 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]C2(C)COC2)cc1[N+](=O)[O-] ZINC000601504508 344179801 /nfs/dbraw/zinc/17/98/01/344179801.db2.gz KFDIMKOLGONRIO-UHFFFAOYSA-N -1 3 292.338 1.032 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000609893927 346037082 /nfs/dbraw/zinc/03/70/82/346037082.db2.gz VGKZJEIOBXFCOT-QMMMGPOBSA-N -1 3 297.702 1.567 20 5 CDBDHM Cc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000612789295 347284086 /nfs/dbraw/zinc/28/40/86/347284086.db2.gz FBFGNLKSQNQXLR-UHFFFAOYSA-N -1 3 296.308 1.105 20 5 CDBDHM CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000037023140 363314891 /nfs/dbraw/zinc/31/48/91/363314891.db2.gz GIUQMQLHKFGHDF-UHFFFAOYSA-N -1 3 278.717 1.937 20 5 CDBDHM O=C([N-]OCC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000293854131 198797673 /nfs/dbraw/zinc/79/76/73/198797673.db2.gz VEEIPAFTRGKGCT-UHFFFAOYSA-N -1 3 254.217 1.805 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[O-] ZINC000436523675 358759479 /nfs/dbraw/zinc/75/94/79/358759479.db2.gz CCFORTUBEVLRBX-UHFFFAOYSA-N -1 3 262.225 1.286 20 5 CDBDHM CC(C)[C@H](CCO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339084347 359286072 /nfs/dbraw/zinc/28/60/72/359286072.db2.gz UGFSJRDVTJLNPC-LBPRGKRZSA-N -1 3 268.313 1.797 20 5 CDBDHM C[C@H]1[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000339064459 359283278 /nfs/dbraw/zinc/28/32/78/359283278.db2.gz GNBWMKOPSASZMO-QWRGUYRKSA-N -1 3 279.340 1.825 20 5 CDBDHM CN1CCC[C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166733326 360263785 /nfs/dbraw/zinc/26/37/85/360263785.db2.gz GEMIDKXRRZUYHV-SECBINFHSA-N -1 3 294.311 1.442 20 5 CDBDHM O=C([N-]c1cccc2c1CNC2=O)c1ccc([N+](=O)[O-])o1 ZINC000345513572 361092420 /nfs/dbraw/zinc/09/24/20/361092420.db2.gz DRZPJUSIGXBYKL-UHFFFAOYSA-N -1 3 287.231 1.684 20 5 CDBDHM COc1cc(CN(C)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000568414837 294035108 /nfs/dbraw/zinc/03/51/08/294035108.db2.gz WRNNGDNIWLQGSM-MRVPVSSYSA-N -1 3 268.269 1.508 20 5 CDBDHM Nc1nc(Sc2ccc([O-])cc2)ncc1[N+](=O)[O-] ZINC000301176915 368176289 /nfs/dbraw/zinc/17/62/89/368176289.db2.gz XELVYXVVFYFWHX-UHFFFAOYSA-N -1 3 264.266 1.824 20 5 CDBDHM CC(C)c1n[nH]c(C(=O)[N-]OC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000276434090 193329939 /nfs/dbraw/zinc/32/99/39/193329939.db2.gz KQKRRQNKMQUJBX-QMMMGPOBSA-N -1 3 298.299 1.139 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC(C)(C)O)c1 ZINC000279297809 194373960 /nfs/dbraw/zinc/37/39/60/194373960.db2.gz ZLMRFSVVMALGKF-UHFFFAOYSA-N -1 3 284.268 1.036 20 5 CDBDHM Cc1ccoc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000490330491 253035574 /nfs/dbraw/zinc/03/55/74/253035574.db2.gz YJFMLCDUCOFVJL-UHFFFAOYSA-N -1 3 296.304 1.975 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3nnn[n-]3)c2)c1 ZINC000349145279 154060183 /nfs/dbraw/zinc/06/01/83/154060183.db2.gz RXHRHQCODZSIJP-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3nn[n-]n3)c2)c1 ZINC000349145279 154060184 /nfs/dbraw/zinc/06/01/84/154060184.db2.gz RXHRHQCODZSIJP-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM Cc1c(CN2CCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000035649613 172325877 /nfs/dbraw/zinc/32/58/77/172325877.db2.gz BHBIWGZIPYWSSW-LBPRGKRZSA-N -1 3 264.281 1.952 20 5 CDBDHM O=C([N-]c1nncn1C1CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000285796813 196401968 /nfs/dbraw/zinc/40/19/68/196401968.db2.gz MNOZDXKDVLXGMS-UHFFFAOYSA-N -1 3 291.242 1.913 20 5 CDBDHM C[C@@H](CCO)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589833852 1173189300 /nfs/dbraw/zinc/18/93/00/1173189300.db2.gz CAPPDKWLWXZLMI-ZETCQYMHSA-N -1 3 295.324 1.638 20 5 CDBDHM CCOCCO[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000186943726 270266988 /nfs/dbraw/zinc/26/69/88/270266988.db2.gz LVTWQRODNXBEOH-VMPITWQZSA-N -1 3 280.280 1.692 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)CC(=O)[O-] ZINC000575003063 295087794 /nfs/dbraw/zinc/08/77/94/295087794.db2.gz CCUCAZPNTUUKJT-VIFPVBQESA-N -1 3 282.296 1.898 20 5 CDBDHM CO[C@H](C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591473535 1173658647 /nfs/dbraw/zinc/65/86/47/1173658647.db2.gz LLWRNMOWYKFTLX-SSDOTTSWSA-N -1 3 278.272 1.222 20 5 CDBDHM CO[C@H](C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591473535 1173658652 /nfs/dbraw/zinc/65/86/52/1173658652.db2.gz LLWRNMOWYKFTLX-SSDOTTSWSA-N -1 3 278.272 1.222 20 5 CDBDHM COc1cc(CN2CC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000579132748 324116240 /nfs/dbraw/zinc/11/62/40/324116240.db2.gz KTLRJOJREYJYAD-SNVBAGLBSA-N -1 3 280.280 1.510 20 5 CDBDHM COC[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000049176653 522206581 /nfs/dbraw/zinc/20/65/81/522206581.db2.gz WPNPJFIGGQEANH-VIFPVBQESA-N -1 3 288.325 1.156 20 5 CDBDHM O=C([O-])CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000037598063 601464814 /nfs/dbraw/zinc/46/48/14/601464814.db2.gz YSSVPALBRREOKL-UHFFFAOYSA-N -1 3 250.254 1.644 20 5 CDBDHM CS[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826226410 607733414 /nfs/dbraw/zinc/73/34/14/607733414.db2.gz YXIXIRBLFAYSHV-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM CS[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826226410 607733415 /nfs/dbraw/zinc/73/34/15/607733415.db2.gz YXIXIRBLFAYSHV-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC000820767124 606417785 /nfs/dbraw/zinc/41/77/85/606417785.db2.gz GKSOJKRCCYZTKK-DTORHVGOSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000820767124 606417787 /nfs/dbraw/zinc/41/77/87/606417787.db2.gz GKSOJKRCCYZTKK-DTORHVGOSA-N -1 3 288.311 1.867 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001605861539 1163693967 /nfs/dbraw/zinc/69/39/67/1163693967.db2.gz RURNEOULODTLFN-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001605861539 1163693970 /nfs/dbraw/zinc/69/39/70/1163693970.db2.gz RURNEOULODTLFN-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1nn([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001606105266 1163773213 /nfs/dbraw/zinc/77/32/13/1163773213.db2.gz SGWFILVGVRJEER-VIFPVBQESA-N -1 3 299.294 1.889 20 5 CDBDHM Cc1nn([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001606105266 1163773218 /nfs/dbraw/zinc/77/32/18/1163773218.db2.gz SGWFILVGVRJEER-VIFPVBQESA-N -1 3 299.294 1.889 20 5 CDBDHM O=[N+]([O-])c1cc(N2CCCOCC2)ccc1-c1nnn[n-]1 ZINC001607079236 1164071491 /nfs/dbraw/zinc/07/14/91/1164071491.db2.gz YMPQZEGZEZEPRU-UHFFFAOYSA-N -1 3 290.283 1.002 20 5 CDBDHM O=[N+]([O-])c1cc(NCc2ccoc2)ccc1-c1nnn[n-]1 ZINC001609600794 1164999453 /nfs/dbraw/zinc/99/94/53/1164999453.db2.gz DSKNNQIMMLVYCX-UHFFFAOYSA-N -1 3 286.251 1.980 20 5 CDBDHM CN1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001610137883 1165231059 /nfs/dbraw/zinc/23/10/59/1165231059.db2.gz YYUUSIIMOSGKNI-VIFPVBQESA-N -1 3 297.286 1.187 20 5 CDBDHM C[C@@H](CCO)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589833852 1173189296 /nfs/dbraw/zinc/18/92/96/1173189296.db2.gz CAPPDKWLWXZLMI-ZETCQYMHSA-N -1 3 295.324 1.638 20 5 CDBDHM CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590113507 1173262576 /nfs/dbraw/zinc/26/25/76/1173262576.db2.gz OIFLVGSGXIMYAX-QMMMGPOBSA-N -1 3 289.299 1.568 20 5 CDBDHM CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590113507 1173262581 /nfs/dbraw/zinc/26/25/81/1173262581.db2.gz OIFLVGSGXIMYAX-QMMMGPOBSA-N -1 3 289.299 1.568 20 5 CDBDHM C[C@@H](CF)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591723067 1173691764 /nfs/dbraw/zinc/69/17/64/1173691764.db2.gz JBKZJBUHAGQKLR-LURJTMIESA-N -1 3 266.236 1.545 20 5 CDBDHM C[C@@H](CF)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591723067 1173691767 /nfs/dbraw/zinc/69/17/67/1173691767.db2.gz JBKZJBUHAGQKLR-LURJTMIESA-N -1 3 266.236 1.545 20 5 CDBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)(C)O ZINC001591770871 1173700102 /nfs/dbraw/zinc/70/01/02/1173700102.db2.gz MHFDBCIDCDCMTP-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)(C)O ZINC001591770871 1173700107 /nfs/dbraw/zinc/70/01/07/1173700107.db2.gz MHFDBCIDCDCMTP-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC(F)(F)C1 ZINC001593475028 1174081439 /nfs/dbraw/zinc/08/14/39/1174081439.db2.gz NYFMTTJCLFVJLM-UHFFFAOYSA-N -1 3 296.237 1.620 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC(F)(F)C1 ZINC001593475028 1174081444 /nfs/dbraw/zinc/08/14/44/1174081444.db2.gz NYFMTTJCLFVJLM-UHFFFAOYSA-N -1 3 296.237 1.620 20 5 CDBDHM O=[N+]([O-])c1cnc(NCC2=CCCC2)c(-c2nnn[n-]2)c1 ZINC001593485589 1174083913 /nfs/dbraw/zinc/08/39/13/1174083913.db2.gz VAKJVVLIMKJVAT-UHFFFAOYSA-N -1 3 287.283 1.692 20 5 CDBDHM O=[N+]([O-])c1cnc(NCC2=CCCC2)c(-c2nn[n-]n2)c1 ZINC001593485589 1174083920 /nfs/dbraw/zinc/08/39/20/1174083920.db2.gz VAKJVVLIMKJVAT-UHFFFAOYSA-N -1 3 287.283 1.692 20 5 CDBDHM C[C@@H]1C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603872539 1175663557 /nfs/dbraw/zinc/66/35/57/1175663557.db2.gz SJYOFDSIBMWWAH-RQJHMYQMSA-N -1 3 275.272 1.238 20 5 CDBDHM C[C@@H]1C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603872539 1175663562 /nfs/dbraw/zinc/66/35/62/1175663562.db2.gz SJYOFDSIBMWWAH-RQJHMYQMSA-N -1 3 275.272 1.238 20 5 CDBDHM COc1cc(CNC(C)(C)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607163832 1164124374 /nfs/dbraw/zinc/12/43/74/1164124374.db2.gz HVFIAOAQIVYGID-UHFFFAOYSA-N -1 3 286.259 1.695 20 5 CDBDHM C[C@H](CCCO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609109447 1164772704 /nfs/dbraw/zinc/77/27/04/1164772704.db2.gz AYSKUVYLHVSUSK-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM CCCOC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853293893 738234504 /nfs/dbraw/zinc/23/45/04/738234504.db2.gz VWFXVNXMEPZKOP-UHFFFAOYSA-N -1 3 269.257 1.451 20 5 CDBDHM CC(C)OCCONc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853641899 738748677 /nfs/dbraw/zinc/74/86/77/738748677.db2.gz YZDQKKMPXWRHPF-UHFFFAOYSA-N -1 3 257.246 1.464 20 5 CDBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccncn1 ZINC000777465915 736908686 /nfs/dbraw/zinc/90/86/86/736908686.db2.gz JZPBWPDPJZRNRE-UHFFFAOYSA-N -1 3 280.190 1.915 20 5 CDBDHM CCCNC(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804329214 737873214 /nfs/dbraw/zinc/87/32/14/737873214.db2.gz BANAYIXACKCMBM-UHFFFAOYSA-N -1 3 282.256 1.441 20 5 CDBDHM CC(C)C[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695453173 899460648 /nfs/dbraw/zinc/46/06/48/899460648.db2.gz GWUSKHLLVNILCE-QMMMGPOBSA-N -1 3 255.274 1.514 20 5 CDBDHM Cc1cc(Cl)c([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162298376 922204702 /nfs/dbraw/zinc/20/47/02/922204702.db2.gz PPCUKOCVKGGRAV-MRVPVSSYSA-N -1 3 295.686 1.762 20 5 CDBDHM Cc1ncc(Nc2cc(Cl)cc([N+](=O)[O-])n2)c(=O)[n-]1 ZINC001162301271 922212150 /nfs/dbraw/zinc/21/21/50/922212150.db2.gz PBGUWCXMZUAWGH-ZETCQYMHSA-N -1 3 281.659 1.453 20 5 CDBDHM Cn1cc(CO[N-]C(=O)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000882992904 930119642 /nfs/dbraw/zinc/11/96/42/930119642.db2.gz XNRPNIOFRXQAGR-UHFFFAOYSA-N -1 3 270.289 1.312 20 5 CDBDHM CCOC(=O)[C@@H]1CCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667370 941897549 /nfs/dbraw/zinc/89/75/49/941897549.db2.gz RQMWKTJBYOVVQU-PSASIEDQSA-N -1 3 296.279 1.806 20 5 CDBDHM C[C@H](OC1=NC(=O)CC([O-])=N1)c1ccccc1[N+](=O)[O-] ZINC001228389200 942309646 /nfs/dbraw/zinc/30/96/46/942309646.db2.gz TUJZLHLNAIGKQR-ZETCQYMHSA-N -1 3 277.236 1.936 20 5 CDBDHM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)C(=O)[O-] ZINC001327323883 954826974 /nfs/dbraw/zinc/82/69/74/954826974.db2.gz SUULZKPLLQCUNO-JGVFFNPUSA-N -1 3 293.279 1.935 20 5 CDBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001321937650 960023003 /nfs/dbraw/zinc/02/30/03/960023003.db2.gz SVHGCZQVVBMTJE-UHFFFAOYSA-N -1 3 274.273 1.565 20 5 CDBDHM CC(C)(CC(=O)[O-])NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001590649484 990338917 /nfs/dbraw/zinc/33/89/17/990338917.db2.gz DIFZURHSBLJJEK-UHFFFAOYSA-N -1 3 292.295 1.814 20 5 CDBDHM C[C@H](O)[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593472683 995407647 /nfs/dbraw/zinc/40/76/47/995407647.db2.gz UWINBTYFYHOCMG-JOYOIKCWSA-N -1 3 294.307 1.638 20 5 CDBDHM Cc1cc(S(=O)(=O)[N-]CC(C)C)c(F)cc1[N+](=O)[O-] ZINC000590589422 342577487 /nfs/dbraw/zinc/57/74/87/342577487.db2.gz HNMMJWQFCBMBPF-UHFFFAOYSA-N -1 3 290.316 1.977 20 5 CDBDHM O=C([O-])[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000592421325 342689987 /nfs/dbraw/zinc/68/99/87/342689987.db2.gz CUFRSJVAKVFSFG-BDAKNGLRSA-N -1 3 270.310 1.999 20 5 CDBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CN1CCOCC1 ZINC000596133192 343238820 /nfs/dbraw/zinc/23/88/20/343238820.db2.gz FGKVXZUDBCQGHR-JTQLQIEISA-N -1 3 296.327 1.076 20 5 CDBDHM CS[C@@H](CO)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596133881 343239432 /nfs/dbraw/zinc/23/94/32/343239432.db2.gz AOVUJHUTNQCBBK-SVRRBLITSA-N -1 3 273.314 1.220 20 5 CDBDHM CCC[C@@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596122952 343248566 /nfs/dbraw/zinc/24/85/66/343248566.db2.gz LGCXFBPXSWJXRQ-LLVKDONJSA-N -1 3 255.274 1.658 20 5 CDBDHM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C ZINC000437002567 362250112 /nfs/dbraw/zinc/25/01/12/362250112.db2.gz SXHWOLABEFQKEQ-NXEZZACHSA-N -1 3 293.323 1.513 20 5 CDBDHM CCCn1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)nn1 ZINC000611227517 346697410 /nfs/dbraw/zinc/69/74/10/346697410.db2.gz IHCSAXAYCUDPAU-UHFFFAOYSA-N -1 3 293.258 1.988 20 5 CDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000048665441 357193773 /nfs/dbraw/zinc/19/37/73/357193773.db2.gz YJVGGFOAXJKURH-SSDOTTSWSA-N -1 3 288.300 1.811 20 5 CDBDHM COc1cc(C(=O)[N-]c2nc(C)no2)cc([N+](=O)[O-])c1C ZINC000189145781 357975846 /nfs/dbraw/zinc/97/58/46/357975846.db2.gz KQIKUHXSEVBSNU-UHFFFAOYSA-N -1 3 292.251 1.856 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)cc1 ZINC000339126110 359296652 /nfs/dbraw/zinc/29/66/52/359296652.db2.gz FPUFWSJVRYFDLY-GHMZBOCLSA-N -1 3 288.300 1.764 20 5 CDBDHM COc1cc(CNCCSC)c([N+](=O)[O-])cc1[O-] ZINC000237146152 364085563 /nfs/dbraw/zinc/08/55/63/364085563.db2.gz KVRRATNFZITHGM-UHFFFAOYSA-N -1 3 272.326 1.762 20 5 CDBDHM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000272602789 367782545 /nfs/dbraw/zinc/78/25/45/367782545.db2.gz XVKFLXXMUZODGB-VIFPVBQESA-N -1 3 293.323 1.513 20 5 CDBDHM CN(C[C@@H]1CCCN1C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211417974 373936890 /nfs/dbraw/zinc/93/68/90/373936890.db2.gz RRAMJEYKOYBHEF-NSHDSACASA-N -1 3 293.323 1.823 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ncc[nH]1 ZINC000080624210 374474511 /nfs/dbraw/zinc/47/45/11/374474511.db2.gz BSPFMTGGAXBFPD-UHFFFAOYSA-N -1 3 296.308 1.105 20 5 CDBDHM CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331241996 374913313 /nfs/dbraw/zinc/91/33/13/374913313.db2.gz NULDXIPSHVDCCT-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM COc1ccc(CN(C)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000054070258 376505947 /nfs/dbraw/zinc/50/59/47/376505947.db2.gz XNUDFFPAYWQVKE-MRVPVSSYSA-N -1 3 268.269 1.508 20 5 CDBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]O[C@H]1CCOC1 ZINC000492473708 253227644 /nfs/dbraw/zinc/22/76/44/253227644.db2.gz NQIVILQWJIYZJP-UXONFWTHSA-N -1 3 278.264 1.445 20 5 CDBDHM CC(F)(F)C(=O)[N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000289282499 197283631 /nfs/dbraw/zinc/28/36/31/197283631.db2.gz SSWVLVACIVEAKR-UHFFFAOYSA-N -1 3 284.222 1.743 20 5 CDBDHM O=C(Nc1nc(C2CC2)c[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000288667136 197140079 /nfs/dbraw/zinc/14/00/79/197140079.db2.gz CBXLQQNOOZCLTK-UHFFFAOYSA-N -1 3 289.251 1.548 20 5 CDBDHM CSc1cccc(C(=O)[N-]c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000188171553 390950513 /nfs/dbraw/zinc/95/05/13/390950513.db2.gz LWLIXOUZOUUEJF-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CN1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000134183642 391941425 /nfs/dbraw/zinc/94/14/25/391941425.db2.gz BGEJAMWCNSRMSL-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM Cc1cc(Sc2nnc(CO)[n-]2)ncc1[N+](=O)[O-] ZINC000526074544 392946023 /nfs/dbraw/zinc/94/60/23/392946023.db2.gz OJEICDIGXYURIQ-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1cc(Sc2n[n-]c(CO)n2)ncc1[N+](=O)[O-] ZINC000526074544 392946027 /nfs/dbraw/zinc/94/60/27/392946027.db2.gz OJEICDIGXYURIQ-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM O=C([N-]c1nc2c(s1)COCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000343251670 152086016 /nfs/dbraw/zinc/08/60/16/152086016.db2.gz OAAYRAIZHFDISP-UHFFFAOYSA-N -1 3 295.280 1.099 20 5 CDBDHM Cc1ncc(CNC(=O)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000345119577 152741067 /nfs/dbraw/zinc/74/10/67/152741067.db2.gz GFCVQXBATVCVJS-UHFFFAOYSA-N -1 3 288.263 1.329 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1CC(=O)[O-] ZINC000038027338 174013083 /nfs/dbraw/zinc/01/30/83/174013083.db2.gz RKBLHWVIRMUGHU-LLVKDONJSA-N -1 3 296.327 1.429 20 5 CDBDHM COCCCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591414571 1173650297 /nfs/dbraw/zinc/65/02/97/1173650297.db2.gz RWJZACGNYADWRX-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM COCCCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591414571 1173650300 /nfs/dbraw/zinc/65/03/00/1173650300.db2.gz RWJZACGNYADWRX-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM Cc1cc(N2CCc3c(nc[n-]c3=O)C2)ccc1[N+](=O)[O-] ZINC000576903432 317228842 /nfs/dbraw/zinc/22/88/42/317228842.db2.gz GYQPOZOYMIZQAA-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM CC(C)n1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000581765192 324831896 /nfs/dbraw/zinc/83/18/96/324831896.db2.gz HMAHRWSMMCXVNW-UHFFFAOYSA-N -1 3 291.267 1.725 20 5 CDBDHM Cc1nonc1C(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000733874512 575141074 /nfs/dbraw/zinc/14/10/74/575141074.db2.gz XAYCFXLCXNBPJJ-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM Cc1nnc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1C ZINC000753125640 577147492 /nfs/dbraw/zinc/14/74/92/577147492.db2.gz DFOIVPCNZIQNCT-UHFFFAOYSA-N -1 3 293.258 1.732 20 5 CDBDHM CC(C)CONc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824271547 608373691 /nfs/dbraw/zinc/37/36/91/608373691.db2.gz OPIJOZVMKBRLIM-UHFFFAOYSA-N -1 3 278.272 1.774 20 5 CDBDHM CC(C)CONc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824271547 608373693 /nfs/dbraw/zinc/37/36/93/608373693.db2.gz OPIJOZVMKBRLIM-UHFFFAOYSA-N -1 3 278.272 1.774 20 5 CDBDHM C[C@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590275454 1173337325 /nfs/dbraw/zinc/33/73/25/1173337325.db2.gz CEIKBYMLBOKYII-QMMMGPOBSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590275454 1173337331 /nfs/dbraw/zinc/33/73/31/1173337331.db2.gz CEIKBYMLBOKYII-QMMMGPOBSA-N -1 3 274.284 1.621 20 5 CDBDHM CCN(CC)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590688358 1173492490 /nfs/dbraw/zinc/49/24/90/1173492490.db2.gz FMXHJXBKWNOEMA-UHFFFAOYSA-N -1 3 262.273 1.621 20 5 CDBDHM COC[C@@H](C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591373596 1173633414 /nfs/dbraw/zinc/63/34/14/1173633414.db2.gz LRIPMJAJFFEASQ-QMMMGPOBSA-N -1 3 292.299 1.469 20 5 CDBDHM CSCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001591701377 1173690248 /nfs/dbraw/zinc/69/02/48/1173690248.db2.gz PABCQMIUYJZMNP-UHFFFAOYSA-N -1 3 295.328 1.132 20 5 CDBDHM CSCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001591701377 1173690252 /nfs/dbraw/zinc/69/02/52/1173690252.db2.gz PABCQMIUYJZMNP-UHFFFAOYSA-N -1 3 295.328 1.132 20 5 CDBDHM O=[N+]([O-])c1ccnn1CCc1ccc(-c2nnn[n-]2)cc1 ZINC001593487125 1174083963 /nfs/dbraw/zinc/08/39/63/1174083963.db2.gz VGDFHVBQUKIBLZ-UHFFFAOYSA-N -1 3 285.267 1.214 20 5 CDBDHM O=[N+]([O-])c1ccnn1CCc1ccc(-c2nn[n-]n2)cc1 ZINC001593487125 1174083971 /nfs/dbraw/zinc/08/39/71/1174083971.db2.gz VGDFHVBQUKIBLZ-UHFFFAOYSA-N -1 3 285.267 1.214 20 5 CDBDHM Cc1noc(C)c1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853153256 741836983 /nfs/dbraw/zinc/83/69/83/741836983.db2.gz JQVOUTLAAAWXQX-UHFFFAOYSA-N -1 3 278.268 1.937 20 5 CDBDHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000836893677 740613125 /nfs/dbraw/zinc/61/31/25/740613125.db2.gz YLWCHGYFPJXCLQ-CYBMUJFWSA-N -1 3 296.323 1.592 20 5 CDBDHM O=C(Nc1nccn1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000839938907 741231593 /nfs/dbraw/zinc/23/15/93/741231593.db2.gz GQXQNUSYNOCZBX-UHFFFAOYSA-N -1 3 289.251 1.479 20 5 CDBDHM Nc1[nH]c(=O)[n-]c(=O)c1Nc1cccc([N+](=O)[O-])c1 ZINC001204415301 893973143 /nfs/dbraw/zinc/97/31/43/893973143.db2.gz HIWREBZVWJARMN-UHFFFAOYSA-N -1 3 263.213 1.122 20 5 CDBDHM CC1=C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC(=O)O1 ZINC001225666354 903640062 /nfs/dbraw/zinc/64/00/62/903640062.db2.gz HJVACINEDPUKAX-ZETCQYMHSA-N -1 3 266.209 1.294 20 5 CDBDHM CC(C)CC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099919673 936819110 /nfs/dbraw/zinc/81/91/10/936819110.db2.gz SUALDLWPPSXGHY-UHFFFAOYSA-N -1 3 296.327 1.294 20 5 CDBDHM CC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001103387575 937139425 /nfs/dbraw/zinc/13/94/25/937139425.db2.gz FIJBCZQUNVOEPZ-UHFFFAOYSA-N -1 3 294.311 1.556 20 5 CDBDHM CN1CCC(Oc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001225488738 941868341 /nfs/dbraw/zinc/86/83/41/941868341.db2.gz KFNAKELSAJWWMZ-UHFFFAOYSA-N -1 3 252.270 1.773 20 5 CDBDHM CCC[C@H](CC(=O)OC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666451 941897222 /nfs/dbraw/zinc/89/72/22/941897222.db2.gz IZGMMKSTVQXWAN-MRVPVSSYSA-N -1 3 284.268 1.806 20 5 CDBDHM COC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693345 942204593 /nfs/dbraw/zinc/20/45/93/942204593.db2.gz TYYIKEQFUIQSBY-LURJTMIESA-N -1 3 252.230 1.280 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCOC[C@@H]3F)[n-]c2c1 ZINC001227743635 942216524 /nfs/dbraw/zinc/21/65/24/942216524.db2.gz WDYSJCYNKKQHAD-KWQFWETISA-N -1 3 281.243 1.977 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCOC[C@@H]3F)nc2c1 ZINC001227743635 942216528 /nfs/dbraw/zinc/21/65/28/942216528.db2.gz WDYSJCYNKKQHAD-KWQFWETISA-N -1 3 281.243 1.977 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3COCO3)[n-]c2c1 ZINC001227745355 942217952 /nfs/dbraw/zinc/21/79/52/942217952.db2.gz MKGJHMUFSQDVKZ-QMMMGPOBSA-N -1 3 265.225 1.223 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3COCO3)nc2c1 ZINC001227745355 942217956 /nfs/dbraw/zinc/21/79/56/942217956.db2.gz MKGJHMUFSQDVKZ-QMMMGPOBSA-N -1 3 265.225 1.223 20 5 CDBDHM Cc1n[n-]c(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC001327857102 955081817 /nfs/dbraw/zinc/08/18/17/955081817.db2.gz SDKROJLJTWQYOD-UHFFFAOYSA-N -1 3 296.308 1.304 20 5 CDBDHM Cc1nnc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)[n-]1 ZINC001327857102 955081821 /nfs/dbraw/zinc/08/18/21/955081821.db2.gz SDKROJLJTWQYOD-UHFFFAOYSA-N -1 3 296.308 1.304 20 5 CDBDHM Cc1nc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC001327857102 955081832 /nfs/dbraw/zinc/08/18/32/955081832.db2.gz SDKROJLJTWQYOD-UHFFFAOYSA-N -1 3 296.308 1.304 20 5 CDBDHM CCOCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604431091 1163186814 /nfs/dbraw/zinc/18/68/14/1163186814.db2.gz POSAYLXBHHOZCY-UHFFFAOYSA-N -1 3 292.299 1.613 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCSCC1 ZINC001593480325 1174084818 /nfs/dbraw/zinc/08/48/18/1174084818.db2.gz JIKAVGXXOGNNIV-UHFFFAOYSA-N -1 3 292.324 1.328 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCSCC1 ZINC001593480325 1174084825 /nfs/dbraw/zinc/08/48/25/1174084825.db2.gz JIKAVGXXOGNNIV-UHFFFAOYSA-N -1 3 292.324 1.328 20 5 CDBDHM O=C([N-]c1nc2c(s1)CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000535004326 282218117 /nfs/dbraw/zinc/21/81/17/282218117.db2.gz ZYCQJXRZIULLHT-UHFFFAOYSA-N -1 3 279.281 1.515 20 5 CDBDHM Nc1nc(NCc2ccc([O-])c(F)c2)ncc1[N+](=O)[O-] ZINC000078020257 342332974 /nfs/dbraw/zinc/33/29/74/342332974.db2.gz RMWUIRZUSDWHBX-UHFFFAOYSA-N -1 3 279.231 1.424 20 5 CDBDHM CSC[C@@H](CCO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596143685 343242465 /nfs/dbraw/zinc/24/24/65/343242465.db2.gz GJQNLAGGNSRGAC-SSDOTTSWSA-N -1 3 273.314 1.221 20 5 CDBDHM CN(C[C@H]1CCCC[C@@H]1O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596188292 343252445 /nfs/dbraw/zinc/25/24/45/343252445.db2.gz VNTIOFPTSQECNT-KOLCDFICSA-N -1 3 281.312 1.683 20 5 CDBDHM CC(C)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596188601 343252512 /nfs/dbraw/zinc/25/25/12/343252512.db2.gz YSUXKIYBDKBGGD-JTQLQIEISA-N -1 3 267.285 1.557 20 5 CDBDHM O=c1[n-]ccc(NC[C@H](O)C2CCC2)c1[N+](=O)[O-] ZINC000596261624 343278079 /nfs/dbraw/zinc/27/80/79/343278079.db2.gz GPELXZHTSNXNDY-VIFPVBQESA-N -1 3 253.258 1.268 20 5 CDBDHM CC(C)(C)n1nnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596299226 343291688 /nfs/dbraw/zinc/29/16/88/343291688.db2.gz PWWDGVNCTGWPTD-UHFFFAOYSA-N -1 3 293.287 1.049 20 5 CDBDHM COC(=O)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596505733 343338355 /nfs/dbraw/zinc/33/83/55/343338355.db2.gz PNPRNQPEYGLSPH-UHFFFAOYSA-N -1 3 269.257 1.085 20 5 CDBDHM O=C([O-])[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000003750246 362256139 /nfs/dbraw/zinc/25/61/39/362256139.db2.gz ZLOBQXWGARMELH-NSHDSACASA-N -1 3 264.281 1.891 20 5 CDBDHM CSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613469400 347747347 /nfs/dbraw/zinc/74/73/47/347747347.db2.gz HQWYGGPXTVITBI-UHFFFAOYSA-N -1 3 296.395 1.606 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C(C)C)c([N+](=O)[O-])c1 ZINC000078470702 350816589 /nfs/dbraw/zinc/81/65/89/350816589.db2.gz VOMGPSZPNBLZJW-UHFFFAOYSA-N -1 3 258.299 1.590 20 5 CDBDHM COC(=O)c1[n-]cnc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000559243849 356395933 /nfs/dbraw/zinc/39/59/33/356395933.db2.gz UPTRUBYRJUMTKW-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM COC(=O)c1nc[n-]c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000559243849 356395936 /nfs/dbraw/zinc/39/59/36/356395936.db2.gz UPTRUBYRJUMTKW-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)Cc1ccon1 ZINC000360720431 357674720 /nfs/dbraw/zinc/67/47/20/357674720.db2.gz YTOZXAGGPCBBKY-UHFFFAOYSA-N -1 3 297.292 1.202 20 5 CDBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451821231 359083924 /nfs/dbraw/zinc/08/39/24/359083924.db2.gz CKPWTHKNOZMKKG-ZJUUUORDSA-N -1 3 284.337 1.919 20 5 CDBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339623260 359418096 /nfs/dbraw/zinc/41/80/96/359418096.db2.gz MUURQGOXWUQGSS-PHIMTYICSA-N -1 3 279.340 1.825 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]OC(C)(C)CO)c1 ZINC000297357824 200160973 /nfs/dbraw/zinc/16/09/73/200160973.db2.gz YSMNVFXHJXMXTC-UHFFFAOYSA-N -1 3 298.295 1.426 20 5 CDBDHM CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000179478389 189196908 /nfs/dbraw/zinc/19/69/08/189196908.db2.gz NRSTYQAPUYFOAV-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sn1 ZINC000193666770 372052274 /nfs/dbraw/zinc/05/22/74/372052274.db2.gz VLCRCDHGLSSNEF-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM Cc1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000010555359 374378161 /nfs/dbraw/zinc/37/81/61/374378161.db2.gz GHIZXXMWACJCDN-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331564352 374972712 /nfs/dbraw/zinc/97/27/12/374972712.db2.gz UDQAYVKXGOZDMG-SECBINFHSA-N -1 3 291.307 1.267 20 5 CDBDHM C[C@@H](CN(C)c1ncc([N+](=O)[O-])cc1Cl)c1nnn[n-]1 ZINC000132909046 375633467 /nfs/dbraw/zinc/63/34/67/375633467.db2.gz NDFZCHPLSAWUBT-LURJTMIESA-N -1 3 297.706 1.396 20 5 CDBDHM C[C@@H](CN(C)c1ncc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000132909046 375633470 /nfs/dbraw/zinc/63/34/70/375633470.db2.gz NDFZCHPLSAWUBT-LURJTMIESA-N -1 3 297.706 1.396 20 5 CDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000427137382 247099232 /nfs/dbraw/zinc/09/92/32/247099232.db2.gz QQSCJORGDMUJBL-UHFFFAOYSA-N -1 3 296.264 1.418 20 5 CDBDHM COCCCO[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000288229526 197032181 /nfs/dbraw/zinc/03/21/81/197032181.db2.gz PUTSTNHKPZOBCN-UHFFFAOYSA-N -1 3 288.687 1.946 20 5 CDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCF)cc1C ZINC000134510942 390206619 /nfs/dbraw/zinc/20/66/19/390206619.db2.gz TXEVAPUMSNDSBX-UHFFFAOYSA-N -1 3 290.316 1.850 20 5 CDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000440375164 391336781 /nfs/dbraw/zinc/33/67/81/391336781.db2.gz MVJFMOPBFCIJMN-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C)cc1[O-] ZINC000066042578 392921384 /nfs/dbraw/zinc/92/13/84/392921384.db2.gz MZFPGRWNTNVSPQ-UHFFFAOYSA-N -1 3 290.279 1.752 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CNCCC(=O)[O-] ZINC000261681905 140374353 /nfs/dbraw/zinc/37/43/53/140374353.db2.gz AIPMGYRQNMUADH-UHFFFAOYSA-N -1 3 268.269 1.558 20 5 CDBDHM CSc1nnc(NC(=O)Cc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000359215973 158166527 /nfs/dbraw/zinc/16/65/27/158166527.db2.gz AFOOSOAGWIHEHV-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM CSc1n[n-]c(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000359215973 158166529 /nfs/dbraw/zinc/16/65/29/158166529.db2.gz AFOOSOAGWIHEHV-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM CSc1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000359215973 158166530 /nfs/dbraw/zinc/16/65/30/158166530.db2.gz AFOOSOAGWIHEHV-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM CCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151395272 289091440 /nfs/dbraw/zinc/09/14/40/289091440.db2.gz IQMQEEAUKLTYLU-UHFFFAOYSA-N -1 3 295.339 1.762 20 5 CDBDHM CSc1cc(O)ccc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000574501968 295008889 /nfs/dbraw/zinc/00/88/89/295008889.db2.gz BFDJCVJQIIHUBU-UHFFFAOYSA-N -1 3 294.292 1.998 20 5 CDBDHM O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000350524295 316170525 /nfs/dbraw/zinc/17/05/25/316170525.db2.gz MAUVSNZSSRYNDO-UHFFFAOYSA-N -1 3 297.234 1.911 20 5 CDBDHM COc1cc(CN2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000576353099 317124045 /nfs/dbraw/zinc/12/40/45/317124045.db2.gz QGYRRTKWGYLCAR-NSHDSACASA-N -1 3 280.280 1.652 20 5 CDBDHM CC(C)(C(=O)Nc1ncccc1[O-])n1cc([N+](=O)[O-])cn1 ZINC000341903802 534384540 /nfs/dbraw/zinc/38/45/40/534384540.db2.gz SRWPIUJOENCECB-UHFFFAOYSA-N -1 3 291.267 1.266 20 5 CDBDHM COCCN(CC(=O)[O-])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000049607325 523665390 /nfs/dbraw/zinc/66/53/90/523665390.db2.gz SRZUNNFRPOJVJQ-UHFFFAOYSA-N -1 3 298.295 1.136 20 5 CDBDHM CCc1ccc(C(=O)[N-]N2CCCC2=O)cc1[N+](=O)[O-] ZINC000770539481 575462399 /nfs/dbraw/zinc/46/23/99/575462399.db2.gz ZIQHFGSHGYTVLE-UHFFFAOYSA-N -1 3 277.280 1.424 20 5 CDBDHM C[C@@H](CO)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736037201 575553002 /nfs/dbraw/zinc/55/30/02/575553002.db2.gz KGTXFWNGWFHGRU-JGVFFNPUSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H](CO)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736037201 575553007 /nfs/dbraw/zinc/55/30/07/575553007.db2.gz KGTXFWNGWFHGRU-JGVFFNPUSA-N -1 3 292.299 1.204 20 5 CDBDHM O=C([N-]OCC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000760143677 576460884 /nfs/dbraw/zinc/46/08/84/576460884.db2.gz HCXHPGYMAVIGAT-UHFFFAOYSA-N -1 3 264.159 1.660 20 5 CDBDHM C[C@H](CCO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820248939 599100325 /nfs/dbraw/zinc/10/03/25/599100325.db2.gz PRKVOHZTBUZGIW-MRVPVSSYSA-N -1 3 292.299 1.205 20 5 CDBDHM C[C@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820248939 599100326 /nfs/dbraw/zinc/10/03/26/599100326.db2.gz PRKVOHZTBUZGIW-MRVPVSSYSA-N -1 3 292.299 1.205 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc[nH]1 ZINC000826497299 608540638 /nfs/dbraw/zinc/54/06/38/608540638.db2.gz BQOXDEPVMSEVFN-UHFFFAOYSA-N -1 3 299.294 1.758 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccc[nH]1 ZINC000826497299 608540640 /nfs/dbraw/zinc/54/06/40/608540640.db2.gz BQOXDEPVMSEVFN-UHFFFAOYSA-N -1 3 299.294 1.758 20 5 CDBDHM CC[C@H](C)N(CC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC000903401579 625988291 /nfs/dbraw/zinc/98/82/91/625988291.db2.gz SRHBEVMYGIOBPW-VIFPVBQESA-N -1 3 267.285 1.675 20 5 CDBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1Cn1cc([N+](=O)[O-])cn1 ZINC001605525197 1163597067 /nfs/dbraw/zinc/59/70/67/1163597067.db2.gz DKIKFBSJKRYXAS-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1Cn1cc([N+](=O)[O-])cn1 ZINC001605525197 1163597070 /nfs/dbraw/zinc/59/70/70/1163597070.db2.gz DKIKFBSJKRYXAS-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM CC12CC(C1)CN2c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590152128 1173275952 /nfs/dbraw/zinc/27/59/52/1173275952.db2.gz BWWMOMIKGXWZSY-UHFFFAOYSA-N -1 3 286.295 1.764 20 5 CDBDHM CC12CC(C1)CN2c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590152128 1173275969 /nfs/dbraw/zinc/27/59/69/1173275969.db2.gz BWWMOMIKGXWZSY-UHFFFAOYSA-N -1 3 286.295 1.764 20 5 CDBDHM C[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590262015 1173327230 /nfs/dbraw/zinc/32/72/30/1173327230.db2.gz SUNDLSODTLHOOJ-MRVPVSSYSA-N -1 3 289.299 1.406 20 5 CDBDHM C[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590262015 1173327236 /nfs/dbraw/zinc/32/72/36/1173327236.db2.gz SUNDLSODTLHOOJ-MRVPVSSYSA-N -1 3 289.299 1.406 20 5 CDBDHM C[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590276432 1173337022 /nfs/dbraw/zinc/33/70/22/1173337022.db2.gz NVCRPDVBPQTZBO-SSDOTTSWSA-N -1 3 292.274 1.760 20 5 CDBDHM C[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590276432 1173337031 /nfs/dbraw/zinc/33/70/31/1173337031.db2.gz NVCRPDVBPQTZBO-SSDOTTSWSA-N -1 3 292.274 1.760 20 5 CDBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001590312365 1173346402 /nfs/dbraw/zinc/34/64/02/1173346402.db2.gz IMINLVGGHSKFOZ-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001590312365 1173346406 /nfs/dbraw/zinc/34/64/06/1173346406.db2.gz IMINLVGGHSKFOZ-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM CC[C@@H](O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590476365 1173428030 /nfs/dbraw/zinc/42/80/30/1173428030.db2.gz GNUMHEDLMLKUBV-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@H](O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590476365 1173428034 /nfs/dbraw/zinc/42/80/34/1173428034.db2.gz GNUMHEDLMLKUBV-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM Cc1cc(-n2ccnc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591903432 1173743546 /nfs/dbraw/zinc/74/35/46/1173743546.db2.gz LDWVAOSXZOLRDF-UHFFFAOYSA-N -1 3 271.240 1.269 20 5 CDBDHM Cc1cc(-n2ccnc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591903432 1173743552 /nfs/dbraw/zinc/74/35/52/1173743552.db2.gz LDWVAOSXZOLRDF-UHFFFAOYSA-N -1 3 271.240 1.269 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(N2CC=CCC2)c1-c1nnn[n-]1 ZINC001592756865 1173985323 /nfs/dbraw/zinc/98/53/23/1173985323.db2.gz MYXBZQGYFJVSNN-UHFFFAOYSA-N -1 3 287.283 1.123 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(N2CC=CCC2)c1-c1nn[n-]n1 ZINC001592756865 1173985328 /nfs/dbraw/zinc/98/53/28/1173985328.db2.gz MYXBZQGYFJVSNN-UHFFFAOYSA-N -1 3 287.283 1.123 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1CCOC1 ZINC001593469207 1174078714 /nfs/dbraw/zinc/07/87/14/1174078714.db2.gz TVTKXIBWNHGGKP-LURJTMIESA-N -1 3 294.246 1.115 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1CCOC1 ZINC001593469207 1174078721 /nfs/dbraw/zinc/07/87/21/1174078721.db2.gz TVTKXIBWNHGGKP-LURJTMIESA-N -1 3 294.246 1.115 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC/C=C\Cl ZINC001593471859 1174083010 /nfs/dbraw/zinc/08/30/10/1174083010.db2.gz VKGARCJMWAUGBS-UPHRSURJSA-N -1 3 281.663 1.334 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC/C=C\Cl ZINC001593471859 1174083013 /nfs/dbraw/zinc/08/30/13/1174083013.db2.gz VKGARCJMWAUGBS-UPHRSURJSA-N -1 3 281.663 1.334 20 5 CDBDHM Cn1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c([N+](=O)[O-])n1 ZINC001600952598 1174676324 /nfs/dbraw/zinc/67/63/24/1174676324.db2.gz ZPLCPGOSTZWYOA-JTQLQIEISA-N -1 3 294.311 1.015 20 5 CDBDHM CCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059127577 745455403 /nfs/dbraw/zinc/45/54/03/745455403.db2.gz PKOHHWHXSRJCGO-ZKCHVHJHSA-N -1 3 280.284 1.165 20 5 CDBDHM CC(C)(CCC(=O)[N-]OCCC(F)(F)F)[N+](=O)[O-] ZINC000829058322 747092841 /nfs/dbraw/zinc/09/28/41/747092841.db2.gz GJCCOOUITZFXGZ-UHFFFAOYSA-N -1 3 272.223 1.822 20 5 CDBDHM O=[N+]([O-])c1cnc([N-][C@H](CCO)C(F)(F)F)s1 ZINC000884835384 748327009 /nfs/dbraw/zinc/32/70/09/748327009.db2.gz QMHPNSCLSLACKS-SCSAIBSYSA-N -1 3 271.220 1.777 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC/C=C/Cl ZINC001593469776 1167751964 /nfs/dbraw/zinc/75/19/64/1167751964.db2.gz ABAVANLGSHOWQH-DAFODLJHSA-N -1 3 280.675 1.939 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC/C=C/Cl ZINC001593469776 1167751977 /nfs/dbraw/zinc/75/19/77/1167751977.db2.gz ABAVANLGSHOWQH-DAFODLJHSA-N -1 3 280.675 1.939 20 5 CDBDHM CN(C)c1nccnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814119 925876674 /nfs/dbraw/zinc/87/66/74/925876674.db2.gz FUKSQBJXQMKOLX-UHFFFAOYSA-N -1 3 275.268 1.900 20 5 CDBDHM O=C(NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C1CC1 ZINC001110048741 929123892 /nfs/dbraw/zinc/12/38/92/929123892.db2.gz UXHURKJFKMMACD-UHFFFAOYSA-N -1 3 292.295 1.166 20 5 CDBDHM Cc1ncc(Nc2cc([N+](=O)[O-])cc(Cl)n2)c(=O)[n-]1 ZINC001162298500 938973859 /nfs/dbraw/zinc/97/38/59/938973859.db2.gz QYASIMGPJCNHAR-SSDOTTSWSA-N -1 3 281.659 1.453 20 5 CDBDHM COc1cc(C)nc(Nc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC001162300258 938974577 /nfs/dbraw/zinc/97/45/77/938974577.db2.gz HMYSDABDRREWKV-MRVPVSSYSA-N -1 3 291.267 1.117 20 5 CDBDHM Cc1nc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(=O)[n-]1 ZINC001226510769 942017290 /nfs/dbraw/zinc/01/72/90/942017290.db2.gz POMLOMYIDFJGBL-LBPRGKRZSA-N -1 3 287.275 1.945 20 5 CDBDHM O=C1OCC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745747 942218042 /nfs/dbraw/zinc/21/80/42/942218042.db2.gz NZRVYWDTKBKOGD-VIFPVBQESA-N -1 3 263.209 1.165 20 5 CDBDHM O=C1OCC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745747 942218046 /nfs/dbraw/zinc/21/80/46/942218046.db2.gz NZRVYWDTKBKOGD-VIFPVBQESA-N -1 3 263.209 1.165 20 5 CDBDHM O=C([O-])[C@@H]1CC12CCN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC001262161657 946478950 /nfs/dbraw/zinc/47/89/50/946478950.db2.gz QCEGRCTYMIITRS-NSHDSACASA-N -1 3 291.307 1.677 20 5 CDBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc(C2CCOCC2)o1 ZINC001255704375 948081123 /nfs/dbraw/zinc/08/11/23/948081123.db2.gz AURGVCSRQDQULJ-UHFFFAOYSA-N -1 3 292.251 1.639 20 5 CDBDHM C[C@@H](CN(C)C)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000168879009 342073841 /nfs/dbraw/zinc/07/38/41/342073841.db2.gz XXCJTMPFUSUZJW-QMMMGPOBSA-N -1 3 267.285 1.655 20 5 CDBDHM C[C@@H]1[C@@H](C(=O)[O-])CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000593751417 342832554 /nfs/dbraw/zinc/83/25/54/342832554.db2.gz ZXJYODLDGSRMSK-MNOVXSKESA-N -1 3 294.307 1.769 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)C(=O)[O-] ZINC000594541143 342915540 /nfs/dbraw/zinc/91/55/40/342915540.db2.gz PSZKFHHGUUCRCN-VIFPVBQESA-N -1 3 282.296 1.804 20 5 CDBDHM CCn1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])n1 ZINC000594968158 342991433 /nfs/dbraw/zinc/99/14/33/342991433.db2.gz DZOGNDAGQZCTBJ-UHFFFAOYSA-N -1 3 292.295 1.559 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596047833 343218224 /nfs/dbraw/zinc/21/82/24/343218224.db2.gz BKQMGUADMVHEFJ-OCAPTIKFSA-N -1 3 253.258 1.309 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000596112605 343230301 /nfs/dbraw/zinc/23/03/01/343230301.db2.gz BVAVJPRRDGJXGX-SECBINFHSA-N -1 3 267.285 1.294 20 5 CDBDHM CCO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1OC ZINC000596192864 343253647 /nfs/dbraw/zinc/25/36/47/343253647.db2.gz WJPGHTRGHHEEBE-NGZCFLSTSA-N -1 3 283.284 1.300 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H]3OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596287430 343288780 /nfs/dbraw/zinc/28/87/80/343288780.db2.gz SCVLBPMETLYGJG-SCZZXKLOSA-N -1 3 265.269 1.311 20 5 CDBDHM CCCN1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596205681 343265693 /nfs/dbraw/zinc/26/56/93/343265693.db2.gz FSXRZDCGXIDTMK-UHFFFAOYSA-N -1 3 294.311 1.144 20 5 CDBDHM CC(C)(C)OC(=O)C1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596252883 343275180 /nfs/dbraw/zinc/27/51/80/343275180.db2.gz MVVHHDGOVFYUDN-UHFFFAOYSA-N -1 3 295.295 1.473 20 5 CDBDHM CN(CCN1CCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160260794 529908339 /nfs/dbraw/zinc/90/83/39/529908339.db2.gz VKUJWCOUORSWQO-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM Cc1c(CSCCc2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000603339989 344772297 /nfs/dbraw/zinc/77/22/97/344772297.db2.gz QSVCZECOHWCSRY-UHFFFAOYSA-N -1 3 279.325 1.892 20 5 CDBDHM Cc1c(CSCCc2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000603339989 344772298 /nfs/dbraw/zinc/77/22/98/344772298.db2.gz QSVCZECOHWCSRY-UHFFFAOYSA-N -1 3 279.325 1.892 20 5 CDBDHM Cc1cc(SCCc2nnn[n-]2)c(F)cc1[N+](=O)[O-] ZINC000603397716 344798324 /nfs/dbraw/zinc/79/83/24/344798324.db2.gz PQPGXQRMMBEMFL-UHFFFAOYSA-N -1 3 283.288 1.890 20 5 CDBDHM Cc1cc(SCCc2nn[n-]n2)c(F)cc1[N+](=O)[O-] ZINC000603397716 344798326 /nfs/dbraw/zinc/79/83/26/344798326.db2.gz PQPGXQRMMBEMFL-UHFFFAOYSA-N -1 3 283.288 1.890 20 5 CDBDHM COC[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000058561114 348864245 /nfs/dbraw/zinc/86/42/45/348864245.db2.gz VGBOCSNHCDGGTA-VIFPVBQESA-N -1 3 288.325 1.216 20 5 CDBDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000107401647 186172827 /nfs/dbraw/zinc/17/28/27/186172827.db2.gz NTXNWRKDLXTGER-VIFPVBQESA-N -1 3 288.325 1.298 20 5 CDBDHM COCCCO[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000287846477 359130672 /nfs/dbraw/zinc/13/06/72/359130672.db2.gz OJMBRMPMZGSVGH-UHFFFAOYSA-N -1 3 288.687 1.946 20 5 CDBDHM Cc1cc(N(C)C[C@H](C)c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000095331143 360216549 /nfs/dbraw/zinc/21/65/49/360216549.db2.gz KVJTYAYFHODJKD-VIFPVBQESA-N -1 3 276.300 1.656 20 5 CDBDHM Cc1cc(N(C)C[C@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000095331143 360216551 /nfs/dbraw/zinc/21/65/51/360216551.db2.gz KVJTYAYFHODJKD-VIFPVBQESA-N -1 3 276.300 1.656 20 5 CDBDHM O=C([O-])[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178898678 189153763 /nfs/dbraw/zinc/15/37/63/189153763.db2.gz AHKMDUWOIKETEO-SNVBAGLBSA-N -1 3 280.280 1.380 20 5 CDBDHM COc1ccc(CN(C)C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000042705299 363929941 /nfs/dbraw/zinc/92/99/41/363929941.db2.gz TUXOVPGJOZGOPP-VIFPVBQESA-N -1 3 282.296 1.756 20 5 CDBDHM COc1cc(CN[C@H]2CCSC2)c([N+](=O)[O-])cc1[O-] ZINC000271972786 367045975 /nfs/dbraw/zinc/04/59/75/367045975.db2.gz WYNMFHBNWMOQLB-VIFPVBQESA-N -1 3 284.337 1.904 20 5 CDBDHM CC(C)(CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272358920 367696204 /nfs/dbraw/zinc/69/62/04/367696204.db2.gz PNXITUAMTHQQHU-UHFFFAOYSA-N -1 3 288.250 1.574 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000298894490 374253515 /nfs/dbraw/zinc/25/35/15/374253515.db2.gz JTJBRSMHQBXGEU-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM CC(C)n1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000280451795 374996112 /nfs/dbraw/zinc/99/61/12/374996112.db2.gz KWPOGKWXZXUUQI-UHFFFAOYSA-N -1 3 291.267 1.725 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccoc1 ZINC000049001801 375389809 /nfs/dbraw/zinc/38/98/09/375389809.db2.gz LTXYJLHZNHGHJC-UHFFFAOYSA-N -1 3 296.304 1.975 20 5 CDBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OCCCO ZINC000493568336 375465394 /nfs/dbraw/zinc/46/53/94/375465394.db2.gz OFODVSZKMLIAMI-SREVYHEPSA-N -1 3 266.253 1.038 20 5 CDBDHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493350363 375445849 /nfs/dbraw/zinc/44/58/49/375445849.db2.gz IMGUPPNORBHPKI-UJZCVKTISA-N -1 3 294.307 1.673 20 5 CDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000451074682 390592982 /nfs/dbraw/zinc/59/29/82/390592982.db2.gz XTXUOOYZAQWCLE-ZETCQYMHSA-N -1 3 294.279 1.917 20 5 CDBDHM CCO[C@@H]1C[C@H]1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000517069689 390968270 /nfs/dbraw/zinc/96/82/70/390968270.db2.gz DBVVOLZZCUQRER-BXKDBHETSA-N -1 3 282.296 1.576 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC000574281182 391331933 /nfs/dbraw/zinc/33/19/33/391331933.db2.gz QSLXBCYZPOHMRR-LLVKDONJSA-N -1 3 293.323 1.356 20 5 CDBDHM CN(CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)[O-] ZINC000262678007 131250306 /nfs/dbraw/zinc/25/03/06/131250306.db2.gz UZBVMGTZRIUYLJ-UHFFFAOYSA-N -1 3 268.269 1.380 20 5 CDBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000113418669 392876326 /nfs/dbraw/zinc/87/63/26/392876326.db2.gz KGPYOXGACXFTQB-UHFFFAOYSA-N -1 3 286.251 1.755 20 5 CDBDHM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000269310981 132153339 /nfs/dbraw/zinc/15/33/39/132153339.db2.gz YOKGJCNTMIFJSL-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493623607 393216032 /nfs/dbraw/zinc/21/60/32/393216032.db2.gz HCQVYIJNMFXMMW-XQRVVYSFSA-N -1 3 298.270 1.566 20 5 CDBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(O)c1 ZINC000186806843 140070415 /nfs/dbraw/zinc/07/04/15/140070415.db2.gz ITDKNIPGHPGNFO-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM O=C([O-])CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262264869 149042627 /nfs/dbraw/zinc/04/26/27/149042627.db2.gz RVLUVMLVJGFZHE-JTQLQIEISA-N -1 3 294.311 1.341 20 5 CDBDHM CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590365870 1173373292 /nfs/dbraw/zinc/37/32/92/1173373292.db2.gz VENFLGJWISUPGY-UHFFFAOYSA-N -1 3 277.240 1.228 20 5 CDBDHM CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590365870 1173373296 /nfs/dbraw/zinc/37/32/96/1173373296.db2.gz VENFLGJWISUPGY-UHFFFAOYSA-N -1 3 277.240 1.228 20 5 CDBDHM COC(C)(C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591313699 1173602800 /nfs/dbraw/zinc/60/28/00/1173602800.db2.gz FGVKRILMOOFTFI-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM COC[C@H](C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591373767 1173634813 /nfs/dbraw/zinc/63/48/13/1173634813.db2.gz NUSFTJKGJOMLMO-MRVPVSSYSA-N -1 3 292.299 1.469 20 5 CDBDHM COC[C@H](C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591373767 1173634817 /nfs/dbraw/zinc/63/48/17/1173634817.db2.gz NUSFTJKGJOMLMO-MRVPVSSYSA-N -1 3 292.299 1.469 20 5 CDBDHM COCCCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591412746 1173650531 /nfs/dbraw/zinc/65/05/31/1173650531.db2.gz TZYIYEVHKPQXPU-UHFFFAOYSA-N -1 3 293.287 1.008 20 5 CDBDHM COCCCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591412746 1173650533 /nfs/dbraw/zinc/65/05/33/1173650533.db2.gz TZYIYEVHKPQXPU-UHFFFAOYSA-N -1 3 293.287 1.008 20 5 CDBDHM CS[C@@H](C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591689683 1173681221 /nfs/dbraw/zinc/68/12/21/1173681221.db2.gz OBPJLPXWEONNQE-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM CS[C@@H](C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591689683 1173681225 /nfs/dbraw/zinc/68/12/25/1173681225.db2.gz OBPJLPXWEONNQE-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM CC(C)c1n[nH]c(C(=O)[N-]O[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000269316847 535323761 /nfs/dbraw/zinc/32/37/61/535323761.db2.gz AAPFDLNJZYBUNP-QMMMGPOBSA-N -1 3 298.299 1.629 20 5 CDBDHM O=C([O-])[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC001601675631 1174941178 /nfs/dbraw/zinc/94/11/78/1174941178.db2.gz QRVAFWRDJLNCBD-LLVKDONJSA-N -1 3 286.234 1.826 20 5 CDBDHM C[C@@H]1CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000773201377 575790423 /nfs/dbraw/zinc/79/04/23/575790423.db2.gz XZFIAPYALFRQGE-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(NC3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000738367507 576062867 /nfs/dbraw/zinc/06/28/67/576062867.db2.gz SZKBGAUPMNVHBI-UHFFFAOYSA-N -1 3 297.278 1.897 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(NC3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000738367507 576062869 /nfs/dbraw/zinc/06/28/69/576062869.db2.gz SZKBGAUPMNVHBI-UHFFFAOYSA-N -1 3 297.278 1.897 20 5 CDBDHM CC[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820989381 606726453 /nfs/dbraw/zinc/72/64/53/606726453.db2.gz RIBPAIUDHQCRPD-QMMMGPOBSA-N -1 3 289.299 1.406 20 5 CDBDHM CC[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820989381 606726454 /nfs/dbraw/zinc/72/64/54/606726454.db2.gz RIBPAIUDHQCRPD-QMMMGPOBSA-N -1 3 289.299 1.406 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1cccc(-c2nnn[n-]2)c1F ZINC001607085450 1164074346 /nfs/dbraw/zinc/07/43/46/1164074346.db2.gz CMEYFRSPLSPFNM-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1cccc(-c2nn[n-]n2)c1F ZINC001607085450 1164074354 /nfs/dbraw/zinc/07/43/54/1164074354.db2.gz CMEYFRSPLSPFNM-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])[C@H]1C ZINC001590313696 1173352358 /nfs/dbraw/zinc/35/23/58/1173352358.db2.gz OUGQBDDMAUTXGA-SFYZADRCSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[C@H]1C ZINC001590313696 1173352364 /nfs/dbraw/zinc/35/23/64/1173352364.db2.gz OUGQBDDMAUTXGA-SFYZADRCSA-N -1 3 274.284 1.620 20 5 CDBDHM O=[N+]([O-])c1cc(F)ccc1Cn1cc(-c2nnn[n-]2)cn1 ZINC001593470767 1174079184 /nfs/dbraw/zinc/07/91/84/1174079184.db2.gz IPOBTGSFZRLXBE-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cc(F)ccc1Cn1cc(-c2nn[n-]n2)cn1 ZINC001593470767 1174079191 /nfs/dbraw/zinc/07/91/91/1174079191.db2.gz IPOBTGSFZRLXBE-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCF ZINC001593469815 1174079912 /nfs/dbraw/zinc/07/99/12/1174079912.db2.gz ACIYLCWDFBIQDR-UHFFFAOYSA-N -1 3 252.209 1.156 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCF ZINC001593469815 1174079918 /nfs/dbraw/zinc/07/99/18/1174079918.db2.gz ACIYLCWDFBIQDR-UHFFFAOYSA-N -1 3 252.209 1.156 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC[C@@H]1C=CCC1 ZINC001593471545 1174082271 /nfs/dbraw/zinc/08/22/71/1174082271.db2.gz SWTDDVLKWCPGQG-MRVPVSSYSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC[C@@H]1C=CCC1 ZINC001593471545 1174082276 /nfs/dbraw/zinc/08/22/76/1174082276.db2.gz SWTDDVLKWCPGQG-MRVPVSSYSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cccc(Oc2ccncc2-c2nnn[n-]2)c1 ZINC001593483649 1174084084 /nfs/dbraw/zinc/08/40/84/1174084084.db2.gz AHYNIWQVOIJLPB-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM Cn1ncc2c1ncnc2Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802773 925870549 /nfs/dbraw/zinc/87/05/49/925870549.db2.gz YGUSNAKQDQDDLM-UHFFFAOYSA-N -1 3 286.251 1.721 20 5 CDBDHM O=C(C=Cc1cncc([O-])c1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155042467 926448001 /nfs/dbraw/zinc/44/80/01/926448001.db2.gz AANIGUPSGXAFOD-OWOJBTEDSA-N -1 3 275.224 1.070 20 5 CDBDHM CCCC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001096987357 936248516 /nfs/dbraw/zinc/24/85/16/936248516.db2.gz QORKZKGCVXDNSL-KYZUINATSA-N -1 3 294.311 1.555 20 5 CDBDHM COC(=O)c1n[nH]cc1[N-]c1ncc(C)cc1[N+](=O)[O-] ZINC001158632168 938644117 /nfs/dbraw/zinc/64/41/17/938644117.db2.gz NOFPPUROGMMTDS-UHFFFAOYSA-N -1 3 277.240 1.552 20 5 CDBDHM Cc1ncc(Nc2nc(Cl)cc(C)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297340 938973316 /nfs/dbraw/zinc/97/33/16/938973316.db2.gz BFMLWIHILMDMMF-SSDOTTSWSA-N -1 3 295.686 1.762 20 5 CDBDHM Cc1cnc(Nc2cnc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC001162298132 938973762 /nfs/dbraw/zinc/97/37/62/938973762.db2.gz MJELGKHVRLUGHI-MRVPVSSYSA-N -1 3 261.241 1.108 20 5 CDBDHM Cc1c(NCCCc2c[n-][nH]c2=O)cc(F)cc1[N+](=O)[O-] ZINC001164374591 939467357 /nfs/dbraw/zinc/46/73/57/939467357.db2.gz NUUWXKJBALNTPQ-SECBINFHSA-N -1 3 294.286 1.966 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@@H]2CCCCO2)c2[n-]cnc21 ZINC001227689968 942204154 /nfs/dbraw/zinc/20/41/54/942204154.db2.gz DDKPFXIYPTUVTH-QMMMGPOBSA-N -1 3 278.268 1.814 20 5 CDBDHM Cc1cc2[n-]c(O[C@H](C)CON)nc2cc1[N+](=O)[O-] ZINC001228674567 942353639 /nfs/dbraw/zinc/35/36/39/942353639.db2.gz JVWGOZFRVBMGQL-SSDOTTSWSA-N -1 3 266.257 1.437 20 5 CDBDHM Cc1cc2[n-]c(OC[C@H]3COCCO3)nc2cc1[N+](=O)[O-] ZINC001228675671 942353763 /nfs/dbraw/zinc/35/37/63/942353763.db2.gz SHDBAAJIHPPJOZ-SECBINFHSA-N -1 3 293.279 1.574 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@@H]2CCC(=O)O2)c1[N+](=O)[O-] ZINC001228685398 942356531 /nfs/dbraw/zinc/35/65/31/942356531.db2.gz HGSQDMKGVIFAJB-ZETCQYMHSA-N -1 3 268.225 1.088 20 5 CDBDHM CCN1CC(Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231260617 942836099 /nfs/dbraw/zinc/83/60/99/942836099.db2.gz UNFHGCXYYUOUAX-UHFFFAOYSA-N -1 3 253.258 1.087 20 5 CDBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC001317729312 957648115 /nfs/dbraw/zinc/64/81/15/957648115.db2.gz UMMVBONLGZLVJG-UHFFFAOYSA-N -1 3 288.263 1.989 20 5 CDBDHM CC(=O)C1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001339552810 962419448 /nfs/dbraw/zinc/41/94/48/962419448.db2.gz FVXMMXUSSGBQBB-UHFFFAOYSA-N -1 3 298.245 1.924 20 5 CDBDHM O=C([O-])[C@@H]1[C@@H](CNCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000715334197 977744172 /nfs/dbraw/zinc/74/41/72/977744172.db2.gz LRGVYGLAHNNQGZ-SCZZXKLOSA-N -1 3 286.234 1.650 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)c1 ZINC000601195203 342488833 /nfs/dbraw/zinc/48/88/33/342488833.db2.gz HCYQWRWQDIDIEA-SNVBAGLBSA-N -1 3 276.296 1.827 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cocn1 ZINC000609352903 342103860 /nfs/dbraw/zinc/10/38/60/342103860.db2.gz HUEKQOGHVCDLKH-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM COc1cc(CN[C@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000592379612 342687203 /nfs/dbraw/zinc/68/72/03/342687203.db2.gz RMTOEKGZCAPTCT-PSASIEDQSA-N -1 3 282.296 1.576 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)O1 ZINC000596089290 343233959 /nfs/dbraw/zinc/23/39/59/343233959.db2.gz FMWHQMGUWMEFEP-QMMMGPOBSA-N -1 3 267.285 1.699 20 5 CDBDHM CNC(=O)[C@H]1CCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596177577 343261684 /nfs/dbraw/zinc/26/16/84/343261684.db2.gz NDAPWMANTZNMFA-JGVFFNPUSA-N -1 3 280.284 1.022 20 5 CDBDHM C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCN1C ZINC000436824187 362244306 /nfs/dbraw/zinc/24/43/06/362244306.db2.gz ACDSKBYDYZDQJZ-CABZTGNLSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@@](O)(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000565956440 365768167 /nfs/dbraw/zinc/76/81/67/365768167.db2.gz GUEDXNWEEMTKSD-CQSZACIVSA-N -1 3 294.307 1.395 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000536645722 282336527 /nfs/dbraw/zinc/33/65/27/282336527.db2.gz PWAWXFXFRDUSJP-NSHDSACASA-N -1 3 276.296 1.827 20 5 CDBDHM O=[N+]([O-])c1sccc1SCCc1nnn[n-]1 ZINC000603398330 344798835 /nfs/dbraw/zinc/79/88/35/344798835.db2.gz STHHXKSCAQDEJC-UHFFFAOYSA-N -1 3 257.300 1.504 20 5 CDBDHM O=[N+]([O-])c1sccc1SCCc1nn[n-]n1 ZINC000603398330 344798836 /nfs/dbraw/zinc/79/88/36/344798836.db2.gz STHHXKSCAQDEJC-UHFFFAOYSA-N -1 3 257.300 1.504 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000092924430 351300610 /nfs/dbraw/zinc/30/06/10/351300610.db2.gz WVEZNDCJKLZNFL-JOYOIKCWSA-N -1 3 294.307 1.898 20 5 CDBDHM O=C([N-]OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000187899272 357820439 /nfs/dbraw/zinc/82/04/39/357820439.db2.gz MIPDDEOJBGQKJI-ZETCQYMHSA-N -1 3 272.282 1.354 20 5 CDBDHM CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179474889 189196614 /nfs/dbraw/zinc/19/66/14/189196614.db2.gz BBTRJCSBEWULJE-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM CCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000038017743 364286144 /nfs/dbraw/zinc/28/61/44/364286144.db2.gz XCVXFALFJNVCGY-UHFFFAOYSA-N -1 3 268.269 1.510 20 5 CDBDHM C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121417076 364775224 /nfs/dbraw/zinc/77/52/24/364775224.db2.gz YHZAXPYTJNUJBR-DTWKUNHWSA-N -1 3 286.309 1.051 20 5 CDBDHM C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C ZINC000436965731 364982496 /nfs/dbraw/zinc/98/24/96/364982496.db2.gz KDQXFQJGOMHFMV-UWVGGRQHSA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1cnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000010626328 374383316 /nfs/dbraw/zinc/38/33/16/374383316.db2.gz MRHCZRQVUBVMNI-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM O=[N+]([O-])c1cc2ccccc2nc1[N-]c1ccn(CCO)n1 ZINC000530384160 374480441 /nfs/dbraw/zinc/48/04/41/374480441.db2.gz PWTNZYAHQQEJGH-UHFFFAOYSA-N -1 3 299.290 1.497 20 5 CDBDHM Cc1ccc(N(C)C[C@H](C)c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000095339720 374884052 /nfs/dbraw/zinc/88/40/52/374884052.db2.gz CXMFRPDNFOJXFV-VIFPVBQESA-N -1 3 276.300 1.656 20 5 CDBDHM Cc1ccc(N(C)C[C@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000095339720 374884055 /nfs/dbraw/zinc/88/40/55/374884055.db2.gz CXMFRPDNFOJXFV-VIFPVBQESA-N -1 3 276.300 1.656 20 5 CDBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1csc(=O)[n-]1 ZINC000350685357 375224844 /nfs/dbraw/zinc/22/48/44/375224844.db2.gz OQAXIYVQISIQLH-UHFFFAOYSA-N -1 3 293.304 1.729 20 5 CDBDHM Cn1cccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352872998 375548168 /nfs/dbraw/zinc/54/81/68/375548168.db2.gz SBBFKAWSBBLPDB-UHFFFAOYSA-N -1 3 295.320 1.412 20 5 CDBDHM O=C(Nc1nc(C2CC2)c[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000289386129 197323555 /nfs/dbraw/zinc/32/35/55/197323555.db2.gz OVLQDRUCPFKSLU-UHFFFAOYSA-N -1 3 289.251 1.548 20 5 CDBDHM O=C([N-]c1ncccc1OC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000179175693 391770575 /nfs/dbraw/zinc/77/05/75/391770575.db2.gz MCYVFXMAGAJQRX-UHFFFAOYSA-N -1 3 299.193 1.567 20 5 CDBDHM O=C([N-]OC[C@@H]1CCOC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000191811343 130307724 /nfs/dbraw/zinc/30/77/24/130307724.db2.gz QXDNJYUNIYCTFB-MRVPVSSYSA-N -1 3 284.243 1.432 20 5 CDBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]O[C@H]1CCOC1 ZINC000493793741 393221260 /nfs/dbraw/zinc/22/12/60/393221260.db2.gz RDQNSKQJUQEKTK-QRGHLMKCSA-N -1 3 278.264 1.445 20 5 CDBDHM CC(F)(F)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589908472 1173201583 /nfs/dbraw/zinc/20/15/83/1173201583.db2.gz NVTMZNNMBOEXAL-UHFFFAOYSA-N -1 3 284.226 1.842 20 5 CDBDHM C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000225817980 280098065 /nfs/dbraw/zinc/09/80/65/280098065.db2.gz BCKISNSGVVOUNU-UWVGGRQHSA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C(C)C)c1[N+](=O)[O-] ZINC000276834656 301555055 /nfs/dbraw/zinc/55/50/55/301555055.db2.gz OYIRPDGQYSYDPP-UHFFFAOYSA-N -1 3 272.326 1.898 20 5 CDBDHM CC[C@@H](COC)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736352388 575635736 /nfs/dbraw/zinc/63/57/36/575635736.db2.gz LEJISHWKXFKSAD-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM CC[C@@H](COC)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736352388 575635739 /nfs/dbraw/zinc/63/57/39/575635739.db2.gz LEJISHWKXFKSAD-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)[O-] ZINC000820853330 598215961 /nfs/dbraw/zinc/21/59/61/598215961.db2.gz IWZPVKYXZVPWGS-MRVPVSSYSA-N -1 3 268.269 1.556 20 5 CDBDHM CC[C@H](O)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820933251 606879553 /nfs/dbraw/zinc/87/95/53/606879553.db2.gz TYQRYRGRKHSKMG-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@H](O)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820933251 606879554 /nfs/dbraw/zinc/87/95/54/606879554.db2.gz TYQRYRGRKHSKMG-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H]1C[C@@H](C)N1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609156840 1164802347 /nfs/dbraw/zinc/80/23/47/1164802347.db2.gz MLJMZKSCGCYQGM-RNFRBKRXSA-N -1 3 275.272 1.157 20 5 CDBDHM C[C@@H]1C[C@@H](C)N1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609156840 1164802352 /nfs/dbraw/zinc/80/23/52/1164802352.db2.gz MLJMZKSCGCYQGM-RNFRBKRXSA-N -1 3 275.272 1.157 20 5 CDBDHM CO[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609309200 1164891704 /nfs/dbraw/zinc/89/17/04/1164891704.db2.gz WUZFWNKNKCRTPU-MRVPVSSYSA-N -1 3 292.299 1.246 20 5 CDBDHM CC(C)[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589763408 1173175890 /nfs/dbraw/zinc/17/58/90/1173175890.db2.gz JPNSHDJMQYKUCP-WCBMZHEXSA-N -1 3 289.299 1.626 20 5 CDBDHM CC(C)[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589763408 1173175895 /nfs/dbraw/zinc/17/58/95/1173175895.db2.gz JPNSHDJMQYKUCP-WCBMZHEXSA-N -1 3 289.299 1.626 20 5 CDBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001589880712 1173193044 /nfs/dbraw/zinc/19/30/44/1173193044.db2.gz ICPMRCYJLCMVKZ-ZETCQYMHSA-N -1 3 289.299 1.628 20 5 CDBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001589880712 1173193049 /nfs/dbraw/zinc/19/30/49/1173193049.db2.gz ICPMRCYJLCMVKZ-ZETCQYMHSA-N -1 3 289.299 1.628 20 5 CDBDHM CO[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591467772 1173656856 /nfs/dbraw/zinc/65/68/56/1173656856.db2.gz ZTVDJLYCYZRZHJ-ZETCQYMHSA-N -1 3 278.272 1.222 20 5 CDBDHM CO[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591467772 1173656859 /nfs/dbraw/zinc/65/68/59/1173656859.db2.gz ZTVDJLYCYZRZHJ-ZETCQYMHSA-N -1 3 278.272 1.222 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H](F)[C@@H](F)C1 ZINC001593468676 1174080350 /nfs/dbraw/zinc/08/03/50/1174080350.db2.gz QUQIHNJYRALNHN-OCAPTIKFSA-N -1 3 296.237 1.271 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H](F)[C@@H](F)C1 ZINC001593468676 1174080355 /nfs/dbraw/zinc/08/03/55/1174080355.db2.gz QUQIHNJYRALNHN-OCAPTIKFSA-N -1 3 296.237 1.271 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CF)C2)c(-c2nnn[n-]2)c1 ZINC001593476041 1174081668 /nfs/dbraw/zinc/08/16/68/1174081668.db2.gz IUHCSURUNYUTIZ-QMMMGPOBSA-N -1 3 292.274 1.571 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CF)C2)c(-c2nn[n-]n2)c1 ZINC001593476041 1174081675 /nfs/dbraw/zinc/08/16/75/1174081675.db2.gz IUHCSURUNYUTIZ-QMMMGPOBSA-N -1 3 292.274 1.571 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC1CC(F)(F)C1 ZINC001593476031 1174081840 /nfs/dbraw/zinc/08/18/40/1174081840.db2.gz UBCIXRPMKSKFEM-UHFFFAOYSA-N -1 3 296.237 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC1CC(F)(F)C1 ZINC001593476031 1174081845 /nfs/dbraw/zinc/08/18/45/1174081845.db2.gz UBCIXRPMKSKFEM-UHFFFAOYSA-N -1 3 296.237 1.985 20 5 CDBDHM C[C@@H]1C[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603870504 1175661985 /nfs/dbraw/zinc/66/19/85/1175661985.db2.gz IDCMFRRMQPUZBS-SFYZADRCSA-N -1 3 274.284 1.843 20 5 CDBDHM CC[C@H]1CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604110009 1175767489 /nfs/dbraw/zinc/76/74/89/1175767489.db2.gz WZNBVZNIHMWYHM-VIFPVBQESA-N -1 3 274.284 1.764 20 5 CDBDHM CC[C@H]1CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604110009 1175767496 /nfs/dbraw/zinc/76/74/96/1175767496.db2.gz WZNBVZNIHMWYHM-VIFPVBQESA-N -1 3 274.284 1.764 20 5 CDBDHM C[C@H]1CN=C([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])S1 ZINC000868972228 754344952 /nfs/dbraw/zinc/34/49/52/754344952.db2.gz VQXUTORGAHOQDY-LURJTMIESA-N -1 3 283.284 1.955 20 5 CDBDHM CC1(C)OCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC000853478753 755229491 /nfs/dbraw/zinc/22/94/91/755229491.db2.gz WKDADTFMONIJAR-UHFFFAOYSA-N -1 3 269.257 1.259 20 5 CDBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000103255751 758347749 /nfs/dbraw/zinc/34/77/49/758347749.db2.gz DJTNYVMDBMPIAN-UHFFFAOYSA-N -1 3 292.211 1.182 20 5 CDBDHM CC(C)(C)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094409243 910598540 /nfs/dbraw/zinc/59/85/40/910598540.db2.gz OWFMLNRLQUEMAI-UHFFFAOYSA-N -1 3 296.327 1.660 20 5 CDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1(C)CC1 ZINC001102011083 937036251 /nfs/dbraw/zinc/03/62/51/937036251.db2.gz CXNIERDFUNJBKV-UHFFFAOYSA-N -1 3 294.311 1.366 20 5 CDBDHM COc1cnc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001158774843 938663302 /nfs/dbraw/zinc/66/33/02/938663302.db2.gz SBRFPHKUPHHBAZ-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM Cc1cnc(NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001164382428 939468841 /nfs/dbraw/zinc/46/88/41/939468841.db2.gz NVHJXNRMZPICCW-VIFPVBQESA-N -1 3 277.284 1.222 20 5 CDBDHM Cc1c([C@H](C)Oc2nccc([O-])c2[N+](=O)[O-])cnn1C ZINC001225662242 941896433 /nfs/dbraw/zinc/89/64/33/941896433.db2.gz RVSAJWABZROSRO-QMMMGPOBSA-N -1 3 278.268 1.877 20 5 CDBDHM CC1(C)COC(=O)[C@@H]1Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226334588 941988842 /nfs/dbraw/zinc/98/88/42/941988842.db2.gz WKHZIFHXEBEBJT-JTQLQIEISA-N -1 3 267.237 1.631 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(OC3COCOC3)[n-]c2c1 ZINC001227744727 942215847 /nfs/dbraw/zinc/21/58/47/942215847.db2.gz IMZLXXNHQITYQC-UHFFFAOYSA-N -1 3 265.225 1.223 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(OC3COCOC3)nc2c1 ZINC001227744727 942215852 /nfs/dbraw/zinc/21/58/52/942215852.db2.gz IMZLXXNHQITYQC-UHFFFAOYSA-N -1 3 265.225 1.223 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCS(=O)(=O)C3)[n-]c2c1 ZINC001227746375 942217556 /nfs/dbraw/zinc/21/75/56/942217556.db2.gz RWOOTXJHMKQGQD-QMMMGPOBSA-N -1 3 297.292 1.037 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCS(=O)(=O)C3)nc2c1 ZINC001227746375 942217562 /nfs/dbraw/zinc/21/75/62/942217562.db2.gz RWOOTXJHMKQGQD-QMMMGPOBSA-N -1 3 297.292 1.037 20 5 CDBDHM CC(=O)N1CCC[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228685712 942357218 /nfs/dbraw/zinc/35/72/18/942357218.db2.gz JRZYANIAESFYKW-SNVBAGLBSA-N -1 3 295.295 1.394 20 5 CDBDHM C[C@H](C[NH+](C)C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228970640 942401377 /nfs/dbraw/zinc/40/13/77/942401377.db2.gz KCWYGBKLZQBZDV-SSDOTTSWSA-N -1 3 256.258 1.335 20 5 CDBDHM CC[C@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001589443570 954738631 /nfs/dbraw/zinc/73/86/31/954738631.db2.gz LHGJAJRMXUOHIJ-LLVKDONJSA-N -1 3 282.296 1.898 20 5 CDBDHM Cc1c(CNCCOCC(=O)[O-])cccc1[N+](=O)[O-] ZINC001594262261 959704410 /nfs/dbraw/zinc/70/44/10/959704410.db2.gz YPAGHZFSDRUBHT-UHFFFAOYSA-N -1 3 268.269 1.094 20 5 CDBDHM CCc1coc([N-]C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])n1 ZINC001337362869 961143707 /nfs/dbraw/zinc/14/37/07/961143707.db2.gz IJWWJIWCZFAIKB-UHFFFAOYSA-N -1 3 279.256 1.683 20 5 CDBDHM C[C@@H](CO)[C@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592755498 979332132 /nfs/dbraw/zinc/33/21/32/979332132.db2.gz IZFHTJKFZBWLDF-IUCAKERBSA-N -1 3 282.296 1.400 20 5 CDBDHM CC(COC(=O)Cc1ccccc1C(=O)[O-])[N+](=O)[O-] ZINC001592764539 979366816 /nfs/dbraw/zinc/36/68/16/979366816.db2.gz LDGQJBUKQANMTR-MRVPVSSYSA-N -1 3 267.237 1.136 20 5 CDBDHM CC(COC(=O)c1ccc(C(=O)[O-])cc1)[N+](=O)[O-] ZINC001592771311 979386184 /nfs/dbraw/zinc/38/61/84/979386184.db2.gz CFLYPVBVHKNZOF-SSDOTTSWSA-N -1 3 253.210 1.207 20 5 CDBDHM CC(C)C[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001591446836 992545318 /nfs/dbraw/zinc/54/53/18/992545318.db2.gz DNVQGKOJQXLGBZ-NSHDSACASA-N -1 3 295.295 1.605 20 5 CDBDHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000092925872 342265260 /nfs/dbraw/zinc/26/52/60/342265260.db2.gz WTRFWWGMXBWDES-KOLCDFICSA-N -1 3 264.281 1.890 20 5 CDBDHM O=c1[n-]ccc(NCCCN2CCCCC2=O)c1[N+](=O)[O-] ZINC000596115981 343231896 /nfs/dbraw/zinc/23/18/96/343231896.db2.gz GAYJNXGQDXEPCG-UHFFFAOYSA-N -1 3 294.311 1.510 20 5 CDBDHM COCCN1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596116611 343231949 /nfs/dbraw/zinc/23/19/49/343231949.db2.gz ODDSKBZSZSSRGW-JTQLQIEISA-N -1 3 296.327 1.218 20 5 CDBDHM O=c1[n-]ccc(NCCCOC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000596135226 343239641 /nfs/dbraw/zinc/23/96/41/343239641.db2.gz FVHCNWJDFRTFOI-JTQLQIEISA-N -1 3 297.311 1.551 20 5 CDBDHM CN(CCOC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596164971 343257064 /nfs/dbraw/zinc/25/70/64/343257064.db2.gz IJCOMMRBCAREBI-UHFFFAOYSA-N -1 3 269.301 1.947 20 5 CDBDHM COC(=O)[C@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596277865 343296431 /nfs/dbraw/zinc/29/64/31/343296431.db2.gz JODNYNMVNGAAPL-CYBMUJFWSA-N -1 3 295.295 1.475 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1sccc1[N+](=O)[O-])C2 ZINC000612093137 347013495 /nfs/dbraw/zinc/01/34/95/347013495.db2.gz LQAGLLJFUKGODZ-UHFFFAOYSA-N -1 3 278.293 1.715 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000151055119 362589362 /nfs/dbraw/zinc/58/93/62/362589362.db2.gz QCSRDCQOYHXQKI-KKZNHRDASA-N -1 3 298.320 1.193 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000566860063 358491001 /nfs/dbraw/zinc/49/10/01/358491001.db2.gz FORYIXVGIIIDOU-CABZTGNLSA-N -1 3 294.307 1.898 20 5 CDBDHM O=c1cc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)occ1[O-] ZINC000360727006 357674876 /nfs/dbraw/zinc/67/48/76/357674876.db2.gz UIEUEWLRUPLRDO-UHFFFAOYSA-N -1 3 298.638 1.117 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000339084913 359286042 /nfs/dbraw/zinc/28/60/42/359286042.db2.gz RXLXWTBYDKBION-WFBYXXMGSA-N -1 3 278.308 1.503 20 5 CDBDHM O=C(N[C@H]1CCN(C2CC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331463985 374957174 /nfs/dbraw/zinc/95/71/74/374957174.db2.gz HENBTMFAEQMFOC-JTQLQIEISA-N -1 3 291.307 1.267 20 5 CDBDHM Cc1cc(S(=O)(=O)[N-]CCF)cc([N+](=O)[O-])c1F ZINC000280504784 374998600 /nfs/dbraw/zinc/99/86/00/374998600.db2.gz CLCIAGDSRNPNLK-UHFFFAOYSA-N -1 3 280.252 1.290 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]O[C@H]1CCCCO1 ZINC000299641284 375189234 /nfs/dbraw/zinc/18/92/34/375189234.db2.gz HYWOEUVPKPOPHS-LBPRGKRZSA-N -1 3 298.299 1.064 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CCF)c([N+](=O)[O-])c1 ZINC000435632785 248181088 /nfs/dbraw/zinc/18/10/88/248181088.db2.gz SFKGDSIPTJVGJA-UHFFFAOYSA-N -1 3 262.262 1.151 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCF)c2ncccc12 ZINC000435644199 248182597 /nfs/dbraw/zinc/18/25/97/248182597.db2.gz GXSSRKNBTDSYBY-UHFFFAOYSA-N -1 3 299.283 1.391 20 5 CDBDHM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000286033359 390188937 /nfs/dbraw/zinc/18/89/37/390188937.db2.gz KKCCEZJKZNHDDL-BDAKNGLRSA-N -1 3 279.296 1.123 20 5 CDBDHM Cc1nc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000083798214 390490835 /nfs/dbraw/zinc/49/08/35/390490835.db2.gz VFIKSYVOEKIWFW-UHFFFAOYSA-N -1 3 281.659 1.927 20 5 CDBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCN1 ZINC000236582984 140241501 /nfs/dbraw/zinc/24/15/01/140241501.db2.gz ZYAXBCRRJBLAMW-SECBINFHSA-N -1 3 265.269 1.381 20 5 CDBDHM O=c1[n-]c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000313472432 149244920 /nfs/dbraw/zinc/24/49/20/149244920.db2.gz GAUWUNMWPXNQOJ-UHFFFAOYSA-N -1 3 299.645 1.698 20 5 CDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1csc(=O)[n-]1 ZINC000348965683 154016121 /nfs/dbraw/zinc/01/61/21/154016121.db2.gz JURMJXOMKPSQPF-UHFFFAOYSA-N -1 3 279.277 1.687 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000285572918 196332573 /nfs/dbraw/zinc/33/25/73/196332573.db2.gz AKLMFZSTSYFSEO-UHFFFAOYSA-N -1 3 293.287 1.305 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cnns2)c1 ZINC000189561076 270278397 /nfs/dbraw/zinc/27/83/97/270278397.db2.gz GVLMBUDQHSZTCD-UHFFFAOYSA-N -1 3 280.265 1.707 20 5 CDBDHM CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184765532 323372944 /nfs/dbraw/zinc/37/29/44/323372944.db2.gz CXYJUIDAAJUFBT-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000435644935 535922740 /nfs/dbraw/zinc/92/27/40/535922740.db2.gz JMJCCLPRSSRQBA-GMSGAONNSA-N -1 3 288.300 1.811 20 5 CDBDHM Cc1nonc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1C ZINC000733874100 575141048 /nfs/dbraw/zinc/14/10/48/575141048.db2.gz HUCZROPTKXHULD-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM CN1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737508365 575979317 /nfs/dbraw/zinc/97/93/17/575979317.db2.gz IZZYKZZWXHEVDX-MRVPVSSYSA-N -1 3 293.279 1.183 20 5 CDBDHM O=[N+]([O-])c1cc(NC[C@H]2CCCO2)ccc1-c1nnn[n-]1 ZINC000823634499 606644287 /nfs/dbraw/zinc/64/42/87/606644287.db2.gz IFLQFVCAGRKIQG-SECBINFHSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1(CO)CCC1 ZINC000823629679 607131644 /nfs/dbraw/zinc/13/16/44/607131644.db2.gz DWIVTJBODBDLMY-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1(CO)CCC1 ZINC000823629679 607131645 /nfs/dbraw/zinc/13/16/45/607131645.db2.gz DWIVTJBODBDLMY-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM Cc1nn(Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826334829 609499553 /nfs/dbraw/zinc/49/95/53/609499553.db2.gz LEJHXKJQXBYEKR-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1nn(Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826334829 609499556 /nfs/dbraw/zinc/49/95/56/609499556.db2.gz LEJHXKJQXBYEKR-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001607082827 1164070541 /nfs/dbraw/zinc/07/05/41/1164070541.db2.gz UPGOOHFJGZRRAF-GDGBQDQQSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001607082827 1164070549 /nfs/dbraw/zinc/07/05/49/1164070549.db2.gz UPGOOHFJGZRRAF-GDGBQDQQSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Cn1ccnc1 ZINC001582803826 1172692463 /nfs/dbraw/zinc/69/24/63/1172692463.db2.gz WJIHKDNCXZSCOE-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Cn1ccnc1 ZINC001582803826 1172692466 /nfs/dbraw/zinc/69/24/66/1172692466.db2.gz WJIHKDNCXZSCOE-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001590445486 1173410883 /nfs/dbraw/zinc/41/08/83/1173410883.db2.gz BOQJYVOQMITMMQ-MRVPVSSYSA-N -1 3 293.287 1.007 20 5 CDBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001590445486 1173410886 /nfs/dbraw/zinc/41/08/86/1173410886.db2.gz BOQJYVOQMITMMQ-MRVPVSSYSA-N -1 3 293.287 1.007 20 5 CDBDHM Cc1cn(Cc2onc(C)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592287305 1173846464 /nfs/dbraw/zinc/84/64/64/1173846464.db2.gz FWORARIPFZUURV-UHFFFAOYSA-N -1 3 289.255 1.230 20 5 CDBDHM Cc1cn(Cc2onc(C)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592287305 1173846470 /nfs/dbraw/zinc/84/64/70/1173846470.db2.gz FWORARIPFZUURV-UHFFFAOYSA-N -1 3 289.255 1.230 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@H]1C(F)F ZINC001593470216 1174079307 /nfs/dbraw/zinc/07/93/07/1174079307.db2.gz KREPUSHAUYKOFH-LURJTMIESA-N -1 3 297.225 1.014 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@H]1C(F)F ZINC001593470216 1174079315 /nfs/dbraw/zinc/07/93/15/1174079315.db2.gz KREPUSHAUYKOFH-LURJTMIESA-N -1 3 297.225 1.014 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC(F)CC1 ZINC001593479911 1174081505 /nfs/dbraw/zinc/08/15/05/1174081505.db2.gz CIOCEVSCNVJRCO-UHFFFAOYSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC(F)CC1 ZINC001593479911 1174081508 /nfs/dbraw/zinc/08/15/08/1174081508.db2.gz CIOCEVSCNVJRCO-UHFFFAOYSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593487623 1174085243 /nfs/dbraw/zinc/08/52/43/1174085243.db2.gz KABNHYOAXJRCBV-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593487623 1174085245 /nfs/dbraw/zinc/08/52/45/1174085245.db2.gz KABNHYOAXJRCBV-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM C[C@H]1COC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603949153 1175695655 /nfs/dbraw/zinc/69/56/55/1175695655.db2.gz VACOZBNWRLLNRN-OIBJUYFYSA-N -1 3 290.283 1.222 20 5 CDBDHM CC(F)(F)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609116461 1164779717 /nfs/dbraw/zinc/77/97/17/1164779717.db2.gz NOZUCRPCAIDWRR-UHFFFAOYSA-N -1 3 299.241 1.627 20 5 CDBDHM CC(F)(F)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609116461 1164779726 /nfs/dbraw/zinc/77/97/26/1164779726.db2.gz NOZUCRPCAIDWRR-UHFFFAOYSA-N -1 3 299.241 1.627 20 5 CDBDHM CCCO[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000844084330 771034718 /nfs/dbraw/zinc/03/47/18/771034718.db2.gz LLPOKSWOWOWOIU-UHFFFAOYSA-N -1 3 268.269 1.604 20 5 CDBDHM CC(=O)[N-]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119930319 770869873 /nfs/dbraw/zinc/86/98/73/770869873.db2.gz XRVIOIATZGAXOO-UHFFFAOYSA-N -1 3 287.659 1.254 20 5 CDBDHM O=C([O-])[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000250068007 771864997 /nfs/dbraw/zinc/86/49/97/771864997.db2.gz YUEVNLUZIDPFSV-DGCLKSJQSA-N -1 3 294.307 1.425 20 5 CDBDHM O=C(Nc1ccc(F)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182575835 773093201 /nfs/dbraw/zinc/09/32/01/773093201.db2.gz OPIUGFUYNWGFJZ-UHFFFAOYSA-N -1 3 278.199 1.482 20 5 CDBDHM COc1ncnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1OC ZINC001199819556 925855908 /nfs/dbraw/zinc/85/59/08/925855908.db2.gz YEBKCYDPTDYADI-UHFFFAOYSA-N -1 3 292.251 1.851 20 5 CDBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)nc(OC)n1 ZINC001199802502 925867546 /nfs/dbraw/zinc/86/75/46/925867546.db2.gz SKHWFUSFHSKEBA-UHFFFAOYSA-N -1 3 292.251 1.851 20 5 CDBDHM COc1ncc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1[N+](=O)[O-] ZINC001210136092 940665182 /nfs/dbraw/zinc/66/51/82/940665182.db2.gz GBUPIOIJTFJMIQ-UHFFFAOYSA-N -1 3 295.280 1.526 20 5 CDBDHM COC(=O)[C@@H]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666659 941897419 /nfs/dbraw/zinc/89/74/19/941897419.db2.gz KJOOWNAEHHXOBH-RKDXNWHRSA-N -1 3 296.279 1.806 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3COCCO3)[n-]c2c1 ZINC001227746425 942217228 /nfs/dbraw/zinc/21/72/28/942217228.db2.gz SKZZMKKYOXHPTG-SECBINFHSA-N -1 3 279.252 1.265 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3COCCO3)nc2c1 ZINC001227746425 942217236 /nfs/dbraw/zinc/21/72/36/942217236.db2.gz SKZZMKKYOXHPTG-SECBINFHSA-N -1 3 279.252 1.265 20 5 CDBDHM Cc1ncc(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(=O)[n-]1 ZINC001254590356 947542274 /nfs/dbraw/zinc/54/22/74/947542274.db2.gz WEYNUDGPCXIOGV-YPMHNXCESA-N -1 3 286.291 1.050 20 5 CDBDHM CCc1nc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n[nH]1 ZINC001326384850 954354203 /nfs/dbraw/zinc/35/42/03/954354203.db2.gz MNZCFHVEGMRDLR-UHFFFAOYSA-N -1 3 293.258 1.975 20 5 CDBDHM O=[N+]([O-])c1cc(Cl)cnc1SCCc1nnn[n-]1 ZINC001307144847 956369755 /nfs/dbraw/zinc/36/97/55/956369755.db2.gz GXBOGFBOYAJQDY-UHFFFAOYSA-N -1 3 286.704 1.491 20 5 CDBDHM O=[N+]([O-])c1cc(Cl)cnc1SCCc1nn[n-]n1 ZINC001307144847 956369762 /nfs/dbraw/zinc/36/97/62/956369762.db2.gz GXBOGFBOYAJQDY-UHFFFAOYSA-N -1 3 286.704 1.491 20 5 CDBDHM COc1cc(CNCc2cc[nH]n2)c([N+](=O)[O-])cc1[O-] ZINC001308191759 956494545 /nfs/dbraw/zinc/49/45/45/956494545.db2.gz NDPOZZWPMMGNJA-UHFFFAOYSA-N -1 3 278.268 1.322 20 5 CDBDHM COc1cc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1[O-] ZINC001329354335 957694214 /nfs/dbraw/zinc/69/42/14/957694214.db2.gz MRIREOKXZWUUJX-XWEPSHTISA-N -1 3 296.279 1.262 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000601195098 342488752 /nfs/dbraw/zinc/48/87/52/342488752.db2.gz DBYOVCJAAGDMFS-QMMMGPOBSA-N -1 3 280.259 1.658 20 5 CDBDHM O=c1[n-]ccc(NCCC2CC(O)C2)c1[N+](=O)[O-] ZINC000596210032 343267402 /nfs/dbraw/zinc/26/74/02/343267402.db2.gz WUCGGWSHGOUHMI-UHFFFAOYSA-N -1 3 253.258 1.268 20 5 CDBDHM Cc1nn(CC(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000143183499 342434839 /nfs/dbraw/zinc/43/48/39/342434839.db2.gz STGOBFUTLWLDGB-UHFFFAOYSA-N -1 3 276.252 1.444 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000101568071 362364462 /nfs/dbraw/zinc/36/44/62/362364462.db2.gz YBXDJOZWQGOFGB-UHFFFAOYSA-N -1 3 272.326 1.980 20 5 CDBDHM CCN(C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC ZINC000072758018 349131479 /nfs/dbraw/zinc/13/14/79/349131479.db2.gz VTFPQIHPCVKQEA-UHFFFAOYSA-N -1 3 289.313 1.212 20 5 CDBDHM CCCc1n[nH]c(C(=O)[N-]OC/C=C/Cl)c1[N+](=O)[O-] ZINC000291971580 198121004 /nfs/dbraw/zinc/12/10/04/198121004.db2.gz YHHLGOXCTAYPBL-HWKANZROSA-N -1 3 288.691 1.684 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000297141769 200096356 /nfs/dbraw/zinc/09/63/56/200096356.db2.gz IIKWQKBCQKVCOQ-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM C[C@@H]1CCN(C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000354947448 360326693 /nfs/dbraw/zinc/32/66/93/360326693.db2.gz GIWCMFPSCKUOQB-SNVBAGLBSA-N -1 3 293.323 1.467 20 5 CDBDHM O=c1[n-]c(=O)n(Cc2c(F)cccc2[N+](=O)[O-])cc1Cl ZINC000081274875 369944105 /nfs/dbraw/zinc/94/41/05/369944105.db2.gz JLGNEDZQEMKLBK-UHFFFAOYSA-N -1 3 299.645 1.286 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CC(F)F)cc1[N+](=O)[O-] ZINC000173811227 379283186 /nfs/dbraw/zinc/28/31/86/379283186.db2.gz UGZOERLGWOXTJR-UHFFFAOYSA-N -1 3 280.252 1.447 20 5 CDBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]O[C@@H]1CCOC1 ZINC000492473706 253227439 /nfs/dbraw/zinc/22/74/39/253227439.db2.gz NQIVILQWJIYZJP-MJRJWQSSSA-N -1 3 278.264 1.445 20 5 CDBDHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493430253 390199674 /nfs/dbraw/zinc/19/96/74/390199674.db2.gz ILPXCZJPVWOFFQ-FWWRYZNZSA-N -1 3 294.307 1.673 20 5 CDBDHM Cc1cc(NCCN(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000519660677 391185921 /nfs/dbraw/zinc/18/59/21/391185921.db2.gz YICIAXBBQUSUEF-UHFFFAOYSA-N -1 3 267.285 1.575 20 5 CDBDHM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2c[nH]nc2C)n1 ZINC000439166977 391474454 /nfs/dbraw/zinc/47/44/54/391474454.db2.gz KSOJYKKVCBAAGY-UHFFFAOYSA-N -1 3 277.240 1.552 20 5 CDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000191216361 130203430 /nfs/dbraw/zinc/20/34/30/130203430.db2.gz JIAWVNYTZXYFPM-SECBINFHSA-N -1 3 288.325 1.216 20 5 CDBDHM CN(CCOc1ccccc1[N+](=O)[O-])CCC(=O)[O-] ZINC000262673238 131249658 /nfs/dbraw/zinc/24/96/58/131249658.db2.gz SPRFSYMUVZQVAZ-UHFFFAOYSA-N -1 3 268.269 1.380 20 5 CDBDHM O=C(Nc1ccccc1O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186811719 140070567 /nfs/dbraw/zinc/07/05/67/140070567.db2.gz GZSPQGFOUGRLMJ-UHFFFAOYSA-N -1 3 275.220 1.653 20 5 CDBDHM O=C(Nc1ncccc1[O-])c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000361861898 159003119 /nfs/dbraw/zinc/00/31/19/159003119.db2.gz IZZQKJKDBZTSFL-UHFFFAOYSA-N -1 3 276.208 1.048 20 5 CDBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)COC1 ZINC000736216797 575592241 /nfs/dbraw/zinc/59/22/41/575592241.db2.gz MKXXHFGPXLLCDL-UHFFFAOYSA-N -1 3 290.283 1.223 20 5 CDBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)COC1 ZINC000736216797 575592243 /nfs/dbraw/zinc/59/22/43/575592243.db2.gz MKXXHFGPXLLCDL-UHFFFAOYSA-N -1 3 290.283 1.223 20 5 CDBDHM CC(C)[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772989203 575772960 /nfs/dbraw/zinc/77/29/60/575772960.db2.gz KVEBOEHEMDDTGU-GFCCVEGCSA-N -1 3 295.339 1.616 20 5 CDBDHM CN1CCC(O[N-]C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000773552322 575824646 /nfs/dbraw/zinc/82/46/46/575824646.db2.gz MROKIYSTEUUZSB-UHFFFAOYSA-N -1 3 293.323 1.279 20 5 CDBDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768836334 576312153 /nfs/dbraw/zinc/31/21/53/576312153.db2.gz WKIGYOGNFCZFSX-SSDOTTSWSA-N -1 3 290.366 1.981 20 5 CDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc([O-])cc1 ZINC000748103686 576896067 /nfs/dbraw/zinc/89/60/67/576896067.db2.gz XUYFAXBLDLLXGE-UHFFFAOYSA-N -1 3 277.236 1.354 20 5 CDBDHM O=C([O-])CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049964225 597815964 /nfs/dbraw/zinc/81/59/64/597815964.db2.gz CBTMSEXGQMHRFQ-UHFFFAOYSA-N -1 3 258.661 1.813 20 5 CDBDHM O=C([O-])CN(Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000903608826 626033441 /nfs/dbraw/zinc/03/34/41/626033441.db2.gz NELUCZPELCMRGY-UHFFFAOYSA-N -1 3 279.296 1.819 20 5 CDBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1 ZINC000910456351 629077052 /nfs/dbraw/zinc/07/70/52/629077052.db2.gz NLAZAPPUNLRMSN-NSHDSACASA-N -1 3 293.323 1.580 20 5 CDBDHM C[C@@H](F)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589910835 1173204610 /nfs/dbraw/zinc/20/46/10/1173204610.db2.gz COCWRIUHXLOCOC-SSDOTTSWSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@@H](F)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589910835 1173204615 /nfs/dbraw/zinc/20/46/15/1173204615.db2.gz COCWRIUHXLOCOC-SSDOTTSWSA-N -1 3 280.263 1.935 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(N3CCC3)cc(-c3nnn[n-]3)c2c1 ZINC001593479523 1174082355 /nfs/dbraw/zinc/08/23/55/1174082355.db2.gz IUBOHDVHKNHELN-UHFFFAOYSA-N -1 3 297.278 1.533 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(N3CCC3)cc(-c3nn[n-]n3)c2c1 ZINC001593479523 1174082364 /nfs/dbraw/zinc/08/23/64/1174082364.db2.gz IUBOHDVHKNHELN-UHFFFAOYSA-N -1 3 297.278 1.533 20 5 CDBDHM Cn1cc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c([N+](=O)[O-])n1 ZINC001600953171 1174676839 /nfs/dbraw/zinc/67/68/39/1174676839.db2.gz PKNXDXGDCLLDMU-GWCFXTLKSA-N -1 3 294.311 1.015 20 5 CDBDHM CC(C)(F)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603158271 1175506027 /nfs/dbraw/zinc/50/60/27/1175506027.db2.gz YOVXCUXBTKIBEU-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM CC(C)(F)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603158271 1175506030 /nfs/dbraw/zinc/50/60/30/1175506030.db2.gz YOVXCUXBTKIBEU-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@H]1C[C@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603870505 1175661004 /nfs/dbraw/zinc/66/10/04/1175661004.db2.gz IDCMFRRMQPUZBS-YUMQZZPRSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@H](O)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001609788516 1165081943 /nfs/dbraw/zinc/08/19/43/1165081943.db2.gz KDIJHEOXOQUHLC-ONGXEEELSA-N -1 3 294.307 1.496 20 5 CDBDHM CCO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781598649 774418067 /nfs/dbraw/zinc/41/80/67/774418067.db2.gz KGSDLRNFIWXFPJ-UHFFFAOYSA-N -1 3 283.240 1.503 20 5 CDBDHM COc1ccc([N-]C(=O)c2cccc[n+]2[O-])cc1[N+](=O)[O-] ZINC000782813423 777075115 /nfs/dbraw/zinc/07/51/15/777075115.db2.gz DHAAVGUXEVZNTR-UHFFFAOYSA-N -1 3 289.247 1.489 20 5 CDBDHM O=C([N-]CCF)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848589713 777625934 /nfs/dbraw/zinc/62/59/34/777625934.db2.gz IGSBRDZCXDGPCT-UHFFFAOYSA-N -1 3 278.186 1.652 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ncc([N+](=O)[O-])cc1F ZINC001156277941 927895798 /nfs/dbraw/zinc/89/57/98/927895798.db2.gz KDQFKBJGOQPOSQ-ZETCQYMHSA-N -1 3 281.247 1.053 20 5 CDBDHM Cc1ncc(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)c(=O)[n-]1 ZINC001162300701 938974851 /nfs/dbraw/zinc/97/48/51/938974851.db2.gz KWTADJHDSDYBPA-QMMMGPOBSA-N -1 3 286.251 1.281 20 5 CDBDHM Cc1c([N-]c2ncn(C)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291000 940746230 /nfs/dbraw/zinc/74/62/30/940746230.db2.gz QNLNHTKAMMUPHM-UHFFFAOYSA-N -1 3 278.228 1.684 20 5 CDBDHM CCOC(=O)[C@@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225663684 941895820 /nfs/dbraw/zinc/89/58/20/941895820.db2.gz FPAGWEVALKNNSZ-BDAKNGLRSA-N -1 3 296.279 1.806 20 5 CDBDHM COC(=O)C[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692863 942206025 /nfs/dbraw/zinc/20/60/25/942206025.db2.gz GNBHULVMFXTZOM-ZCFIWIBFSA-N -1 3 280.240 1.197 20 5 CDBDHM CCOC(=O)[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686680 942357397 /nfs/dbraw/zinc/35/73/97/942357397.db2.gz QDLTWHFHVKFVET-ZETCQYMHSA-N -1 3 270.241 1.334 20 5 CDBDHM CC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(=O)OC ZINC001228689345 942358681 /nfs/dbraw/zinc/35/86/81/942358681.db2.gz RYSPTQLDYIORRP-SSDOTTSWSA-N -1 3 270.241 1.334 20 5 CDBDHM C[C@@H](C[N+](C)(C)C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972853 942401869 /nfs/dbraw/zinc/40/18/69/942401869.db2.gz FAIFROHDXXQKMC-QMMMGPOBSA-O -1 3 271.293 1.480 20 5 CDBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001344341660 964278861 /nfs/dbraw/zinc/27/88/61/964278861.db2.gz UPWLRJADRJQECA-UHFFFAOYSA-N -1 3 290.283 1.091 20 5 CDBDHM C[C@@H](CO)[C@@H](C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592755497 979331870 /nfs/dbraw/zinc/33/18/70/979331870.db2.gz IZFHTJKFZBWLDF-DTWKUNHWSA-N -1 3 282.296 1.400 20 5 CDBDHM COc1c([O-])ccc(C[NH2+]CC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC001599344063 997970949 /nfs/dbraw/zinc/97/09/49/997970949.db2.gz ABCIONFROHDKDQ-UHFFFAOYSA-N -1 3 298.295 1.509 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000601195170 342488786 /nfs/dbraw/zinc/48/87/86/342488786.db2.gz GGDUXZWDCMUPKL-SSDOTTSWSA-N -1 3 298.249 1.797 20 5 CDBDHM O=C([N-]c1n[nH]c2[nH]c(=O)ccc12)c1ccc([N+](=O)[O-])o1 ZINC000590556156 342576508 /nfs/dbraw/zinc/57/65/08/342576508.db2.gz YNRQMOHIQWXBPP-UHFFFAOYSA-N -1 3 289.207 1.417 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000166817642 362078861 /nfs/dbraw/zinc/07/88/61/362078861.db2.gz OMIIHPFQQNURKV-BDAKNGLRSA-N -1 3 294.311 1.583 20 5 CDBDHM C[C@@H]1COCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596230260 343273400 /nfs/dbraw/zinc/27/34/00/343273400.db2.gz VHXOGHDUXCNEPV-BDAKNGLRSA-N -1 3 267.285 1.780 20 5 CDBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(C)(F)F ZINC000559131417 356143938 /nfs/dbraw/zinc/14/39/38/356143938.db2.gz DNUOJJFRLRXMQF-UHFFFAOYSA-N -1 3 294.279 1.837 20 5 CDBDHM CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181820439 357382763 /nfs/dbraw/zinc/38/27/63/357382763.db2.gz UYUUDIXPNWLYPF-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C[C@@H]21 ZINC000569321372 359203638 /nfs/dbraw/zinc/20/36/38/359203638.db2.gz CJIVOSIKBCDDAU-SKDRFNHKSA-N -1 3 291.307 1.077 20 5 CDBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000156286246 237072951 /nfs/dbraw/zinc/07/29/51/237072951.db2.gz YHBVGGDBINFMTA-UHFFFAOYSA-N -1 3 280.211 1.963 20 5 CDBDHM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1 ZINC000182076118 365068758 /nfs/dbraw/zinc/06/87/58/365068758.db2.gz GNBIHDMIYQDQGW-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CSc1ccc(C(=O)[N-]c2nc[nH]n2)cc1[N+](=O)[O-] ZINC000026264007 369773070 /nfs/dbraw/zinc/77/30/70/369773070.db2.gz PUJIUFALMDUUNJ-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(F)ccc1[O-] ZINC000178327906 372178317 /nfs/dbraw/zinc/17/83/17/372178317.db2.gz RAZZVHAKLVFOIC-UHFFFAOYSA-N -1 3 294.242 1.665 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000269733710 374162645 /nfs/dbraw/zinc/16/26/45/374162645.db2.gz WYASQZHZMABSQX-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM CO[N-]C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116722648 374484666 /nfs/dbraw/zinc/48/46/66/374484666.db2.gz JQHOTOWRFRHBPH-UHFFFAOYSA-N -1 3 274.660 1.695 20 5 CDBDHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493350360 375445133 /nfs/dbraw/zinc/44/51/33/375445133.db2.gz IMGUPPNORBHPKI-DMTLFAOVSA-N -1 3 294.307 1.673 20 5 CDBDHM O=C(NCCN1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184919326 391526703 /nfs/dbraw/zinc/52/67/03/391526703.db2.gz YSHGAODFEIJNKO-UHFFFAOYSA-N -1 3 279.296 1.126 20 5 CDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1csc(=O)[n-]1 ZINC000348975693 154018775 /nfs/dbraw/zinc/01/87/75/154018775.db2.gz XHRNLDASQRHXIA-UHFFFAOYSA-N -1 3 279.277 1.687 20 5 CDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1 ZINC000020214344 171076595 /nfs/dbraw/zinc/07/65/95/171076595.db2.gz QVSMAJWEQPTQKP-UHFFFAOYSA-N -1 3 261.237 1.891 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1CC(=O)[O-] ZINC000038027339 174012897 /nfs/dbraw/zinc/01/28/97/174012897.db2.gz RKBLHWVIRMUGHU-NSHDSACASA-N -1 3 296.327 1.429 20 5 CDBDHM CC(C)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589603548 1173162020 /nfs/dbraw/zinc/16/20/20/1173162020.db2.gz GFEYYXFVNNSIIM-UHFFFAOYSA-N -1 3 277.288 1.628 20 5 CDBDHM CC(C)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589603548 1173162024 /nfs/dbraw/zinc/16/20/24/1173162024.db2.gz GFEYYXFVNNSIIM-UHFFFAOYSA-N -1 3 277.288 1.628 20 5 CDBDHM CC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590383788 1173384687 /nfs/dbraw/zinc/38/46/87/1173384687.db2.gz HSXLTUGHNDVRSU-GFCCVEGCSA-N -1 3 292.299 1.348 20 5 CDBDHM CCON(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590817681 1173521482 /nfs/dbraw/zinc/52/14/82/1173521482.db2.gz CUBXBBDSNPZWKU-UHFFFAOYSA-N -1 3 264.245 1.163 20 5 CDBDHM CCON(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590817681 1173521489 /nfs/dbraw/zinc/52/14/89/1173521489.db2.gz CUBXBBDSNPZWKU-UHFFFAOYSA-N -1 3 264.245 1.163 20 5 CDBDHM CO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754627181 576906136 /nfs/dbraw/zinc/90/61/36/576906136.db2.gz AXVGQHBYBLBHDR-UHFFFAOYSA-N -1 3 293.048 1.788 20 5 CDBDHM O=[N+]([O-])c1ccnn1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823647657 607009403 /nfs/dbraw/zinc/00/94/03/607009403.db2.gz NVROUMOFLLVSBA-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1ccnn1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823647657 607009404 /nfs/dbraw/zinc/00/94/04/607009404.db2.gz NVROUMOFLLVSBA-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(C)(C)O ZINC001589983654 1173222662 /nfs/dbraw/zinc/22/26/62/1173222662.db2.gz WUOZMCZLFFLPBW-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM CC1(C)CC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590092445 1173255072 /nfs/dbraw/zinc/25/50/72/1173255072.db2.gz IQJHYUQEAWMLHM-SECBINFHSA-N -1 3 289.299 1.770 20 5 CDBDHM CC1(C)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590092445 1173255076 /nfs/dbraw/zinc/25/50/76/1173255076.db2.gz IQJHYUQEAWMLHM-SECBINFHSA-N -1 3 289.299 1.770 20 5 CDBDHM Cc1n[nH]cc1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592331595 1173855989 /nfs/dbraw/zinc/85/59/89/1173855989.db2.gz JULFIJLXUFAUGD-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM Cc1n[nH]cc1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592331595 1173855994 /nfs/dbraw/zinc/85/59/94/1173855994.db2.gz JULFIJLXUFAUGD-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM O=[N+]([O-])c1ncccc1COc1ccccc1-c1nnn[n-]1 ZINC001593486866 1174083485 /nfs/dbraw/zinc/08/34/85/1174083485.db2.gz AILOPSRXUXXTRD-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1ncccc1COc1ccccc1-c1nn[n-]n1 ZINC001593486866 1174083490 /nfs/dbraw/zinc/08/34/90/1174083490.db2.gz AILOPSRXUXXTRD-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM CC1(C)CC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603764919 1175621883 /nfs/dbraw/zinc/62/18/83/1175621883.db2.gz KHQLNXQFRQDLRN-UHFFFAOYSA-N -1 3 289.299 1.770 20 5 CDBDHM CC1(C)CC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603764919 1175621887 /nfs/dbraw/zinc/62/18/87/1175621887.db2.gz KHQLNXQFRQDLRN-UHFFFAOYSA-N -1 3 289.299 1.770 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603870502 1175662458 /nfs/dbraw/zinc/66/24/58/1175662458.db2.gz IDCMFRRMQPUZBS-JGVFFNPUSA-N -1 3 274.284 1.843 20 5 CDBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](C)O ZINC001609194838 1164836239 /nfs/dbraw/zinc/83/62/39/1164836239.db2.gz PJFCUCWWAOSCAX-XCBNKYQSSA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](C)O ZINC001609194838 1164836245 /nfs/dbraw/zinc/83/62/45/1164836245.db2.gz PJFCUCWWAOSCAX-XCBNKYQSSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1cc(S[C@H](C)CO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609413208 1164937187 /nfs/dbraw/zinc/93/71/87/1164937187.db2.gz MNOVBRMHKLTEBM-SSDOTTSWSA-N -1 3 295.324 1.556 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OC/C=C/Cl ZINC000794306708 782860643 /nfs/dbraw/zinc/86/06/43/782860643.db2.gz WYISCAYZDPYWSR-LZCJLJQNSA-N -1 3 270.672 1.938 20 5 CDBDHM O=C(Cc1cccc(F)c1[N+](=O)[O-])[N-]OCC1CC1 ZINC000868553264 783214399 /nfs/dbraw/zinc/21/43/99/783214399.db2.gz DNJJASBXQSCNNM-UHFFFAOYSA-N -1 3 268.244 1.734 20 5 CDBDHM CCN(C)C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804622760 780862545 /nfs/dbraw/zinc/86/25/45/780862545.db2.gz GYLSNYOJCHWICZ-UHFFFAOYSA-N -1 3 282.256 1.393 20 5 CDBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnccn1 ZINC000825483036 931507651 /nfs/dbraw/zinc/50/76/51/931507651.db2.gz RTFPQPBOKOVFQU-UHFFFAOYSA-N -1 3 280.190 1.915 20 5 CDBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc2c(cc1[O-])OCO2 ZINC001155044072 937626301 /nfs/dbraw/zinc/62/63/01/937626301.db2.gz VAIZLBFXDQJSFE-UHFFFAOYSA-N -1 3 292.207 1.005 20 5 CDBDHM COC(=O)C1CC(Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225662434 941895781 /nfs/dbraw/zinc/89/57/81/941895781.db2.gz SXEZATOWEDKNSK-UHFFFAOYSA-N -1 3 268.225 1.026 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CN2CCC1CC2 ZINC001225665469 941896123 /nfs/dbraw/zinc/89/61/23/941896123.db2.gz AHGGMGAORDLZMA-SNVBAGLBSA-N -1 3 265.269 1.168 20 5 CDBDHM CC[C@@H](COC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690170 942204883 /nfs/dbraw/zinc/20/48/83/942204883.db2.gz GXYUNWMPSIURBM-ZETCQYMHSA-N -1 3 266.257 1.670 20 5 CDBDHM Cc1cc2[n-]c(OC[C@@H]3COCCO3)nc2cc1[N+](=O)[O-] ZINC001228675674 942354471 /nfs/dbraw/zinc/35/44/71/942354471.db2.gz SHDBAAJIHPPJOZ-VIFPVBQESA-N -1 3 293.279 1.574 20 5 CDBDHM CCN1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229397502 942464751 /nfs/dbraw/zinc/46/47/51/942464751.db2.gz JHVMCTGCYYTUFL-SNVBAGLBSA-N -1 3 252.270 1.773 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001327687288 955000344 /nfs/dbraw/zinc/00/03/44/955000344.db2.gz GEGWLAURZSJRSP-MWLCHTKSSA-N -1 3 279.296 1.701 20 5 CDBDHM C[C@H]1[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000719471417 978005595 /nfs/dbraw/zinc/00/55/95/978005595.db2.gz KOPTVEQSMWHZJW-JGVFFNPUSA-N -1 3 280.284 1.193 20 5 CDBDHM CC(COC(=O)c1ccc(C(=O)[O-])cc1)[N+](=O)[O-] ZINC001592771312 979386316 /nfs/dbraw/zinc/38/63/16/979386316.db2.gz CFLYPVBVHKNZOF-ZETCQYMHSA-N -1 3 253.210 1.207 20 5 CDBDHM CC(C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H](C)O ZINC001593459757 995375294 /nfs/dbraw/zinc/37/52/94/995375294.db2.gz REABNVXLDPPBBT-SNVBAGLBSA-N -1 3 296.323 1.884 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)C ZINC000070255694 361870693 /nfs/dbraw/zinc/87/06/93/361870693.db2.gz SNUGPWAANOKYJL-UHFFFAOYSA-N -1 3 258.299 1.590 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC2CC1(C(=O)[O-])C2 ZINC000594733647 342949809 /nfs/dbraw/zinc/94/98/09/342949809.db2.gz ARTPYBSBPVGEAS-UHFFFAOYSA-N -1 3 292.291 1.652 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCC2 ZINC000594802040 342958729 /nfs/dbraw/zinc/95/87/29/342958729.db2.gz HWMNBHRJFSSMFN-CABZTGNLSA-N -1 3 282.321 1.816 20 5 CDBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596119006 343232596 /nfs/dbraw/zinc/23/25/96/343232596.db2.gz IBLHDSZONWDUGB-IUCAKERBSA-N -1 3 267.285 1.699 20 5 CDBDHM CC(C)OC(=O)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147146 343244056 /nfs/dbraw/zinc/24/40/56/343244056.db2.gz URAFSENWHZJUAT-UHFFFAOYSA-N -1 3 272.282 1.739 20 5 CDBDHM C[C@H](O)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596169754 343258666 /nfs/dbraw/zinc/25/86/66/343258666.db2.gz KWMYXOPBOQGUBK-DTWKUNHWSA-N -1 3 267.285 1.293 20 5 CDBDHM CCNC(=O)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596170482 343258681 /nfs/dbraw/zinc/25/86/81/343258681.db2.gz RXJIIPROWJTRQU-UHFFFAOYSA-N -1 3 282.300 1.270 20 5 CDBDHM COC[C@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596249872 343274111 /nfs/dbraw/zinc/27/41/11/343274111.db2.gz LUVAZWMNXOJSQZ-GFCCVEGCSA-N -1 3 267.285 1.558 20 5 CDBDHM CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000029608193 345028187 /nfs/dbraw/zinc/02/81/87/345028187.db2.gz 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CCOc1cc(CO[N-]C(C)=O)ccc1[N+](=O)[O-] ZINC000281194749 195143972 /nfs/dbraw/zinc/14/39/72/195143972.db2.gz OURDWGRFKAUDOO-UHFFFAOYSA-N -1 3 254.242 1.561 20 5 CDBDHM O=C([N-]N1CCCCC1=O)c1csc([N+](=O)[O-])c1 ZINC000263776376 131327956 /nfs/dbraw/zinc/32/79/56/131327956.db2.gz MYRPOVZHJSJLBA-UHFFFAOYSA-N -1 3 269.282 1.314 20 5 CDBDHM O=C(Nc1ccc(O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185853230 140047854 /nfs/dbraw/zinc/04/78/54/140047854.db2.gz SSSDTNDCINIHEM-UHFFFAOYSA-N -1 3 275.220 1.653 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC000191595545 140136510 /nfs/dbraw/zinc/13/65/10/140136510.db2.gz DVUVBQVGTCXBGM-UHFFFAOYSA-N -1 3 289.247 1.956 20 5 CDBDHM CC(C)(CO)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589293474 1173134836 /nfs/dbraw/zinc/13/48/36/1173134836.db2.gz GBBSMUSCQOMZQT-UHFFFAOYSA-N -1 3 292.299 1.205 20 5 CDBDHM CC(C)(CO)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589293474 1173134845 /nfs/dbraw/zinc/13/48/45/1173134845.db2.gz GBBSMUSCQOMZQT-UHFFFAOYSA-N 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/nfs/dbraw/zinc/59/04/45/575590445.db2.gz BDACRTGPCGVDKG-SSDOTTSWSA-N -1 3 289.299 1.628 20 5 CDBDHM O=[N+]([O-])c1cnc(N2C3CCC2CC3)c(-c2nnn[n-]2)c1 ZINC000738370635 576063550 /nfs/dbraw/zinc/06/35/50/576063550.db2.gz XJOPUTAAVWBOST-UHFFFAOYSA-N -1 3 287.283 1.301 20 5 CDBDHM O=[N+]([O-])c1cnc(N2C3CCC2CC3)c(-c2nn[n-]n2)c1 ZINC000738370635 576063552 /nfs/dbraw/zinc/06/35/52/576063552.db2.gz XJOPUTAAVWBOST-UHFFFAOYSA-N -1 3 287.283 1.301 20 5 CDBDHM CC(C)c1n[nH]c(C(=O)[N-]OCC(F)F)c1[N+](=O)[O-] ZINC000760146977 576461448 /nfs/dbraw/zinc/46/14/48/576461448.db2.gz MBLJTGJQLUTVHA-UHFFFAOYSA-N -1 3 278.215 1.368 20 5 CDBDHM COc1cc(CNCCOC2CCC2)c([N+](=O)[O-])cc1[O-] ZINC000742385790 576599619 /nfs/dbraw/zinc/59/96/19/576599619.db2.gz UXNUSDJVNSEGLT-UHFFFAOYSA-N -1 3 296.323 1.968 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000753467283 577170955 /nfs/dbraw/zinc/17/09/55/577170955.db2.gz ZCBZRWMRDKJWIF-UHFFFAOYSA-N -1 3 288.263 1.838 20 5 CDBDHM COc1c([O-])ccc(CN2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000892052227 617445173 /nfs/dbraw/zinc/44/51/73/617445173.db2.gz IMUHKZGVEIREMJ-PHIMTYICSA-N -1 3 294.307 1.672 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001607084717 1164074805 /nfs/dbraw/zinc/07/48/05/1164074805.db2.gz VGDYVWPARBCQQU-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001607084717 1164074811 /nfs/dbraw/zinc/07/48/11/1164074811.db2.gz VGDYVWPARBCQQU-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H](C)O ZINC001609194836 1164837225 /nfs/dbraw/zinc/83/72/25/1164837225.db2.gz PJFCUCWWAOSCAX-GMSGAONNSA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H](C)O ZINC001609194836 1164837230 /nfs/dbraw/zinc/83/72/30/1164837230.db2.gz PJFCUCWWAOSCAX-GMSGAONNSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1cc(S[C@H](C)CO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609413208 1164937182 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O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCCCF ZINC001593470664 1174079368 /nfs/dbraw/zinc/07/93/68/1174079368.db2.gz JXIQSANHVPTYPZ-UHFFFAOYSA-N -1 3 281.251 1.332 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCCCF ZINC001593470664 1174079374 /nfs/dbraw/zinc/07/93/74/1174079374.db2.gz JXIQSANHVPTYPZ-UHFFFAOYSA-N -1 3 281.251 1.332 20 5 CDBDHM O=[N+]([O-])c1ccc(Cn2cc(-c3nnn[n-]3)cn2)c(F)c1 ZINC001593476396 1174081858 /nfs/dbraw/zinc/08/18/58/1174081858.db2.gz OQDBIRJGOZHVBQ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1ccc(Cn2cc(-c3nn[n-]n3)cn2)c(F)c1 ZINC001593476396 1174081861 /nfs/dbraw/zinc/08/18/61/1174081861.db2.gz OQDBIRJGOZHVBQ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM C[C@@H](CCCO)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603476280 1175557382 /nfs/dbraw/zinc/55/73/82/1175557382.db2.gz DMAPVIORMXMRPR-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](CCCO)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603476280 1175557390 /nfs/dbraw/zinc/55/73/90/1175557390.db2.gz DMAPVIORMXMRPR-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM COC(=O)[C@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001117740811 922052652 /nfs/dbraw/zinc/05/26/52/922052652.db2.gz FCHHHOKVEYUSML-RYUDHWBXSA-N -1 3 294.307 1.732 20 5 CDBDHM Cc1nn(C)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C(N)=O ZINC001199801230 925868341 /nfs/dbraw/zinc/86/83/41/925868341.db2.gz CCGONRSIWFWCET-UHFFFAOYSA-N -1 3 291.267 1.185 20 5 CDBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)nn1C ZINC000816721777 930353443 /nfs/dbraw/zinc/35/34/43/930353443.db2.gz RHUQCRBCTUNPAW-UHFFFAOYSA-N -1 3 295.686 1.937 20 5 CDBDHM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000817403998 930526676 /nfs/dbraw/zinc/52/66/76/930526676.db2.gz URNPXHITZOYUEL-UHFFFAOYSA-N -1 3 264.281 1.985 20 5 CDBDHM O=C(Oc1ccc2c(c1)CC(=O)N2)c1cc([N+](=O)[O-])n[n-]1 ZINC000803294463 936111608 /nfs/dbraw/zinc/11/16/08/936111608.db2.gz BGLWLIYPJZXAGH-UHFFFAOYSA-N -1 3 288.219 1.032 20 5 CDBDHM CCOc1nc(Nc2cnc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC001162303873 938975669 /nfs/dbraw/zinc/97/56/69/938975669.db2.gz YQBPHEANXZRGEL-MRVPVSSYSA-N -1 3 291.267 1.198 20 5 CDBDHM CC[C@@H](CC(=O)OC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691062 942205210 /nfs/dbraw/zinc/20/52/10/942205210.db2.gz LZJSWMSAEXZSSN-ZETCQYMHSA-N -1 3 294.267 1.587 20 5 CDBDHM C[NH+]1CCC(Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228968844 942400868 /nfs/dbraw/zinc/40/08/68/942400868.db2.gz RJSHKVDYKKAZKB-UHFFFAOYSA-N -1 3 268.269 1.479 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCc3nccn3C2)c1 ZINC001229395403 942463703 /nfs/dbraw/zinc/46/37/03/942463703.db2.gz ICOXOJATBGWJMG-JTQLQIEISA-N -1 3 275.264 1.891 20 5 CDBDHM CC(COC(=O)[C@]1(C(=O)[O-])CC=CCC1)[N+](=O)[O-] ZINC001603202576 972311354 /nfs/dbraw/zinc/31/13/54/972311354.db2.gz NNAVNFIDGJLUQO-LDYMZIIASA-N -1 3 257.242 1.006 20 5 CDBDHM CO[C@@H](C)CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599319599 997557576 /nfs/dbraw/zinc/55/75/76/997557576.db2.gz FTZDYCPMUMLVGR-VIFPVBQESA-N -1 3 298.295 1.183 20 5 CDBDHM O=[N+]([O-])c1ncccc1[N-]c1cc2n(n1)CCCC2 ZINC000588081659 342492282 /nfs/dbraw/zinc/49/22/82/342492282.db2.gz UMGBLUGMCWTVBV-UHFFFAOYSA-N -1 3 259.269 1.688 20 5 CDBDHM O=c1[n-]ccc(N2CCC(c3ncc[nH]3)CC2)c1[N+](=O)[O-] ZINC000596102850 343227640 /nfs/dbraw/zinc/22/76/40/343227640.db2.gz RPRWLVNCEHLDBY-UHFFFAOYSA-N -1 3 289.295 1.803 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000596156202 343247806 /nfs/dbraw/zinc/24/78/06/343247806.db2.gz GWCJOICCGRFZEY-MNOVXSKESA-N -1 3 295.295 1.080 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000596209814 343267230 /nfs/dbraw/zinc/26/72/30/343267230.db2.gz RWCKEBLGMOMOPL-BDAKNGLRSA-N -1 3 267.285 1.658 20 5 CDBDHM O=c1[n-]ccc(NCCC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000596260027 343277488 /nfs/dbraw/zinc/27/74/88/343277488.db2.gz DFXPGZZUESZDOD-SECBINFHSA-N -1 3 267.285 1.924 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1cccnc1[N+](=O)[O-])C2 ZINC000612093069 347014284 /nfs/dbraw/zinc/01/42/84/347014284.db2.gz DLRRFDUHPDORBL-UHFFFAOYSA-N -1 3 273.252 1.048 20 5 CDBDHM Cc1noc([N-]C(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000171061116 362378216 /nfs/dbraw/zinc/37/82/16/362378216.db2.gz LKGIFCZCXSYBQC-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM COC(=O)c1csc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000566632216 358221485 /nfs/dbraw/zinc/22/14/85/358221485.db2.gz FUKMXIGPPWEIEG-UHFFFAOYSA-N -1 3 296.264 1.418 20 5 CDBDHM Cc1cc(=O)n(Cc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000567831391 358739384 /nfs/dbraw/zinc/73/93/84/358739384.db2.gz MSPGQLAJCIHCRC-UHFFFAOYSA-N -1 3 261.237 1.214 20 5 CDBDHM O=C(Nc1cc(F)ccc1O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174870923 364586775 /nfs/dbraw/zinc/58/67/75/364586775.db2.gz PWVXKOAYZJSCIC-UHFFFAOYSA-N -1 3 293.210 1.792 20 5 CDBDHM CCCc1n[nH]c(C(=O)[N-]OCC2CC2)c1[N+](=O)[O-] ZINC000293791610 372787333 /nfs/dbraw/zinc/78/73/33/372787333.db2.gz OTDAWSKZZJQPRA-UHFFFAOYSA-N -1 3 268.273 1.342 20 5 CDBDHM CCc1nc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])n[nH]1 ZINC000122932655 373696633 /nfs/dbraw/zinc/69/66/33/373696633.db2.gz ZFXNFCSDJRAAII-UHFFFAOYSA-N -1 3 291.267 1.536 20 5 CDBDHM Cc1ccc(N(C)C[C@@H](C)c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000095339719 374884111 /nfs/dbraw/zinc/88/41/11/374884111.db2.gz CXMFRPDNFOJXFV-SECBINFHSA-N -1 3 276.300 1.656 20 5 CDBDHM Cc1ccc(N(C)C[C@@H](C)c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000095339719 374884118 /nfs/dbraw/zinc/88/41/18/374884118.db2.gz CXMFRPDNFOJXFV-SECBINFHSA-N -1 3 276.300 1.656 20 5 CDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCc2n[nH]cc21 ZINC000280135156 374983769 /nfs/dbraw/zinc/98/37/69/374983769.db2.gz PRAMIFOZIPDATM-UHFFFAOYSA-N -1 3 289.251 1.012 20 5 CDBDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280785318 375022766 /nfs/dbraw/zinc/02/27/66/375022766.db2.gz PUNZQHLITFRWLF-RKDXNWHRSA-N -1 3 270.310 1.672 20 5 CDBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]O[C@@H]1CCOC1 ZINC000493481476 375458469 /nfs/dbraw/zinc/45/84/69/375458469.db2.gz GFJAQEDAQSRBRQ-CJHWANRJSA-N -1 3 296.254 1.584 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)C ZINC000032401955 375944458 /nfs/dbraw/zinc/94/44/58/375944458.db2.gz CXTDBINDJSEWTE-UHFFFAOYSA-N -1 3 288.325 1.538 20 5 CDBDHM Cc1c(CN(C)[C@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000054068080 376501236 /nfs/dbraw/zinc/50/12/36/376501236.db2.gz SOUNFLGTFUZULH-SECBINFHSA-N -1 3 252.270 1.808 20 5 CDBDHM CCc1[nH]nc(C(=O)[N-]c2nccs2)c1[N+](=O)[O-] ZINC000171397287 376575187 /nfs/dbraw/zinc/57/51/87/376575187.db2.gz NCFDNKBGNMKWOF-UHFFFAOYSA-N -1 3 267.270 1.589 20 5 CDBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OCC(F)F ZINC000492601169 253254282 /nfs/dbraw/zinc/25/42/82/253254282.db2.gz CGUURXUDOUCMGB-UTCJRWHESA-N -1 3 272.207 1.921 20 5 CDBDHM C[C@H]1NCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC000285853504 390185540 /nfs/dbraw/zinc/18/55/40/390185540.db2.gz ASNNROMRAIRWAX-RKDXNWHRSA-N -1 3 279.296 1.123 20 5 CDBDHM O=[N+]([O-])c1cc(F)c(Sc2n[n-]c(CO)n2)c(F)c1 ZINC000527065317 392974266 /nfs/dbraw/zinc/97/42/66/392974266.db2.gz TZGLNSFMQIPRRW-UHFFFAOYSA-N -1 3 288.235 1.635 20 5 CDBDHM CCn1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000188179935 140089058 /nfs/dbraw/zinc/08/90/58/140089058.db2.gz DIUPBHDPALEVNM-UHFFFAOYSA-N -1 3 277.240 1.164 20 5 CDBDHM CC(C)(C)[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232492206 140223729 /nfs/dbraw/zinc/22/37/29/140223729.db2.gz AMOQLJQCXAALNV-SNVBAGLBSA-N -1 3 267.285 1.612 20 5 CDBDHM NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000236193506 140239019 /nfs/dbraw/zinc/23/90/19/140239019.db2.gz INKSUJCCUKMQQH-UHFFFAOYSA-N -1 3 251.242 1.120 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000090469372 296516558 /nfs/dbraw/zinc/51/65/58/296516558.db2.gz IVDCYVPKGZKOGU-SNVBAGLBSA-N -1 3 282.321 1.982 20 5 CDBDHM Cc1ncsc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343859330 152328227 /nfs/dbraw/zinc/32/82/27/152328227.db2.gz IAAIXROZKKFRDV-UHFFFAOYSA-N -1 3 253.243 1.335 20 5 CDBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000285240376 196230206 /nfs/dbraw/zinc/23/02/06/196230206.db2.gz YQNODJPIWOPGNO-UHFFFAOYSA-N -1 3 296.312 1.719 20 5 CDBDHM Cc1cc([N-]C(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)on1 ZINC000185173822 270255548 /nfs/dbraw/zinc/25/55/48/270255548.db2.gz XOSWERFOLTXPDJ-UHFFFAOYSA-N -1 3 291.267 1.604 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCC1 ZINC000071778442 279209926 /nfs/dbraw/zinc/20/99/26/279209926.db2.gz JOLGPSZHNCIGDY-UHFFFAOYSA-N -1 3 256.283 1.426 20 5 CDBDHM C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCCC1 ZINC000225795365 280098107 /nfs/dbraw/zinc/09/81/07/280098107.db2.gz KKQBXQAVQDVCTR-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C ZINC000436965736 297281904 /nfs/dbraw/zinc/28/19/04/297281904.db2.gz KDQXFQJGOMHFMV-ZJUUUORDSA-N -1 3 293.323 1.513 20 5 CDBDHM COC[C@](C)(NCc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000340699733 522890463 /nfs/dbraw/zinc/89/04/63/522890463.db2.gz UUXOVLYQWYHANX-ZDUSSCGKSA-N -1 3 282.296 1.483 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2noc([N-]C3(CO)CCC3)n2)cc1 ZINC000340741036 527343873 /nfs/dbraw/zinc/34/38/73/527343873.db2.gz IXBJCFZUMDCETQ-UHFFFAOYSA-N -1 3 290.279 1.972 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000738373874 576064153 /nfs/dbraw/zinc/06/41/53/576064153.db2.gz JCEUKLDJDHLXDT-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000738373874 576064155 /nfs/dbraw/zinc/06/41/55/576064155.db2.gz JCEUKLDJDHLXDT-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)C1CC1 ZINC000763435990 576736949 /nfs/dbraw/zinc/73/69/49/576736949.db2.gz YRJBMMZMKYYBSI-NSHDSACASA-N -1 3 252.270 1.161 20 5 CDBDHM O=[N+]([O-])c1ccc(NC([O-])=NOCC(F)F)cc1 ZINC000758814399 577133517 /nfs/dbraw/zinc/13/35/17/577133517.db2.gz JBRCANQCKCNBOV-UHFFFAOYSA-N -1 3 261.184 1.913 20 5 CDBDHM O=C([N-]OCC(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000758814399 577133519 /nfs/dbraw/zinc/13/35/19/577133519.db2.gz JBRCANQCKCNBOV-UHFFFAOYSA-N -1 3 261.184 1.913 20 5 CDBDHM O=[N+]([O-])c1cnc(NCCC2CCC2)c(-c2nnn[n-]2)c1 ZINC000823651768 606728599 /nfs/dbraw/zinc/72/85/99/606728599.db2.gz PHXXBYSBJFIZJD-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM O=[N+]([O-])c1cnc(NCCC2CCC2)c(-c2nn[n-]n2)c1 ZINC000823651768 606728601 /nfs/dbraw/zinc/72/86/01/606728601.db2.gz PHXXBYSBJFIZJD-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM C[C@H](CCCO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820242333 606730781 /nfs/dbraw/zinc/73/07/81/606730781.db2.gz NACCZURACQUZKU-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@H](CCCO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820242333 606730782 /nfs/dbraw/zinc/73/07/82/606730782.db2.gz NACCZURACQUZKU-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM COc1c([O-])ccc(CN2CCO[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000892048356 617441793 /nfs/dbraw/zinc/44/17/93/617441793.db2.gz KEMMGKQCYIFVLX-NXEZZACHSA-N -1 3 296.323 1.918 20 5 CDBDHM COc1c([O-])ccc(CN2CC(F)C2)c1[N+](=O)[O-] ZINC000893521930 618025408 /nfs/dbraw/zinc/02/54/08/618025408.db2.gz JYPAVGFHJLKHRG-UHFFFAOYSA-N -1 3 256.233 1.463 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2N)n1 ZINC000790072362 1162123466 /nfs/dbraw/zinc/12/34/66/1162123466.db2.gz LDOXCTXVHQUQDB-UHFFFAOYSA-N -1 3 288.263 1.838 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Oc1cccnc1 ZINC001609601656 1165001574 /nfs/dbraw/zinc/00/15/74/1165001574.db2.gz SUFDOXVIPJPCGL-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Oc1cccnc1 ZINC001609601656 1165001580 /nfs/dbraw/zinc/00/15/80/1165001580.db2.gz SUFDOXVIPJPCGL-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM O=C([O-])CC1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001610759041 1165431473 /nfs/dbraw/zinc/43/14/73/1165431473.db2.gz ALBPQBIISREQSS-UHFFFAOYSA-N -1 3 290.279 1.568 20 5 CDBDHM CC(C)(O)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589333011 1173140054 /nfs/dbraw/zinc/14/00/54/1173140054.db2.gz KRIBBDFGIXVPTA-UHFFFAOYSA-N -1 3 292.299 1.348 20 5 CDBDHM Cc1cc(N2C[C@@H](C)[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591998978 1173766708 /nfs/dbraw/zinc/76/67/08/1173766708.db2.gz LPVXGOBQZFQWHR-BDAKNGLRSA-N -1 3 288.311 1.928 20 5 CDBDHM Cc1cc(N2C[C@@H](C)[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591998978 1173766713 /nfs/dbraw/zinc/76/67/13/1173766713.db2.gz LPVXGOBQZFQWHR-BDAKNGLRSA-N -1 3 288.311 1.928 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1ccccc1 ZINC001593470629 1174079475 /nfs/dbraw/zinc/07/94/75/1174079475.db2.gz JLZSBMCXIFWBMH-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1ccccc1 ZINC001593470629 1174079481 /nfs/dbraw/zinc/07/94/81/1174079481.db2.gz JLZSBMCXIFWBMH-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]1C(F)F ZINC001593469159 1174079843 /nfs/dbraw/zinc/07/98/43/1174079843.db2.gz YVMPIXROXUSDKF-QMMMGPOBSA-N -1 3 296.237 1.619 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]1C(F)F ZINC001593469159 1174079850 /nfs/dbraw/zinc/07/98/50/1174079850.db2.gz YVMPIXROXUSDKF-QMMMGPOBSA-N -1 3 296.237 1.619 20 5 CDBDHM O=[N+]([O-])c1cnn(-c2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001607086026 1164073715 /nfs/dbraw/zinc/07/37/15/1164073715.db2.gz QQDMUEFMMFQVLA-UHFFFAOYSA-N -1 3 275.203 1.100 20 5 CDBDHM O=[N+]([O-])c1cnn(-c2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001607086026 1164073721 /nfs/dbraw/zinc/07/37/21/1164073721.db2.gz QQDMUEFMMFQVLA-UHFFFAOYSA-N -1 3 275.203 1.100 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000826500604 783910754 /nfs/dbraw/zinc/91/07/54/783910754.db2.gz DZOVDHPELXFUOV-UHFFFAOYSA-N -1 3 297.225 1.015 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000826500604 783910759 /nfs/dbraw/zinc/91/07/59/783910759.db2.gz DZOVDHPELXFUOV-UHFFFAOYSA-N -1 3 297.225 1.015 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@H](C(F)F)C2)c1[N+](=O)[O-] ZINC000853574960 786089977 /nfs/dbraw/zinc/08/99/77/786089977.db2.gz WBZFDZBPGVNGGJ-ZETCQYMHSA-N -1 3 275.211 1.166 20 5 CDBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cnn[n-]1 ZINC000805604247 786376676 /nfs/dbraw/zinc/37/66/76/786376676.db2.gz ASMDFSVQPHXPQE-UHFFFAOYSA-N -1 3 282.643 1.723 20 5 CDBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1c[n-]nn1 ZINC000805604247 786376682 /nfs/dbraw/zinc/37/66/82/786376682.db2.gz ASMDFSVQPHXPQE-UHFFFAOYSA-N -1 3 282.643 1.723 20 5 CDBDHM Cc1cc(=O)[n-]c([C@@H](C)n2nc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000829837951 787158191 /nfs/dbraw/zinc/15/81/91/787158191.db2.gz PFTYKSYVVWJYEC-ZCFIWIBFSA-N -1 3 294.227 1.113 20 5 CDBDHM CCCO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000844086187 789303798 /nfs/dbraw/zinc/30/37/98/789303798.db2.gz OROMIJPZQZSEBA-UHFFFAOYSA-N -1 3 252.270 1.985 20 5 CDBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ncn(C)n1 ZINC000813243798 789838947 /nfs/dbraw/zinc/83/89/47/789838947.db2.gz YTMMJTCLXRRHLX-UHFFFAOYSA-N -1 3 279.231 1.423 20 5 CDBDHM CCC(=O)N(C)CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001112017131 898868743 /nfs/dbraw/zinc/86/87/43/898868743.db2.gz TYXIZRIZVBVNRO-UHFFFAOYSA-N -1 3 296.327 1.390 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CSCCS2)c1[N+](=O)[O-] ZINC000695466876 899480504 /nfs/dbraw/zinc/48/05/04/899480504.db2.gz BMXWIHYRGNUFCD-SSDOTTSWSA-N -1 3 287.366 1.956 20 5 CDBDHM Cc1ncc(Nc2nccc(Cl)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297366 922194210 /nfs/dbraw/zinc/19/42/10/922194210.db2.gz BGVHWZMHEYOGOX-SSDOTTSWSA-N -1 3 281.659 1.453 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnc(CO)c2)c1 ZINC001199818911 925855270 /nfs/dbraw/zinc/85/52/70/925855270.db2.gz GUMCCBIIZSMXKW-UHFFFAOYSA-N -1 3 261.237 1.931 20 5 CDBDHM Cc1cnc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001156279123 938345396 /nfs/dbraw/zinc/34/53/96/938345396.db2.gz RJIAYQQFUJMHEX-VIFPVBQESA-N -1 3 277.284 1.222 20 5 CDBDHM Cc1cc2[n-]c(O[C@@H]3COC(=O)C3)nc2cc1[N+](=O)[O-] ZINC001228675230 942353964 /nfs/dbraw/zinc/35/39/64/942353964.db2.gz OWTWRCVIEOHHLQ-ZETCQYMHSA-N -1 3 277.236 1.474 20 5 CDBDHM CC[C@H](COC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686788 942357885 /nfs/dbraw/zinc/35/78/85/942357885.db2.gz RCWRVTVATJUFSI-MRVPVSSYSA-N -1 3 256.258 1.808 20 5 CDBDHM C[C@H](C[N+](C)(C)C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-] ZINC001228972852 942401404 /nfs/dbraw/zinc/40/14/04/942401404.db2.gz FAIFROHDXXQKMC-MRVPVSSYSA-O -1 3 271.293 1.480 20 5 CDBDHM O=[N+]([O-])C[C@H](Oc1nc2c(cccc2[O-])[nH]1)C1CC1 ZINC001234448455 943841575 /nfs/dbraw/zinc/84/15/75/943841575.db2.gz WKLVWVXJCCSFLZ-JTQLQIEISA-N -1 3 263.253 1.703 20 5 CDBDHM O=c1nc(O[C@H](C[N+](=O)[O-])C2CC2)c2c([n-]1)CCCS2 ZINC001234907481 943971994 /nfs/dbraw/zinc/97/19/94/943971994.db2.gz YAEFGGZIYWBJCA-SECBINFHSA-N -1 3 297.336 1.655 20 5 CDBDHM O=C([O-])[C@H]1CC12CCN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC001262161656 946479951 /nfs/dbraw/zinc/47/99/51/946479951.db2.gz QCEGRCTYMIITRS-LLVKDONJSA-N -1 3 291.307 1.677 20 5 CDBDHM CC[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC001589554679 948778058 /nfs/dbraw/zinc/77/80/58/948778058.db2.gz UOMFEFJSPACHHT-MRVPVSSYSA-N -1 3 293.279 1.936 20 5 CDBDHM O=C([O-])[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001595189874 952275054 /nfs/dbraw/zinc/27/50/54/952275054.db2.gz HTSHMBXSGIBZAY-NWDGAFQWSA-N -1 3 264.281 1.063 20 5 CDBDHM CC[C@H](C(=O)[O-])N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001603500326 973466357 /nfs/dbraw/zinc/46/63/57/973466357.db2.gz FLGZSOPIMRBOLX-LLVKDONJSA-N -1 3 292.295 1.766 20 5 CDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001593717758 996236888 /nfs/dbraw/zinc/23/68/88/996236888.db2.gz RRECCWIHRYANSP-VWYCJHECSA-N -1 3 294.307 1.423 20 5 CDBDHM CN(CCCCCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606116954 1163779090 /nfs/dbraw/zinc/77/90/90/1163779090.db2.gz FJFLLLYDCJUOBZ-UHFFFAOYSA-N -1 3 296.323 1.887 20 5 CDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@@H]2C)n1 ZINC001600107626 1174363450 /nfs/dbraw/zinc/36/34/50/1174363450.db2.gz ZPKSFNKEEKNJDO-PSASIEDQSA-N -1 3 294.311 1.501 20 5 CDBDHM COC[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000076190521 342320087 /nfs/dbraw/zinc/32/00/87/342320087.db2.gz VGBOCSNHCDGGTA-SECBINFHSA-N -1 3 288.325 1.216 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000596112220 343230443 /nfs/dbraw/zinc/23/04/43/343230443.db2.gz JYPCCYSNAUNGMM-SNVBAGLBSA-N -1 3 289.295 1.733 20 5 CDBDHM CCOC[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596149952 343244765 /nfs/dbraw/zinc/24/47/65/343244765.db2.gz SALQFPPCTFWXBW-VIFPVBQESA-N -1 3 267.285 1.558 20 5 CDBDHM CO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000596262587 343278630 /nfs/dbraw/zinc/27/86/30/343278630.db2.gz HLYGVMYLHOYNPR-SNVBAGLBSA-N -1 3 281.312 1.947 20 5 CDBDHM C[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596266291 343280113 /nfs/dbraw/zinc/28/01/13/343280113.db2.gz PXTHSQRSMBHTME-JGVFFNPUSA-N -1 3 253.258 1.675 20 5 CDBDHM Cc1ncc(CNCc2ccc([N+](=O)[O-])cc2F)c(=O)[n-]1 ZINC000344320368 362568701 /nfs/dbraw/zinc/56/87/01/362568701.db2.gz CYNFOIARYRVYTI-UHFFFAOYSA-N -1 3 292.270 1.828 20 5 CDBDHM CN(C[C@H]1CCN(C)C1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000104919602 186031434 /nfs/dbraw/zinc/03/14/34/186031434.db2.gz RVBYVHASBNHBIQ-JTQLQIEISA-N -1 3 293.323 1.324 20 5 CDBDHM CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083976333 357363569 /nfs/dbraw/zinc/36/35/69/357363569.db2.gz BWPCLTKRITWIHB-UHFFFAOYSA-N -1 3 278.717 1.855 20 5 CDBDHM CCCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000019845292 358933406 /nfs/dbraw/zinc/93/34/06/358933406.db2.gz PHAZLQRCJRSBEL-UHFFFAOYSA-N -1 3 293.323 1.825 20 5 CDBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339623259 359418174 /nfs/dbraw/zinc/41/81/74/359418174.db2.gz MUURQGOXWUQGSS-GHMZBOCLSA-N -1 3 279.340 1.825 20 5 CDBDHM C[C@H](CN(C)c1c(F)cc([N+](=O)[O-])cc1F)c1nnn[n-]1 ZINC000129864799 360889243 /nfs/dbraw/zinc/88/92/43/360889243.db2.gz KFDKVCLXJIZZMP-ZCFIWIBFSA-N -1 3 298.253 1.626 20 5 CDBDHM C[C@H](CN(C)c1c(F)cc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC000129864799 360889246 /nfs/dbraw/zinc/88/92/46/360889246.db2.gz KFDKVCLXJIZZMP-ZCFIWIBFSA-N -1 3 298.253 1.626 20 5 CDBDHM NC1(c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)CCC1 ZINC000414629239 241284935 /nfs/dbraw/zinc/28/49/35/241284935.db2.gz QKYXZCUZNKJAPT-UHFFFAOYSA-N -1 3 276.252 1.688 20 5 CDBDHM C[C@H]1C[C@@H](CO)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420945766 374308835 /nfs/dbraw/zinc/30/88/35/374308835.db2.gz SCEVYVBIPCOQBI-WDEREUQCSA-N -1 3 280.324 1.751 20 5 CDBDHM CSCCO[N-]C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000279939828 374975714 /nfs/dbraw/zinc/97/57/14/374975714.db2.gz ILRMOKYZYHHAQE-UHFFFAOYSA-N -1 3 274.273 1.758 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CC2CC2)c([N+](=O)[O-])c1 ZINC000332143693 375008529 /nfs/dbraw/zinc/00/85/29/375008529.db2.gz MWBOMSUAWHDBEA-UHFFFAOYSA-N -1 3 270.310 1.592 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1[O-] ZINC000341550103 391450432 /nfs/dbraw/zinc/45/04/32/391450432.db2.gz BCMHFMZOEHOLFA-UHFFFAOYSA-N -1 3 290.279 1.834 20 5 CDBDHM COc1cc(CNCC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000459540412 392460108 /nfs/dbraw/zinc/46/01/08/392460108.db2.gz DQPYWWXRGXPKJB-UHFFFAOYSA-N -1 3 262.212 1.664 20 5 CDBDHM CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000595279966 392553294 /nfs/dbraw/zinc/55/32/94/392553294.db2.gz MMBJQZAQBVAAIO-QWHCGFSZSA-N -1 3 294.307 1.659 20 5 CDBDHM COC[C@@](C)(NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000328568994 149269265 /nfs/dbraw/zinc/26/92/65/149269265.db2.gz PZBHCLUGOJEZAO-CYBMUJFWSA-N -1 3 298.295 1.183 20 5 CDBDHM C[C@@H]1[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCN1C ZINC000346071752 153042861 /nfs/dbraw/zinc/04/28/61/153042861.db2.gz NRYCFCOBZGXCLQ-NOZJJQNGSA-N -1 3 293.323 1.513 20 5 CDBDHM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000358961235 158084320 /nfs/dbraw/zinc/08/43/20/158084320.db2.gz VENDAIGDQSOXIM-UHFFFAOYSA-N -1 3 297.296 1.076 20 5 CDBDHM CC[C@@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000044622348 175220569 /nfs/dbraw/zinc/22/05/69/175220569.db2.gz XKGACHCRWVCGKN-JTQLQIEISA-N -1 3 252.270 1.890 20 5 CDBDHM CCC(F)(F)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590452268 1173416203 /nfs/dbraw/zinc/41/62/03/1173416203.db2.gz WBKWSRMMZWJYRP-UHFFFAOYSA-N -1 3 299.241 1.627 20 5 CDBDHM CCC(F)(F)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590452268 1173416206 /nfs/dbraw/zinc/41/62/06/1173416206.db2.gz WBKWSRMMZWJYRP-UHFFFAOYSA-N -1 3 299.241 1.627 20 5 CDBDHM CO[C@@H](C)CN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591323133 1173610338 /nfs/dbraw/zinc/61/03/38/1173610338.db2.gz OHLWHRNGBWGJPJ-QMMMGPOBSA-N -1 3 292.299 1.246 20 5 CDBDHM CO[C@@H](C)CN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591323133 1173610343 /nfs/dbraw/zinc/61/03/43/1173610343.db2.gz OHLWHRNGBWGJPJ-QMMMGPOBSA-N -1 3 292.299 1.246 20 5 CDBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]CC(F)F)c1C ZINC000074969681 482455167 /nfs/dbraw/zinc/45/51/67/482455167.db2.gz AHXJJBXDKNDULS-UHFFFAOYSA-N -1 3 294.279 1.755 20 5 CDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)C ZINC001106681711 1161163354 /nfs/dbraw/zinc/16/33/54/1161163354.db2.gz DHNVWPXSPJKKLY-UHFFFAOYSA-N -1 3 296.327 1.612 20 5 CDBDHM Cc1cc(F)cc(C(=O)[N-]OCC(F)F)c1[N+](=O)[O-] ZINC000760148964 576461851 /nfs/dbraw/zinc/46/18/51/576461851.db2.gz ROYAKYZCKVQPKH-UHFFFAOYSA-N -1 3 278.186 1.969 20 5 CDBDHM CC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820596510 599092430 /nfs/dbraw/zinc/09/24/30/599092430.db2.gz QFLBSPHMBYTXAM-UHFFFAOYSA-N -1 3 289.299 1.406 20 5 CDBDHM CC1(C)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820596510 599092433 /nfs/dbraw/zinc/09/24/33/599092433.db2.gz QFLBSPHMBYTXAM-UHFFFAOYSA-N -1 3 289.299 1.406 20 5 CDBDHM C[C@@H](CCCO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820242335 606730519 /nfs/dbraw/zinc/73/05/19/606730519.db2.gz NACCZURACQUZKU-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](CCCO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820242335 606730521 /nfs/dbraw/zinc/73/05/21/606730521.db2.gz NACCZURACQUZKU-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001607084431 1164074009 /nfs/dbraw/zinc/07/40/09/1164074009.db2.gz FVAKDMYHCZANIA-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001607084431 1164074019 /nfs/dbraw/zinc/07/40/19/1164074019.db2.gz FVAKDMYHCZANIA-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001609602552 1165001732 /nfs/dbraw/zinc/00/17/32/1165001732.db2.gz UMHUIVFACQIUST-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001609602552 1165001737 /nfs/dbraw/zinc/00/17/37/1165001737.db2.gz UMHUIVFACQIUST-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM C[C@H]1C[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590222994 1173304024 /nfs/dbraw/zinc/30/40/24/1173304024.db2.gz YJGDKHLUKDGBCN-YUMQZZPRSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@H]1C[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590222994 1173304031 /nfs/dbraw/zinc/30/40/31/1173304031.db2.gz YJGDKHLUKDGBCN-YUMQZZPRSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590273963 1173336510 /nfs/dbraw/zinc/33/65/10/1173336510.db2.gz CTQQHVUMOFLTCD-ZETCQYMHSA-N -1 3 289.299 1.203 20 5 CDBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590273963 1173336519 /nfs/dbraw/zinc/33/65/19/1173336519.db2.gz CTQQHVUMOFLTCD-ZETCQYMHSA-N -1 3 289.299 1.203 20 5 CDBDHM CCC1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590522588 1173448446 /nfs/dbraw/zinc/44/84/46/1173448446.db2.gz GXIBNDMLTKVFLZ-UHFFFAOYSA-N -1 3 275.272 1.016 20 5 CDBDHM CCC1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590522588 1173448450 /nfs/dbraw/zinc/44/84/50/1173448450.db2.gz GXIBNDMLTKVFLZ-UHFFFAOYSA-N -1 3 275.272 1.016 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ncccn2)c(-c2nnn[n-]2)c1 ZINC001593478410 1174081373 /nfs/dbraw/zinc/08/13/73/1174081373.db2.gz FQJLOOYTCRBHJL-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ncccn2)c(-c2nn[n-]n2)c1 ZINC001593478410 1174081380 /nfs/dbraw/zinc/08/13/80/1174081380.db2.gz FQJLOOYTCRBHJL-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CO1 ZINC001603861287 1175658105 /nfs/dbraw/zinc/65/81/05/1175658105.db2.gz LNLIVRFLSHMDQJ-HTQZYQBOSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CO1 ZINC001603861287 1175658107 /nfs/dbraw/zinc/65/81/07/1175658107.db2.gz LNLIVRFLSHMDQJ-HTQZYQBOSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H](O)[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001609788514 1165082032 /nfs/dbraw/zinc/08/20/32/1165082032.db2.gz KDIJHEOXOQUHLC-KOLCDFICSA-N -1 3 294.307 1.496 20 5 CDBDHM O=[N+]([O-])c1ccc(F)cc1CSCCc1nnn[n-]1 ZINC000882186959 791082097 /nfs/dbraw/zinc/08/20/97/791082097.db2.gz CDKZYKONUXUEHB-UHFFFAOYSA-N -1 3 283.288 1.723 20 5 CDBDHM O=[N+]([O-])c1ccc(F)cc1CSCCc1nn[n-]n1 ZINC000882186959 791082103 /nfs/dbraw/zinc/08/21/03/791082103.db2.gz CDKZYKONUXUEHB-UHFFFAOYSA-N -1 3 283.288 1.723 20 5 CDBDHM COc1cc(COC(=O)c2cnn[n-]2)c([N+](=O)[O-])cc1F ZINC000805603265 791108626 /nfs/dbraw/zinc/10/86/26/791108626.db2.gz JVFHCZBMOCJBOC-UHFFFAOYSA-N -1 3 296.214 1.218 20 5 CDBDHM COc1cc(COC(=O)c2c[n-]nn2)c([N+](=O)[O-])cc1F ZINC000805603265 791108630 /nfs/dbraw/zinc/10/86/30/791108630.db2.gz JVFHCZBMOCJBOC-UHFFFAOYSA-N -1 3 296.214 1.218 20 5 CDBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000853377730 796035069 /nfs/dbraw/zinc/03/50/69/796035069.db2.gz DQNQSCCQVVTHAZ-GFCCVEGCSA-N -1 3 279.252 1.608 20 5 CDBDHM CCC[C@@H](CC(=O)OC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666453 903639748 /nfs/dbraw/zinc/63/97/48/903639748.db2.gz IZGMMKSTVQXWAN-QMMMGPOBSA-N -1 3 284.268 1.806 20 5 CDBDHM Cc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC001199802087 925868171 /nfs/dbraw/zinc/86/81/71/925868171.db2.gz LCPCAROTJQDWMF-UHFFFAOYSA-N -1 3 262.225 1.848 20 5 CDBDHM NC(=O)c1cc(O)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201231050 926226066 /nfs/dbraw/zinc/22/60/66/926226066.db2.gz CBSMLSOMCGOYKG-UHFFFAOYSA-N -1 3 289.247 1.849 20 5 CDBDHM COc1ccnc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC001169727292 928349304 /nfs/dbraw/zinc/34/93/04/928349304.db2.gz VBKXCXAQSUOJPJ-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM CCOc1nc(Nc2cnc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC001162303874 938975570 /nfs/dbraw/zinc/97/55/70/938975570.db2.gz YQBPHEANXZRGEL-QMMMGPOBSA-N -1 3 291.267 1.198 20 5 CDBDHM CCOC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692110 942205754 /nfs/dbraw/zinc/20/57/54/942205754.db2.gz UHGGGQSBDAAZPJ-ZETCQYMHSA-N -1 3 266.257 1.670 20 5 CDBDHM C[C@H](CON)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743103 942216222 /nfs/dbraw/zinc/21/62/22/942216222.db2.gz JEKGCTIMADRCFW-ZCFIWIBFSA-N -1 3 252.230 1.129 20 5 CDBDHM C[C@H](CON)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743103 942216218 /nfs/dbraw/zinc/21/62/18/942216218.db2.gz JEKGCTIMADRCFW-ZCFIWIBFSA-N -1 3 252.230 1.129 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC001228686556 942357734 /nfs/dbraw/zinc/35/77/34/942357734.db2.gz OIAADJDFUDAFTO-MRVPVSSYSA-N -1 3 254.242 1.562 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(OC2CN(C(C)(C)C)C2)n1 ZINC001231259438 942836608 /nfs/dbraw/zinc/83/66/08/942836608.db2.gz LNOSGOMZVPZQHY-UHFFFAOYSA-N -1 3 281.312 1.865 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ocnc1C1CC1 ZINC001261139192 945975440 /nfs/dbraw/zinc/97/54/40/945975440.db2.gz IKNOFPSPCWJEBV-UHFFFAOYSA-N -1 3 277.240 1.446 20 5 CDBDHM Cc1nnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1C1CC1 ZINC001327660316 954985099 /nfs/dbraw/zinc/98/50/99/954985099.db2.gz HNQKCHACFCCXPH-UHFFFAOYSA-N -1 3 290.283 1.542 20 5 CDBDHM Cc1c([C@@H](C)NCCOCC(=O)[O-])cccc1[N+](=O)[O-] ZINC001594259608 959682971 /nfs/dbraw/zinc/68/29/71/959682971.db2.gz RQTUMEUHUDVYAQ-SNVBAGLBSA-N -1 3 282.296 1.655 20 5 CDBDHM Cn1c(-c2cc([N+](=O)[O-])c[n-]c2=O)nnc1N1CCCC1 ZINC001514595265 976312875 /nfs/dbraw/zinc/31/28/75/976312875.db2.gz OOSPYILRHIPDGN-UHFFFAOYSA-N -1 3 290.283 1.091 20 5 CDBDHM CC(COC(=O)c1cccc(C(=O)[O-])c1)[N+](=O)[O-] ZINC001592771931 979389001 /nfs/dbraw/zinc/38/90/01/979389001.db2.gz KKCQCTAAJZGONK-ZETCQYMHSA-N -1 3 253.210 1.207 20 5 CDBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC001598507874 992529855 /nfs/dbraw/zinc/52/98/55/992529855.db2.gz WBPUGYSISDJLBH-CHWSQXEVSA-N -1 3 294.307 1.638 20 5 CDBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CCC(F)(F)F)c1 ZINC000145860449 342451985 /nfs/dbraw/zinc/45/19/85/342451985.db2.gz FVADZZZMAQSXIM-UHFFFAOYSA-N -1 3 298.242 1.826 20 5 CDBDHM COC(=O)c1ccsc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000590552715 342576366 /nfs/dbraw/zinc/57/63/66/342576366.db2.gz SEMHBPNVUVTSBC-UHFFFAOYSA-N -1 3 296.264 1.418 20 5 CDBDHM COC[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593736623 342830941 /nfs/dbraw/zinc/83/09/41/342830941.db2.gz OYHWWQWXPDNIRU-SNVBAGLBSA-N -1 3 294.307 1.761 20 5 CDBDHM O=c1[n-]ccc(NCC2(O)CCCCC2)c1[N+](=O)[O-] ZINC000596106122 343228378 /nfs/dbraw/zinc/22/83/78/343228378.db2.gz OZAGTMRRCMBLFO-UHFFFAOYSA-N -1 3 267.285 1.803 20 5 CDBDHM CN(C)c1nccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596185438 343251560 /nfs/dbraw/zinc/25/15/60/343251560.db2.gz LNVPBRZQVILIJP-UHFFFAOYSA-N -1 3 290.283 1.164 20 5 CDBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596244777 343285777 /nfs/dbraw/zinc/28/57/77/343285777.db2.gz STEUORZZAGQVOB-SECBINFHSA-N -1 3 253.258 1.532 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000596206384 343265990 /nfs/dbraw/zinc/26/59/90/343265990.db2.gz JXYOSPQNROWVCI-JGVFFNPUSA-N -1 3 253.258 1.268 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000596220813 343270398 /nfs/dbraw/zinc/27/03/98/343270398.db2.gz BRJAMRDUVOQMMJ-LDYMZIIASA-N -1 3 279.296 1.699 20 5 CDBDHM C[C@@H](CC(C)(C)O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596251795 343274875 /nfs/dbraw/zinc/27/48/75/343274875.db2.gz YHONHDZQSOHYJE-ZETCQYMHSA-N -1 3 255.274 1.657 20 5 CDBDHM CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1 ZINC000598571985 343832941 /nfs/dbraw/zinc/83/29/41/343832941.db2.gz JJAHQBOAIGDPPQ-NSHDSACASA-N -1 3 293.323 1.370 20 5 CDBDHM CC(C)[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1 ZINC000598573793 343833568 /nfs/dbraw/zinc/83/35/68/343833568.db2.gz OSAJPPKAMKSHOT-ZDUSSCGKSA-N -1 3 293.323 1.370 20 5 CDBDHM CC(C)O[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000295736606 199641799 /nfs/dbraw/zinc/64/17/99/199641799.db2.gz SEQLFAPULSZBJG-UHFFFAOYSA-N -1 3 252.270 1.984 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189435512 358010824 /nfs/dbraw/zinc/01/08/24/358010824.db2.gz SVEDAQUXNFPHFK-SNVBAGLBSA-N -1 3 295.295 1.993 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cccc(F)c1F ZINC000347140390 359188343 /nfs/dbraw/zinc/18/83/43/359188343.db2.gz RDLIACIZERZNKD-UHFFFAOYSA-N -1 3 282.206 1.859 20 5 CDBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]OCCCOC ZINC000287950835 359139170 /nfs/dbraw/zinc/13/91/70/359139170.db2.gz WODIGROWJKEONY-UHFFFAOYSA-N -1 3 298.295 1.691 20 5 CDBDHM CNc1nc(C(=O)N=c2[n-]oc(C)c2C)ccc1[N+](=O)[O-] ZINC000412365852 240172326 /nfs/dbraw/zinc/17/23/26/240172326.db2.gz KMTKEKRLMRBQDF-UHFFFAOYSA-N -1 3 291.267 1.311 20 5 CDBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000330455454 296134909 /nfs/dbraw/zinc/13/49/09/296134909.db2.gz NVXAIJZHLXUNEX-ZJUUUORDSA-N -1 3 266.297 1.815 20 5 CDBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[O-] ZINC000180507077 373001927 /nfs/dbraw/zinc/00/19/27/373001927.db2.gz XQGLEGHDVMIFHW-UHFFFAOYSA-N -1 3 274.236 1.530 20 5 CDBDHM Cc1c(CN(C)[C@@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000054068078 376498414 /nfs/dbraw/zinc/49/84/14/376498414.db2.gz SOUNFLGTFUZULH-VIFPVBQESA-N -1 3 252.270 1.808 20 5 CDBDHM CC(=O)c1[n-]c(=NCCn2cc([N+](=O)[O-])cn2)sc1C ZINC000450383821 251255547 /nfs/dbraw/zinc/25/55/47/251255547.db2.gz AKJFZDBQPMLZND-UHFFFAOYSA-N -1 3 295.324 1.293 20 5 CDBDHM CCc1[nH]nc(C(=O)Nc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000185852973 391013992 /nfs/dbraw/zinc/01/39/92/391013992.db2.gz ZIBFTTBWKPIPGC-UHFFFAOYSA-N -1 3 276.252 1.838 20 5 CDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000191216377 130202814 /nfs/dbraw/zinc/20/28/14/130202814.db2.gz JIAWVNYTZXYFPM-VIFPVBQESA-N -1 3 288.325 1.216 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ccoc1Cl ZINC000192357198 392061666 /nfs/dbraw/zinc/06/16/66/392061666.db2.gz UVAXRZDWRLYQOO-UHFFFAOYSA-N -1 3 270.632 1.827 20 5 CDBDHM CCn1nc(C)c([N+](=O)[O-])c1NCCc1c(C)[n-][nH]c1=O ZINC000530475024 393051415 /nfs/dbraw/zinc/05/14/15/393051415.db2.gz JSOBKBVFZXXHMG-SECBINFHSA-N -1 3 294.315 1.044 20 5 CDBDHM O=C(Nc1ccc2n[nH]cc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186855391 140071072 /nfs/dbraw/zinc/07/10/72/140071072.db2.gz BAXMAGWMEFRMPX-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185072444 262300761 /nfs/dbraw/zinc/30/07/61/262300761.db2.gz VYRUHFWCCGPKDC-UHFFFAOYSA-N -1 3 279.296 1.126 20 5 CDBDHM C[C@@H]1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590275453 1173334984 /nfs/dbraw/zinc/33/49/84/1173334984.db2.gz CEIKBYMLBOKYII-MRVPVSSYSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@@H]1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590275453 1173334990 /nfs/dbraw/zinc/33/49/90/1173334990.db2.gz CEIKBYMLBOKYII-MRVPVSSYSA-N -1 3 274.284 1.621 20 5 CDBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2ccoc2)c1 ZINC000551963476 290033559 /nfs/dbraw/zinc/03/35/59/290033559.db2.gz FMXMVWINHJVIEF-UHFFFAOYSA-N -1 3 282.277 1.666 20 5 CDBDHM COc1cnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000556811144 290301857 /nfs/dbraw/zinc/30/18/57/290301857.db2.gz MCABDERDNYDHJO-UHFFFAOYSA-N -1 3 296.264 1.413 20 5 CDBDHM Cc1ccc(CN[C@@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000340671536 524601765 /nfs/dbraw/zinc/60/17/65/524601765.db2.gz ALVWELGHGPOBKE-ZDUSSCGKSA-N -1 3 280.280 1.237 20 5 CDBDHM CN1CCC(ONC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000773551617 575824117 /nfs/dbraw/zinc/82/41/17/575824117.db2.gz JTDCKJFAAVKCSC-UHFFFAOYSA-N -1 3 295.295 1.056 20 5 CDBDHM CCOCCO[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000773920954 575844608 /nfs/dbraw/zinc/84/46/08/575844608.db2.gz ZFWSPFKEGKLHMX-UHFFFAOYSA-N -1 3 284.268 1.301 20 5 CDBDHM CNc1c(C(=O)[N-]n2ccccc2=O)cccc1[N+](=O)[O-] ZINC000765867052 576061461 /nfs/dbraw/zinc/06/14/61/576061461.db2.gz QBBPNZYXKQYNTA-UHFFFAOYSA-N -1 3 288.263 1.182 20 5 CDBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](C)O ZINC000820467227 599100356 /nfs/dbraw/zinc/10/03/56/599100356.db2.gz CBLMPTKJULFSDZ-NKWVEPMBSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](C)O ZINC000820467227 599100357 /nfs/dbraw/zinc/10/03/57/599100357.db2.gz CBLMPTKJULFSDZ-NKWVEPMBSA-N -1 3 295.324 1.636 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC=CCC2)c(-c2nnn[n-]2)c1 ZINC000826498284 609431014 /nfs/dbraw/zinc/43/10/14/609431014.db2.gz OIULSWMCQZWDDS-UHFFFAOYSA-N -1 3 272.268 1.541 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC=CCC2)c(-c2nn[n-]n2)c1 ZINC000826498284 609431015 /nfs/dbraw/zinc/43/10/15/609431015.db2.gz OIULSWMCQZWDDS-UHFFFAOYSA-N -1 3 272.268 1.541 20 5 CDBDHM CCc1cn(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001604537142 1163222888 /nfs/dbraw/zinc/22/28/88/1163222888.db2.gz ZQCVPSHUJWFHDR-UHFFFAOYSA-N -1 3 299.294 1.582 20 5 CDBDHM CCc1cn(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001604537142 1163222895 /nfs/dbraw/zinc/22/28/95/1163222895.db2.gz ZQCVPSHUJWFHDR-UHFFFAOYSA-N -1 3 299.294 1.582 20 5 CDBDHM O=[N+]([O-])c1ccc(OCc2ncc(-c3nnn[n-]3)cn2)cc1 ZINC001607082622 1164070568 /nfs/dbraw/zinc/07/05/68/1164070568.db2.gz UHHQNQSREAPELQ-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM O=[N+]([O-])c1ccc(OCc2ncc(-c3nn[n-]n3)cn2)cc1 ZINC001607082622 1164070573 /nfs/dbraw/zinc/07/05/73/1164070573.db2.gz UHHQNQSREAPELQ-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590312488 1173348371 /nfs/dbraw/zinc/34/83/71/1173348371.db2.gz OGFMGJSJAQWOJR-SFYZADRCSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590312488 1173348379 /nfs/dbraw/zinc/34/83/79/1173348379.db2.gz OGFMGJSJAQWOJR-SFYZADRCSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])[C@H]1C ZINC001590313884 1173350497 /nfs/dbraw/zinc/35/04/97/1173350497.db2.gz OUGQBDDMAUTXGA-YUMQZZPRSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[C@H]1C ZINC001590313884 1173350501 /nfs/dbraw/zinc/35/05/01/1173350501.db2.gz OUGQBDDMAUTXGA-YUMQZZPRSA-N -1 3 274.284 1.620 20 5 CDBDHM CC(C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001603971639 1175703475 /nfs/dbraw/zinc/70/34/75/1175703475.db2.gz IMLAJZPNCOMSOD-JTQLQIEISA-N -1 3 281.268 1.215 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NC/C=C\Cl)c1-c1nnn[n-]1 ZINC001606451039 1163906427 /nfs/dbraw/zinc/90/64/27/1163906427.db2.gz DONLJJWRBYYXTO-RJRFIUFISA-N -1 3 295.690 1.522 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NC/C=C\Cl)c1-c1nn[n-]n1 ZINC001606451039 1163906430 /nfs/dbraw/zinc/90/64/30/1163906430.db2.gz DONLJJWRBYYXTO-RJRFIUFISA-N -1 3 295.690 1.522 20 5 CDBDHM O=C([O-])CN(Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC001608748094 1164627337 /nfs/dbraw/zinc/62/73/37/1164627337.db2.gz KJIODVWBYKMNNZ-UHFFFAOYSA-N -1 3 295.295 1.055 20 5 CDBDHM CC1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])OCCO1 ZINC000716002888 797067140 /nfs/dbraw/zinc/06/71/40/797067140.db2.gz UHQQKLZYPLBUBW-UHFFFAOYSA-N -1 3 269.257 1.260 20 5 CDBDHM COCCO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000156175281 936737748 /nfs/dbraw/zinc/73/77/48/936737748.db2.gz KSIJFLYDUVTKTQ-UHFFFAOYSA-N -1 3 274.660 1.556 20 5 CDBDHM O=[N+]([O-])c1c[nH]c2ncnc(NCc3ncccc3[O-])c12 ZINC001169732144 928395220 /nfs/dbraw/zinc/39/52/20/928395220.db2.gz IQUKIANGIKDAMC-UHFFFAOYSA-N -1 3 286.251 1.530 20 5 CDBDHM CC(C)(O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000719651779 934858552 /nfs/dbraw/zinc/85/85/52/934858552.db2.gz KJSUMZHANQRKPL-VIFPVBQESA-N -1 3 281.312 1.683 20 5 CDBDHM COC(=O)[C@@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665596 941896742 /nfs/dbraw/zinc/89/67/42/941896742.db2.gz BZKNZRYQPALZQD-SFYZADRCSA-N -1 3 282.252 1.416 20 5 CDBDHM CCc1nnc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001255113637 947738436 /nfs/dbraw/zinc/73/84/36/947738436.db2.gz DVUFZVRNOKXKGH-UHFFFAOYSA-N -1 3 277.162 1.949 20 5 CDBDHM CCc1nnc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001255113637 947738445 /nfs/dbraw/zinc/73/84/45/947738445.db2.gz DVUFZVRNOKXKGH-UHFFFAOYSA-N -1 3 277.162 1.949 20 5 CDBDHM CCCc1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001254000430 952169919 /nfs/dbraw/zinc/16/99/19/952169919.db2.gz MGMBGQUMFVCILU-UHFFFAOYSA-N -1 3 250.214 1.698 20 5 CDBDHM CCC(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100445672 968376656 /nfs/dbraw/zinc/37/66/56/968376656.db2.gz TWPOSKIPRXKKJH-UHFFFAOYSA-N -1 3 282.300 1.048 20 5 CDBDHM COc1cc(CN[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001604716644 973916834 /nfs/dbraw/zinc/91/68/34/973916834.db2.gz TWWDCNXEBBGPMG-ZETCQYMHSA-N -1 3 284.268 1.175 20 5 CDBDHM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](C)CO ZINC001592755499 979332173 /nfs/dbraw/zinc/33/21/73/979332173.db2.gz IZFHTJKFZBWLDF-RKDXNWHRSA-N -1 3 282.296 1.400 20 5 CDBDHM CC(C)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596188605 343252319 /nfs/dbraw/zinc/25/23/19/343252319.db2.gz YSUXKIYBDKBGGD-SNVBAGLBSA-N -1 3 267.285 1.557 20 5 CDBDHM COCCC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596239672 343283988 /nfs/dbraw/zinc/28/39/88/343283988.db2.gz UEJLQWSYSOCQBF-UHFFFAOYSA-N -1 3 267.285 1.558 20 5 CDBDHM CC[C@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596253599 343275319 /nfs/dbraw/zinc/27/53/19/343275319.db2.gz CAANHTMNYHPSBV-LLVKDONJSA-N -1 3 255.274 1.922 20 5 CDBDHM Cn1ncc(C2CC2)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596474190 343326149 /nfs/dbraw/zinc/32/61/49/343326149.db2.gz WHMKILZJCBIGAE-UHFFFAOYSA-N -1 3 289.295 1.918 20 5 CDBDHM O=[N+]([O-])c1cnn(CCNCc2cccc([O-])c2Cl)c1 ZINC000293205586 362540151 /nfs/dbraw/zinc/54/01/51/362540151.db2.gz IYZDJRLIDNMMCW-UHFFFAOYSA-N -1 3 296.714 1.940 20 5 CDBDHM O=C([O-])[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000062134454 363013990 /nfs/dbraw/zinc/01/39/90/363013990.db2.gz XEWUSLIHHQCUNZ-JTQLQIEISA-N -1 3 250.254 1.501 20 5 CDBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN(C)C1 ZINC000182048902 357403595 /nfs/dbraw/zinc/40/35/95/357403595.db2.gz GRVQMJSVZVSEQS-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM COCCCO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000286816690 358012057 /nfs/dbraw/zinc/01/20/57/358012057.db2.gz AHIILTSCXVXTHN-UHFFFAOYSA-N -1 3 282.296 1.612 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1[N-]c1cc(C2CC2)n(C)n1 ZINC000290944835 358790394 /nfs/dbraw/zinc/79/03/94/358790394.db2.gz CDWQXOIZSXJUFI-UHFFFAOYSA-N -1 3 262.273 1.683 20 5 CDBDHM CCN1CCC[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166654181 360208498 /nfs/dbraw/zinc/20/84/98/360208498.db2.gz UVISFZOYLMDTES-SECBINFHSA-N -1 3 294.311 1.584 20 5 CDBDHM Cc1ccc([C@@H](C)NC(=O)c2c[n-]nn2)cc1[N+](=O)[O-] ZINC000177866407 189075528 /nfs/dbraw/zinc/07/55/28/189075528.db2.gz JTVJKJIEMPVXMO-MRVPVSSYSA-N -1 3 275.268 1.512 20 5 CDBDHM Cc1ccc([C@@H](C)NC(=O)c2cnn[n-]2)cc1[N+](=O)[O-] ZINC000177866407 189075529 /nfs/dbraw/zinc/07/55/29/189075529.db2.gz JTVJKJIEMPVXMO-MRVPVSSYSA-N -1 3 275.268 1.512 20 5 CDBDHM Cc1ccc([C@@H](C)NC(=O)c2cn[n-]n2)cc1[N+](=O)[O-] ZINC000177866407 189075530 /nfs/dbraw/zinc/07/55/30/189075530.db2.gz JTVJKJIEMPVXMO-MRVPVSSYSA-N -1 3 275.268 1.512 20 5 CDBDHM O=C([N-]c1nncn1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000285749447 239137353 /nfs/dbraw/zinc/13/73/53/239137353.db2.gz JVPYVDFMZNWDAY-UHFFFAOYSA-N -1 3 291.242 1.913 20 5 CDBDHM C[C@H](CN(C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000042705541 364614803 /nfs/dbraw/zinc/61/48/03/364614803.db2.gz SNHTXWQODZVFFA-SECBINFHSA-N -1 3 252.270 1.747 20 5 CDBDHM CCN1CCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272555164 367763719 /nfs/dbraw/zinc/76/37/19/367763719.db2.gz HTOMUWDJNQPZEA-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM O=C([O-])CC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000424256908 374405619 /nfs/dbraw/zinc/40/56/19/374405619.db2.gz JSRSTYIFZLSTBY-NSHDSACASA-N -1 3 296.327 1.511 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@H](F)C1 ZINC000344889349 375649458 /nfs/dbraw/zinc/64/94/58/375649458.db2.gz CNJDGWSOIZOGJZ-DTWKUNHWSA-N -1 3 288.300 1.764 20 5 CDBDHM NC(=O)c1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000352185126 155005921 /nfs/dbraw/zinc/00/59/21/155005921.db2.gz ZYHMAIVUANXAKK-UHFFFAOYSA-N -1 3 293.210 1.678 20 5 CDBDHM COc1ccc(CN(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000035304171 172118488 /nfs/dbraw/zinc/11/84/88/172118488.db2.gz CNPFQLHFWJGPMI-UHFFFAOYSA-N -1 3 254.242 1.120 20 5 CDBDHM CC(C)CONc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589647203 1173166433 /nfs/dbraw/zinc/16/64/33/1173166433.db2.gz FIOLDVDEWAVIGD-UHFFFAOYSA-N -1 3 278.272 1.774 20 5 CDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000532868019 282056626 /nfs/dbraw/zinc/05/66/26/282056626.db2.gz TUWZSQFIMDCKRS-UHFFFAOYSA-N -1 3 293.254 1.708 20 5 CDBDHM COc1cccc(C(=O)[N-]c2nnc(C)n2C)c1[N+](=O)[O-] ZINC000435991859 295289181 /nfs/dbraw/zinc/28/91/81/295289181.db2.gz GMEPLNPRXONNAC-UHFFFAOYSA-N -1 3 291.267 1.293 20 5 CDBDHM CC[C@H](CO)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590867897 1173533121 /nfs/dbraw/zinc/53/31/21/1173533121.db2.gz NCWLTWSIHVUBKN-ZCFIWIBFSA-N -1 3 296.262 1.097 20 5 CDBDHM CC(C)(C(=O)[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000578656235 323991770 /nfs/dbraw/zinc/99/17/70/323991770.db2.gz MZVRYCNQDVTBCD-UHFFFAOYSA-N -1 3 293.323 1.580 20 5 CDBDHM CO[C@H](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736962300 575777229 /nfs/dbraw/zinc/77/72/29/575777229.db2.gz OBJQKEPOFLOAJR-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM CO[C@H](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736962300 575777231 /nfs/dbraw/zinc/77/72/31/575777231.db2.gz OBJQKEPOFLOAJR-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820467559 599100353 /nfs/dbraw/zinc/10/03/53/599100353.db2.gz JOZKNNORWKYFKV-WDSKDSINSA-N -1 3 296.312 1.031 20 5 CDBDHM C[C@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824677804 608098469 /nfs/dbraw/zinc/09/84/69/608098469.db2.gz HSPNPSDWKJRIES-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824677804 608098470 /nfs/dbraw/zinc/09/84/70/608098470.db2.gz HSPNPSDWKJRIES-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NC2CCC2)c1-c1nnn[n-]1 ZINC001606451946 1163906121 /nfs/dbraw/zinc/90/61/21/1163906121.db2.gz UVBGYYZTYAESLL-UHFFFAOYSA-N -1 3 275.272 1.322 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NC2CCC2)c1-c1nn[n-]n1 ZINC001606451946 1163906129 /nfs/dbraw/zinc/90/61/29/1163906129.db2.gz UVBGYYZTYAESLL-UHFFFAOYSA-N -1 3 275.272 1.322 20 5 CDBDHM CC1=CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609151152 1164800825 /nfs/dbraw/zinc/80/08/25/1164800825.db2.gz CPGFBDUMKULSRF-UHFFFAOYSA-N -1 3 286.295 1.931 20 5 CDBDHM C[C@@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609156839 1164802217 /nfs/dbraw/zinc/80/22/17/1164802217.db2.gz MLJMZKSCGCYQGM-KNVOCYPGSA-N -1 3 275.272 1.157 20 5 CDBDHM C[C@@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609156839 1164802224 /nfs/dbraw/zinc/80/22/24/1164802224.db2.gz MLJMZKSCGCYQGM-KNVOCYPGSA-N -1 3 275.272 1.157 20 5 CDBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(F)F ZINC001609278241 1164877674 /nfs/dbraw/zinc/87/76/74/1164877674.db2.gz CWWJRNDAYAFUCB-UHFFFAOYSA-N -1 3 298.253 1.472 20 5 CDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])CC(F)F ZINC001609278241 1164877677 /nfs/dbraw/zinc/87/76/77/1164877677.db2.gz CWWJRNDAYAFUCB-UHFFFAOYSA-N -1 3 298.253 1.472 20 5 CDBDHM CC1(C)CC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590092446 1173254989 /nfs/dbraw/zinc/25/49/89/1173254989.db2.gz IQJHYUQEAWMLHM-VIFPVBQESA-N -1 3 289.299 1.770 20 5 CDBDHM CC1(C)CC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590092446 1173254994 /nfs/dbraw/zinc/25/49/94/1173254994.db2.gz IQJHYUQEAWMLHM-VIFPVBQESA-N -1 3 289.299 1.770 20 5 CDBDHM CCOCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590814692 1173520466 /nfs/dbraw/zinc/52/04/66/1173520466.db2.gz JUMJGZLKZPXVFV-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM CCOCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590814692 1173520472 /nfs/dbraw/zinc/52/04/72/1173520472.db2.gz JUMJGZLKZPXVFV-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM CC[C@H](CO)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590867897 1173533115 /nfs/dbraw/zinc/53/31/15/1173533115.db2.gz NCWLTWSIHVUBKN-ZCFIWIBFSA-N -1 3 296.262 1.097 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001593473508 1174082499 /nfs/dbraw/zinc/08/24/99/1174082499.db2.gz GHWXEGBVMAPLNN-VIFPVBQESA-N -1 3 290.283 1.366 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001600304687 1174441941 /nfs/dbraw/zinc/44/19/41/1174441941.db2.gz GJPNDYSXJLGPPK-AAEUAGOBSA-N -1 3 294.307 1.171 20 5 CDBDHM C[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CO1 ZINC001603861293 1175657307 /nfs/dbraw/zinc/65/73/07/1175657307.db2.gz LNLIVRFLSHMDQJ-YUMQZZPRSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CO1 ZINC001603861293 1175657308 /nfs/dbraw/zinc/65/73/08/1175657308.db2.gz LNLIVRFLSHMDQJ-YUMQZZPRSA-N -1 3 290.283 1.364 20 5 CDBDHM CC1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C(=O)O1 ZINC000853457914 805079360 /nfs/dbraw/zinc/07/93/60/805079360.db2.gz ZNVWRCFCXGLTJS-ZETCQYMHSA-N -1 3 267.241 1.201 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC=C(F)C1 ZINC000826497721 813878649 /nfs/dbraw/zinc/87/86/49/813878649.db2.gz RMVSXIAIULYCLF-UHFFFAOYSA-N -1 3 290.258 1.838 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC=C(F)C1 ZINC000826497721 813878652 /nfs/dbraw/zinc/87/86/52/813878652.db2.gz RMVSXIAIULYCLF-UHFFFAOYSA-N -1 3 290.258 1.838 20 5 CDBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnn(C)n1 ZINC000791060561 814649394 /nfs/dbraw/zinc/64/93/94/814649394.db2.gz CFQLHUXTCRKEHS-UHFFFAOYSA-N -1 3 279.231 1.423 20 5 CDBDHM COCn1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199819103 925854470 /nfs/dbraw/zinc/85/44/70/925854470.db2.gz KSFSWGQKQVLOOL-UHFFFAOYSA-N -1 3 264.241 1.844 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccnn2C2COC2)c1 ZINC001199815241 925875832 /nfs/dbraw/zinc/87/58/32/925875832.db2.gz XCXKANXKKAFSLM-UHFFFAOYSA-N -1 3 276.252 1.812 20 5 CDBDHM CNC(=O)c1cccnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828919 925878280 /nfs/dbraw/zinc/87/82/80/925878280.db2.gz ZDTLVMFKXOKUJN-UHFFFAOYSA-N -1 3 288.263 1.799 20 5 CDBDHM COC(=O)[C@H]1C[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228687646 942357802 /nfs/dbraw/zinc/35/78/02/942357802.db2.gz ZDTZSKRKZDOZPE-OCAPTIKFSA-N -1 3 282.252 1.334 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2C(=O)OCC2(C)C)c1[N+](=O)[O-] ZINC001228686992 942357995 /nfs/dbraw/zinc/35/79/95/942357995.db2.gz SRASTVSRJMYQOW-JTQLQIEISA-N -1 3 282.252 1.334 20 5 CDBDHM CN1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])ccc3[O-])[C@H]1CC(=O)C2 ZINC001229396672 942465209 /nfs/dbraw/zinc/46/52/09/942465209.db2.gz VWUMDUYMQIHKLI-UFGOTCBOSA-N -1 3 292.291 1.483 20 5 CDBDHM NC(=O)c1nccnc1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248599151 949082219 /nfs/dbraw/zinc/08/22/19/949082219.db2.gz YMRGZEQBHJMUNY-UHFFFAOYSA-N -1 3 293.670 1.881 20 5 CDBDHM O=c1cc(CNc2ccncc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001307209588 956379034 /nfs/dbraw/zinc/37/90/34/956379034.db2.gz GOICERKVDORKJT-UHFFFAOYSA-N -1 3 287.279 1.397 20 5 CDBDHM O=C([O-])[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001606458632 973900759 /nfs/dbraw/zinc/90/07/59/973900759.db2.gz IZJBZQOGELTAGY-OCAPTIKFSA-N -1 3 291.263 1.689 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CNC1CC(C(=O)[O-])C1 ZINC001597143141 986897227 /nfs/dbraw/zinc/89/72/27/986897227.db2.gz VLVGOMVSWLTTDD-UHFFFAOYSA-N -1 3 294.307 1.946 20 5 CDBDHM COCc1cnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC000588766226 342221072 /nfs/dbraw/zinc/22/10/72/342221072.db2.gz JFRYZNXAORMRNV-UHFFFAOYSA-N -1 3 283.269 1.173 20 5 CDBDHM CN(C[C@@H]1CCCN1C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166804103 362060216 /nfs/dbraw/zinc/06/02/16/362060216.db2.gz LGKWVUJXZZWMDU-VIFPVBQESA-N -1 3 294.311 1.218 20 5 CDBDHM C[C@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000166817726 362078403 /nfs/dbraw/zinc/07/84/03/362078403.db2.gz OMIIHPFQQNURKV-IUCAKERBSA-N -1 3 294.311 1.583 20 5 CDBDHM COc1cc(CNCCOCCF)c([N+](=O)[O-])cc1[O-] ZINC000596057000 343222496 /nfs/dbraw/zinc/22/24/96/343222496.db2.gz FDGZIAVCIOQAAH-UHFFFAOYSA-N -1 3 288.275 1.385 20 5 CDBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cn1cccn1 ZINC000596077202 343226830 /nfs/dbraw/zinc/22/68/30/343226830.db2.gz MWIJBIAYMHDEIV-SECBINFHSA-N -1 3 277.284 1.640 20 5 CDBDHM O=c1[n-]ccc(NCCOC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000596128096 343237677 /nfs/dbraw/zinc/23/76/77/343237677.db2.gz DFBOEOPFOAFWDN-SECBINFHSA-N -1 3 283.284 1.303 20 5 CDBDHM CC[C@H](C)[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123585 343249013 /nfs/dbraw/zinc/24/90/13/343249013.db2.gz PTWWWTSCCGSQQH-CBAPKCEASA-N -1 3 255.274 1.514 20 5 CDBDHM CCO[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1OC ZINC000596192862 343253587 /nfs/dbraw/zinc/25/35/87/343253587.db2.gz WJPGHTRGHHEEBE-IQJOONFLSA-N -1 3 283.284 1.300 20 5 CDBDHM CC(C)n1nnnc1Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596062706 343223919 /nfs/dbraw/zinc/22/39/19/343223919.db2.gz ZBVWMCROTWJXHX-UHFFFAOYSA-N -1 3 282.285 1.414 20 5 CDBDHM CCC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596257482 343276728 /nfs/dbraw/zinc/27/67/28/343276728.db2.gz LACGUEZPDHBHAB-QMMMGPOBSA-N -1 3 255.274 1.922 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H](CCCO)C2)c1[N+](=O)[O-] ZINC000596265797 343279580 /nfs/dbraw/zinc/27/95/80/343279580.db2.gz MKNNVCLUHOONEY-VIFPVBQESA-N -1 3 267.285 1.294 20 5 CDBDHM O=c1[n-]ccc(NCc2cc3n(n2)CCCO3)c1[N+](=O)[O-] ZINC000599106073 343955027 /nfs/dbraw/zinc/95/50/27/343955027.db2.gz 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ZINC000264655792 357760700 /nfs/dbraw/zinc/76/07/00/357760700.db2.gz GUQMRPCWCJWHEI-SECBINFHSA-N -1 3 298.299 1.458 20 5 CDBDHM CCc1coc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000559316979 358307548 /nfs/dbraw/zinc/30/75/48/358307548.db2.gz IPPUCXYKJVQTTO-UHFFFAOYSA-N -1 3 265.229 1.429 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccncc1 ZINC000000327362 366418553 /nfs/dbraw/zinc/41/85/53/366418553.db2.gz BCRUCKFBHPDZDX-UHFFFAOYSA-N -1 3 279.277 1.213 20 5 CDBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1)c1nnn[n-]1 ZINC000095243978 358804630 /nfs/dbraw/zinc/80/46/30/358804630.db2.gz KJXCIGGOUWJABX-QMMMGPOBSA-N -1 3 262.273 1.348 20 5 CDBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000095243978 358804635 /nfs/dbraw/zinc/80/46/35/358804635.db2.gz KJXCIGGOUWJABX-QMMMGPOBSA-N -1 3 262.273 1.348 20 5 CDBDHM C[C@@H](CN(C)c1sccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000129866913 369912235 /nfs/dbraw/zinc/91/22/35/369912235.db2.gz GONHYFUJXGEPLU-LURJTMIESA-N -1 3 268.302 1.409 20 5 CDBDHM C[C@@H](CN(C)c1sccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000129866913 369912237 /nfs/dbraw/zinc/91/22/37/369912237.db2.gz GONHYFUJXGEPLU-LURJTMIESA-N -1 3 268.302 1.409 20 5 CDBDHM COCCCn1ccc([N-]c2c([N+](=O)[O-])ncn2C)n1 ZINC000266270548 371982522 /nfs/dbraw/zinc/98/25/22/371982522.db2.gz RAVWBXFNSSKZDT-UHFFFAOYSA-N -1 3 280.288 1.305 20 5 CDBDHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493342668 375443806 /nfs/dbraw/zinc/44/38/06/375443806.db2.gz YULLMHMBISDNQL-WSROAFLRSA-N -1 3 294.307 1.673 20 5 CDBDHM CN(C)CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000356289274 375831431 /nfs/dbraw/zinc/83/14/31/375831431.db2.gz ALOGXEPUVOGVGJ-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM Cc1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000445140934 250208773 /nfs/dbraw/zinc/20/87/73/250208773.db2.gz FHVANDULBSRJCX-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ncccc1[O-] ZINC000574389228 391108437 /nfs/dbraw/zinc/10/84/37/391108437.db2.gz 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ZINC000359582454 158296143 /nfs/dbraw/zinc/29/61/43/158296143.db2.gz DXTZXIVWIMSREO-UHFFFAOYSA-N -1 3 267.270 1.644 20 5 CDBDHM C[C@@](O)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001589147048 1173126433 /nfs/dbraw/zinc/12/64/33/1173126433.db2.gz OZSZBICJFAJJSZ-LLVKDONJSA-N -1 3 288.687 1.173 20 5 CDBDHM CC(F)(F)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589910622 1173204517 /nfs/dbraw/zinc/20/45/17/1173204517.db2.gz SZERZZRIYUSWRT-UHFFFAOYSA-N -1 3 299.241 1.627 20 5 CDBDHM CC(F)(F)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589910622 1173204520 /nfs/dbraw/zinc/20/45/20/1173204520.db2.gz SZERZZRIYUSWRT-UHFFFAOYSA-N -1 3 299.241 1.627 20 5 CDBDHM O=C([N-]c1cnns1)c1ccc([N+](=O)[O-])cc1F ZINC000189560907 270279015 /nfs/dbraw/zinc/27/90/15/270279015.db2.gz PMBGPMWWHPQZFK-UHFFFAOYSA-N -1 3 268.229 1.838 20 5 CDBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC001590445487 1173411420 /nfs/dbraw/zinc/41/14/20/1173411420.db2.gz BOQJYVOQMITMMQ-QMMMGPOBSA-N -1 3 293.287 1.007 20 5 CDBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OC ZINC001590445487 1173411424 /nfs/dbraw/zinc/41/14/24/1173411424.db2.gz BOQJYVOQMITMMQ-QMMMGPOBSA-N -1 3 293.287 1.007 20 5 CDBDHM CCO[C@H]1C[C@@H]1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000517069690 280972437 /nfs/dbraw/zinc/97/24/37/280972437.db2.gz DBVVOLZZCUQRER-CABZTGNLSA-N -1 3 282.296 1.576 20 5 CDBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(F)F)ccc1[N+](=O)[O-] ZINC000549903623 289979042 /nfs/dbraw/zinc/97/90/42/289979042.db2.gz RKKLZXPVOZNHDR-UHFFFAOYSA-N -1 3 294.279 1.837 20 5 CDBDHM CO[C@@H](C)CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591323065 1173610023 /nfs/dbraw/zinc/61/00/23/1173610023.db2.gz MAJJQSWNKOTZIU-QMMMGPOBSA-N -1 3 292.299 1.246 20 5 CDBDHM CO[C@@H](C)CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591323065 1173610026 /nfs/dbraw/zinc/61/00/26/1173610026.db2.gz MAJJQSWNKOTZIU-QMMMGPOBSA-N -1 3 292.299 1.246 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC000584004236 325284690 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CC[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910358412 629025991 /nfs/dbraw/zinc/02/59/91/629025991.db2.gz UOJLLPQITLWTKN-JTQLQIEISA-N -1 3 293.323 1.823 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CC3)C2)c1 ZINC000211452519 630835586 /nfs/dbraw/zinc/83/55/86/630835586.db2.gz RAOHHIQONNOJCW-JTQLQIEISA-N -1 3 291.307 1.942 20 5 CDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001604466751 1163193284 /nfs/dbraw/zinc/19/32/84/1163193284.db2.gz BCAHJVORENAISO-RNCFNFMXSA-N -1 3 280.280 1.177 20 5 CDBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001604807816 1163334100 /nfs/dbraw/zinc/33/41/00/1163334100.db2.gz VLPDBSAHMNQHHJ-UHFFFAOYSA-N -1 3 274.284 1.369 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@H]2C(F)F)c(-c2nnn[n-]2)c1 ZINC001607082500 1164071937 /nfs/dbraw/zinc/07/19/37/1164071937.db2.gz YDPANRBURABHOO-VIFPVBQESA-N -1 3 296.237 1.619 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@H]2C(F)F)c(-c2nn[n-]n2)c1 ZINC001607082500 1164071945 /nfs/dbraw/zinc/07/19/45/1164071945.db2.gz YDPANRBURABHOO-VIFPVBQESA-N -1 3 296.237 1.619 20 5 CDBDHM Cc1cc(N2CC[C@@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404685 1164932617 /nfs/dbraw/zinc/93/26/17/1164932617.db2.gz INQIXXRWLGHDSX-MRVPVSSYSA-N -1 3 288.311 1.930 20 5 CDBDHM Cc1cc(N2CC[C@@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404685 1164932619 /nfs/dbraw/zinc/93/26/19/1164932619.db2.gz INQIXXRWLGHDSX-MRVPVSSYSA-N -1 3 288.311 1.930 20 5 CDBDHM O=C([N-]OC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000868660021 1164978849 /nfs/dbraw/zinc/97/88/49/1164978849.db2.gz MJDWRVOSQXRVIH-UHFFFAOYSA-N -1 3 254.217 1.948 20 5 CDBDHM O=[N+]([O-])c1cc(N2CCC[C@H](F)C2)ccc1-c1nnn[n-]1 ZINC001609601056 1164999142 /nfs/dbraw/zinc/99/91/42/1164999142.db2.gz OXGKUAWKNLEVIP-QMMMGPOBSA-N -1 3 292.274 1.713 20 5 CDBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001590312840 1173348064 /nfs/dbraw/zinc/34/80/64/1173348064.db2.gz KULYHSYUZVRFMG-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM CC[C@H](O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590476367 1173429373 /nfs/dbraw/zinc/42/93/73/1173429373.db2.gz GNUMHEDLMLKUBV-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@H](O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590476367 1173429377 /nfs/dbraw/zinc/42/93/77/1173429377.db2.gz GNUMHEDLMLKUBV-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1Cc2c[nH]nc2C1 ZINC001593473819 1174080798 /nfs/dbraw/zinc/08/07/98/1174080798.db2.gz BPGLYGPQWWTLTO-UHFFFAOYSA-N -1 3 298.266 1.018 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1Cc2c[nH]nc2C1 ZINC001593473819 1174080805 /nfs/dbraw/zinc/08/08/05/1174080805.db2.gz BPGLYGPQWWTLTO-UHFFFAOYSA-N -1 3 298.266 1.018 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCSC1 ZINC001593471006 1174080962 /nfs/dbraw/zinc/08/09/62/1174080962.db2.gz LNOZJLPLGOTJOX-SSDOTTSWSA-N -1 3 293.312 1.087 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCSC1 ZINC001593471006 1174080972 /nfs/dbraw/zinc/08/09/72/1174080972.db2.gz LNOZJLPLGOTJOX-SSDOTTSWSA-N -1 3 293.312 1.087 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CCSC1 ZINC001593471009 1174081076 /nfs/dbraw/zinc/08/10/76/1174081076.db2.gz LNOZJLPLGOTJOX-ZETCQYMHSA-N -1 3 293.312 1.087 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CCSC1 ZINC001593471009 1174081084 /nfs/dbraw/zinc/08/10/84/1174081084.db2.gz LNOZJLPLGOTJOX-ZETCQYMHSA-N -1 3 293.312 1.087 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001593479225 1174081329 /nfs/dbraw/zinc/08/13/29/1174081329.db2.gz UUZGCPXWQLXZQC-MRVPVSSYSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001593479225 1174081338 /nfs/dbraw/zinc/08/13/38/1174081338.db2.gz UUZGCPXWQLXZQC-MRVPVSSYSA-N -1 3 292.274 1.713 20 5 CDBDHM CC[C@@H](C)CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609184759 1164826696 /nfs/dbraw/zinc/82/66/96/1164826696.db2.gz NZYKWYGTYUPFTR-MRVPVSSYSA-N -1 3 291.315 1.652 20 5 CDBDHM CC[C@@H](C)CN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609184759 1164826701 /nfs/dbraw/zinc/82/67/01/1164826701.db2.gz NZYKWYGTYUPFTR-MRVPVSSYSA-N -1 3 291.315 1.652 20 5 CDBDHM COC(C)(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000711909114 822225167 /nfs/dbraw/zinc/22/51/67/822225167.db2.gz BSOXPCCOMGYTQT-UHFFFAOYSA-N -1 3 255.274 1.922 20 5 CDBDHM CO[C@H](C)CO[C@H](C)COc1nccc([O-])c1[N+](=O)[O-] ZINC001225664923 903635051 /nfs/dbraw/zinc/63/50/51/903635051.db2.gz ULQHEEYQTRZYHB-RKDXNWHRSA-N -1 3 286.284 1.514 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2noc3nccnc23)c1 ZINC001199814341 925876243 /nfs/dbraw/zinc/87/62/43/925876243.db2.gz HDYOGMZHHLVDCE-UHFFFAOYSA-N -1 3 273.208 1.975 20 5 CDBDHM CN1CCC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228602446 942340963 /nfs/dbraw/zinc/34/09/63/942340963.db2.gz BKRAEADVYLOCBH-VIFPVBQESA-N -1 3 294.311 1.441 20 5 CDBDHM Cc1cc2nc(O[C@@H]3CCOC3=O)[n-]c2cc1[N+](=O)[O-] ZINC001228674239 942354305 /nfs/dbraw/zinc/35/43/05/942354305.db2.gz JOLVUSLYXYPTGQ-SNVBAGLBSA-N -1 3 277.236 1.474 20 5 CDBDHM Cc1cc2[n-]c(O[C@@H]3CCOC3=O)nc2cc1[N+](=O)[O-] ZINC001228674239 942354308 /nfs/dbraw/zinc/35/43/08/942354308.db2.gz JOLVUSLYXYPTGQ-SNVBAGLBSA-N -1 3 277.236 1.474 20 5 CDBDHM CN1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398370 942464481 /nfs/dbraw/zinc/46/44/81/942464481.db2.gz SZTBAVPZMGAEDC-SNVBAGLBSA-N -1 3 252.270 1.773 20 5 CDBDHM O=C1OCC[C@@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233498230 943602022 /nfs/dbraw/zinc/60/20/22/943602022.db2.gz KQRULCOSBUDKLQ-VIFPVBQESA-N -1 3 297.654 1.819 20 5 CDBDHM O=C([O-])COCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001595113391 951924668 /nfs/dbraw/zinc/92/46/68/951924668.db2.gz SDRKLRVHUUPFSR-LLVKDONJSA-N -1 3 280.280 1.273 20 5 CDBDHM CC(COC(=O)c1cc(C(=O)[O-])ccc1Cl)[N+](=O)[O-] ZINC001592771398 979387716 /nfs/dbraw/zinc/38/77/16/979387716.db2.gz FLDFGCOHWXCEDE-LURJTMIESA-N -1 3 287.655 1.860 20 5 CDBDHM CSc1nnc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)[n-]1 ZINC000354759901 365671733 /nfs/dbraw/zinc/67/17/33/365671733.db2.gz HLVNXOGIINRVMI-UHFFFAOYSA-N -1 3 268.258 1.015 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000354759901 365671740 /nfs/dbraw/zinc/67/17/40/365671740.db2.gz HLVNXOGIINRVMI-UHFFFAOYSA-N -1 3 268.258 1.015 20 5 CDBDHM CSc1nc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n[n-]1 ZINC000354759901 365671744 /nfs/dbraw/zinc/67/17/44/365671744.db2.gz HLVNXOGIINRVMI-UHFFFAOYSA-N -1 3 268.258 1.015 20 5 CDBDHM O=[N+]([O-])c1cc([O-])ccc1-n1cc(CC2(O)CCC2)nn1 ZINC000594653436 342934177 /nfs/dbraw/zinc/93/41/77/342934177.db2.gz UJJCSELYUZTZBB-UHFFFAOYSA-N -1 3 290.279 1.339 20 5 CDBDHM C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCN1C ZINC000436918724 362123028 /nfs/dbraw/zinc/12/30/28/362123028.db2.gz JSTLVZCHRLITNW-BXKDBHETSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@@H](O)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147463 343244077 /nfs/dbraw/zinc/24/40/77/343244077.db2.gz XODNXFSJKKHFLM-MRVPVSSYSA-N -1 3 269.301 1.904 20 5 CDBDHM CC[C@H](C)[C@@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123991 343248931 /nfs/dbraw/zinc/24/89/31/343248931.db2.gz QKXWQVDZADALRW-UFBFGSQYSA-N -1 3 269.301 1.904 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H](CCCO)C2)c1[N+](=O)[O-] ZINC000596265796 343279629 /nfs/dbraw/zinc/27/96/29/343279629.db2.gz MKNNVCLUHOONEY-SECBINFHSA-N -1 3 267.285 1.294 20 5 CDBDHM COC(=O)[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596270814 343281634 /nfs/dbraw/zinc/28/16/34/343281634.db2.gz IJOOFOLVNOKYAT-KNVOCYPGSA-N -1 3 267.241 1.059 20 5 CDBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1cnns1 ZINC000047412627 357156638 /nfs/dbraw/zinc/15/66/38/357156638.db2.gz HBHWNQNBNMZXGW-UHFFFAOYSA-N -1 3 250.239 1.699 20 5 CDBDHM O=C([N-]c1nc[nH]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083795606 357336230 /nfs/dbraw/zinc/33/62/30/357336230.db2.gz FGLCYBLGPWKUDB-UHFFFAOYSA-N -1 3 267.632 1.619 20 5 CDBDHM Cc1c(CC(=O)[N-]OC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000187978329 357831501 /nfs/dbraw/zinc/83/15/01/357831501.db2.gz BLUYLOSMMMJPDN-NSHDSACASA-N -1 3 294.307 1.530 20 5 CDBDHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062936379 358729835 /nfs/dbraw/zinc/72/98/35/358729835.db2.gz BSPIIKGZDSZBQY-CYBMUJFWSA-N -1 3 264.281 1.891 20 5 CDBDHM CCc1[nH]nc(C(=O)Nc2cccc([O-])c2F)c1[N+](=O)[O-] ZINC000572943796 360453458 /nfs/dbraw/zinc/45/34/58/360453458.db2.gz CIIYLUOWOQYEME-UHFFFAOYSA-N -1 3 294.242 1.977 20 5 CDBDHM O=C1[C@@H]([N-]c2ncc([N+](=O)[O-])s2)CN1c1ccccc1 ZINC000367160135 361179702 /nfs/dbraw/zinc/17/97/02/361179702.db2.gz NZOHNIGPIWRSAX-VIFPVBQESA-N -1 3 290.304 1.879 20 5 CDBDHM COc1cc([O-])cc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000540963648 364575627 /nfs/dbraw/zinc/57/56/27/364575627.db2.gz FIGQDDZISUOEKV-UHFFFAOYSA-N -1 3 291.263 1.900 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccco1 ZINC000046033582 375095854 /nfs/dbraw/zinc/09/58/54/375095854.db2.gz MCMFXAFPXYLORR-UHFFFAOYSA-N -1 3 296.304 1.975 20 5 CDBDHM Cc1cc2n[nH]cc2cc1[N-]c1ncc([N+](=O)[O-])c(N)n1 ZINC000302733747 375244601 /nfs/dbraw/zinc/24/46/01/375244601.db2.gz VLQPJBUEIWQFRL-UHFFFAOYSA-N -1 3 285.267 1.895 20 5 CDBDHM O=C(Nc1ccc([O-])cc1F)c1cc([N+](=O)[O-])n[nH]1 ZINC000354646562 375737350 /nfs/dbraw/zinc/73/73/50/375737350.db2.gz MCKSDNXWGWECAE-UHFFFAOYSA-N -1 3 266.188 1.415 20 5 CDBDHM C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCN1C ZINC000345325917 377934952 /nfs/dbraw/zinc/93/49/52/377934952.db2.gz SCAOVWJEZIKNHP-GXSJLCMTSA-N -1 3 293.323 1.513 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](CCCO)C1 ZINC000449790551 251025797 /nfs/dbraw/zinc/02/57/97/251025797.db2.gz LJPUIAXHKQYQDP-NSHDSACASA-N -1 3 280.324 1.895 20 5 CDBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OC1CCOCC1 ZINC000492711424 253278038 /nfs/dbraw/zinc/27/80/38/253278038.db2.gz SZJVRDXXIWVAMB-PLNGDYQASA-N -1 3 292.291 1.835 20 5 CDBDHM C[C@H]1NCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000285853478 390185545 /nfs/dbraw/zinc/18/55/45/390185545.db2.gz ASNNROMRAIRWAX-BDAKNGLRSA-N -1 3 279.296 1.123 20 5 CDBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(CO)n2)c(F)c1 ZINC000527065909 392974012 /nfs/dbraw/zinc/97/40/12/392974012.db2.gz ICZHJFMIIZEZMN-UHFFFAOYSA-N -1 3 270.245 1.496 20 5 CDBDHM COc1cc(CNc2ccon2)c([N+](=O)[O-])cc1[O-] ZINC000184247803 148340803 /nfs/dbraw/zinc/34/08/03/148340803.db2.gz ZHQXOCPHAHGKSD-UHFFFAOYSA-N -1 3 265.225 1.909 20 5 CDBDHM C=C=CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588466824 1173065737 /nfs/dbraw/zinc/06/57/37/1173065737.db2.gz QQIHKMHLXYGYNA-UHFFFAOYSA-N -1 3 258.241 1.528 20 5 CDBDHM C=C=CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588466824 1173065743 /nfs/dbraw/zinc/06/57/43/1173065743.db2.gz QQIHKMHLXYGYNA-UHFFFAOYSA-N -1 3 258.241 1.528 20 5 CDBDHM CC(C)OCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589748644 1173173693 /nfs/dbraw/zinc/17/36/93/1173173693.db2.gz HQBDHPZKHBCRPG-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM CC(C)OCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589748644 1173173696 /nfs/dbraw/zinc/17/36/96/1173173696.db2.gz HQBDHPZKHBCRPG-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM C[C@H](F)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589912004 1173202902 /nfs/dbraw/zinc/20/29/02/1173202902.db2.gz UEDJLSPJWGTNTP-ZETCQYMHSA-N -1 3 280.263 1.935 20 5 CDBDHM O=C([N-]c1nc2ccccn2n1)c1csc([N+](=O)[O-])c1 ZINC000179204196 315973456 /nfs/dbraw/zinc/97/34/56/315973456.db2.gz QQJJXUGRKZBKCE-UHFFFAOYSA-N -1 3 289.276 1.951 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccccc2[O-])n1 ZINC000350885516 316217570 /nfs/dbraw/zinc/21/75/70/316217570.db2.gz BVNNTDXKSCQKFO-UHFFFAOYSA-N -1 3 287.235 1.751 20 5 CDBDHM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N(C)C1CC1 ZINC000069534535 524465278 /nfs/dbraw/zinc/46/52/78/524465278.db2.gz KLZPEEJJYTUENX-SECBINFHSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736037202 575553080 /nfs/dbraw/zinc/55/30/80/575553080.db2.gz KGTXFWNGWFHGRU-SFYZADRCSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736037202 575553082 /nfs/dbraw/zinc/55/30/82/575553082.db2.gz KGTXFWNGWFHGRU-SFYZADRCSA-N -1 3 292.299 1.204 20 5 CDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCSC2)cs1 ZINC000768843181 576312422 /nfs/dbraw/zinc/31/24/22/576312422.db2.gz HHNZIXMOLWDXMG-ZCFIWIBFSA-N -1 3 294.379 1.440 20 5 CDBDHM COCCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000747908785 576888805 /nfs/dbraw/zinc/88/88/05/576888805.db2.gz DCELDEHOZQETNZ-UHFFFAOYSA-N -1 3 268.269 1.140 20 5 CDBDHM CS[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826225777 607733380 /nfs/dbraw/zinc/73/33/80/607733380.db2.gz KVKXYETXADNFKL-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM CS[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826225777 607733381 /nfs/dbraw/zinc/73/33/81/607733381.db2.gz KVKXYETXADNFKL-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM O=[N+]([O-])c1ccc(NC2(CO)CCC2)c(-c2nnn[n-]2)c1 ZINC000823640108 607132106 /nfs/dbraw/zinc/13/21/06/607132106.db2.gz SRAQOAXORWTJCK-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM O=[N+]([O-])c1ccc(NC2(CO)CCC2)c(-c2nn[n-]n2)c1 ZINC000823640108 607132107 /nfs/dbraw/zinc/13/21/07/607132107.db2.gz SRAQOAXORWTJCK-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM CC1=CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824857833 607903734 /nfs/dbraw/zinc/90/37/34/607903734.db2.gz GGJZBRWECZBBTK-UHFFFAOYSA-N -1 3 287.283 1.326 20 5 CDBDHM CC1=CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824857833 607903735 /nfs/dbraw/zinc/90/37/35/607903735.db2.gz GGJZBRWECZBBTK-UHFFFAOYSA-N -1 3 287.283 1.326 20 5 CDBDHM O=C([O-])CC1(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001608688881 1164604971 /nfs/dbraw/zinc/60/49/71/1164604971.db2.gz XLEUNLVRNZYESP-UHFFFAOYSA-N -1 3 268.244 1.831 20 5 CDBDHM CC(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609096717 1164770183 /nfs/dbraw/zinc/77/01/83/1164770183.db2.gz SXIPIBOJNFZEPJ-UHFFFAOYSA-N -1 3 262.273 1.843 20 5 CDBDHM CC(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609096717 1164770187 /nfs/dbraw/zinc/77/01/87/1164770187.db2.gz SXIPIBOJNFZEPJ-UHFFFAOYSA-N -1 3 262.273 1.843 20 5 CDBDHM CC1(C)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001609147078 1164792365 /nfs/dbraw/zinc/79/23/65/1164792365.db2.gz JIPMIDGOFCOTMZ-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CC1(C)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001609147078 1164792374 /nfs/dbraw/zinc/79/23/74/1164792374.db2.gz JIPMIDGOFCOTMZ-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CO[C@@H](C)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609308967 1164890167 /nfs/dbraw/zinc/89/01/67/1164890167.db2.gz TZSVSZGWVLWOAR-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM C[C@H]1CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590276475 1173335100 /nfs/dbraw/zinc/33/51/00/1173335100.db2.gz LNUOWXPVCKEMFE-ZETCQYMHSA-N -1 3 260.257 1.374 20 5 CDBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001590312841 1173348783 /nfs/dbraw/zinc/34/87/83/1173348783.db2.gz KULYHSYUZVRFMG-RKDXNWHRSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@@H]1C ZINC001603939557 1175692009 /nfs/dbraw/zinc/69/20/09/1175692009.db2.gz MRVHDABVEDQOMV-RNFRBKRXSA-N -1 3 289.299 1.202 20 5 CDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@@H]1C ZINC001603939557 1175692010 /nfs/dbraw/zinc/69/20/10/1175692010.db2.gz MRVHDABVEDQOMV-RNFRBKRXSA-N -1 3 289.299 1.202 20 5 CDBDHM CN(CC1CN(C)C1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001606202220 1163805946 /nfs/dbraw/zinc/80/59/46/1163805946.db2.gz GCGRUHJPIYSTHA-UHFFFAOYSA-N -1 3 293.323 1.220 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=CCC2)c(F)c1 ZINC000849429778 824040392 /nfs/dbraw/zinc/04/03/92/824040392.db2.gz DJVVLJWDYRVTTM-MRVPVSSYSA-N -1 3 286.284 1.731 20 5 CDBDHM CCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821071506 824846853 /nfs/dbraw/zinc/84/68/53/824846853.db2.gz GVFOTWNTTNXSLK-UHFFFAOYSA-N -1 3 262.273 1.987 20 5 CDBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cnn[n-]1 ZINC000805604790 826842759 /nfs/dbraw/zinc/84/27/59/826842759.db2.gz FWCMVYQLTHNXDT-UHFFFAOYSA-N -1 3 289.207 1.211 20 5 CDBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1c[n-]nn1 ZINC000805604790 826842760 /nfs/dbraw/zinc/84/27/60/826842760.db2.gz FWCMVYQLTHNXDT-UHFFFAOYSA-N -1 3 289.207 1.211 20 5 CDBDHM COCCCO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000805042411 827567321 /nfs/dbraw/zinc/56/73/21/827567321.db2.gz ZJLGONOWLZUPBM-UHFFFAOYSA-N -1 3 288.687 1.946 20 5 CDBDHM NC(=O)c1ccncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814318 925876269 /nfs/dbraw/zinc/87/62/69/925876269.db2.gz GRKSRASANKOOTA-UHFFFAOYSA-N -1 3 274.236 1.538 20 5 CDBDHM CC(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001102070630 937040201 /nfs/dbraw/zinc/04/02/01/937040201.db2.gz MKSIMAIHPQJESE-UHFFFAOYSA-N -1 3 296.327 1.436 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC001156279511 938346394 /nfs/dbraw/zinc/34/63/94/938346394.db2.gz UGIBOYRQUZIPJZ-SSDOTTSWSA-N -1 3 281.247 1.053 20 5 CDBDHM O=C(NCc1cc(=O)c([O-])co1)c1ccc([N+](=O)[O-])s1 ZINC001158245325 938599432 /nfs/dbraw/zinc/59/94/32/938599432.db2.gz GDUMPCXZHRBAPA-UHFFFAOYSA-N -1 3 296.260 1.245 20 5 CDBDHM Cc1ncc(Nc2cc([N+](=O)[O-])cc(Cl)n2)c(=O)[n-]1 ZINC001162298502 938973596 /nfs/dbraw/zinc/97/35/96/938973596.db2.gz QYASIMGPJCNHAR-ZETCQYMHSA-N -1 3 281.659 1.453 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1COc2cnccc21 ZINC001225664681 941896182 /nfs/dbraw/zinc/89/61/82/941896182.db2.gz RGPIZZDPCHQHQS-JTQLQIEISA-N -1 3 275.220 1.603 20 5 CDBDHM CC1=C(Oc2c([O-])cccc2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001226332509 941987958 /nfs/dbraw/zinc/98/79/58/941987958.db2.gz AYMITPAHRJXFLQ-SSDOTTSWSA-N -1 3 265.221 1.899 20 5 CDBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CN3CCC2CC3)[n-]1 ZINC001231260601 942836849 /nfs/dbraw/zinc/83/68/49/942836849.db2.gz UKWRMDKFYLZHTO-LLVKDONJSA-N -1 3 279.296 1.477 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CN3CCC2CC3)n1 ZINC001231260601 942836854 /nfs/dbraw/zinc/83/68/54/942836854.db2.gz UKWRMDKFYLZHTO-LLVKDONJSA-N -1 3 279.296 1.477 20 5 CDBDHM C[C@H](CON)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233506544 943605136 /nfs/dbraw/zinc/60/51/36/943605136.db2.gz PFMWJRBGWBJBQH-RXMQYKEDSA-N -1 3 286.675 1.782 20 5 CDBDHM O=c1[n-]ccc(Nc2cccc(CO)c2)c1[N+](=O)[O-] ZINC001306921376 956351181 /nfs/dbraw/zinc/35/11/81/956351181.db2.gz PRJVBNFAJYQRKD-UHFFFAOYSA-N -1 3 261.237 1.931 20 5 CDBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC000601195915 342488983 /nfs/dbraw/zinc/48/89/83/342488983.db2.gz VVXZWYCEYAUULF-JTQLQIEISA-N -1 3 276.296 1.827 20 5 CDBDHM O=[N+]([O-])c1cc([O-])ccc1-n1cc(CCCCCO)nn1 ZINC000594651279 342933057 /nfs/dbraw/zinc/93/30/57/342933057.db2.gz BGQUBJGPRWERRP-UHFFFAOYSA-N -1 3 292.295 1.586 20 5 CDBDHM O=C([O-])C12CC(C1)CN2Cc1ccccc1[N+](=O)[O-] ZINC000594734244 342949938 /nfs/dbraw/zinc/94/99/38/342949938.db2.gz UJMHESHFEQUGIP-UHFFFAOYSA-N -1 3 262.265 1.644 20 5 CDBDHM CCOC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596094127 343234562 /nfs/dbraw/zinc/23/45/62/343234562.db2.gz MQDAVHDORKJILC-UHFFFAOYSA-N -1 3 255.230 1.061 20 5 CDBDHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC000596179603 343249575 /nfs/dbraw/zinc/24/95/75/343249575.db2.gz PWLNHYUXUKVIRX-QMMMGPOBSA-N -1 3 281.190 1.421 20 5 CDBDHM O=c1[n-]ccc(N2CCC(O)(C(F)F)CC2)c1[N+](=O)[O-] ZINC000596200887 343263692 /nfs/dbraw/zinc/26/36/92/343263692.db2.gz PNOYVBZMVZNCPY-UHFFFAOYSA-N -1 3 289.238 1.292 20 5 CDBDHM Cc1[nH]ncc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436949565 362148092 /nfs/dbraw/zinc/14/80/92/362148092.db2.gz LATPZXYFKJMEPI-UHFFFAOYSA-N -1 3 276.252 1.262 20 5 CDBDHM Cc1c(NC(=O)[C@H](N)CCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000085819573 179182561 /nfs/dbraw/zinc/18/25/61/179182561.db2.gz SWCGPTSRMNCQIT-MRVPVSSYSA-N -1 3 281.268 1.034 20 5 CDBDHM Cc1ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000085818680 179181224 /nfs/dbraw/zinc/18/12/24/179181224.db2.gz CLGSYURHDGVHMN-SECBINFHSA-N -1 3 281.268 1.034 20 5 CDBDHM C[C@@H]1CC([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])=NO1 ZINC000272177064 191558747 /nfs/dbraw/zinc/55/87/47/191558747.db2.gz YCYOXVXVLGZRBA-ZCFIWIBFSA-N -1 3 267.216 1.586 20 5 CDBDHM CC[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033586 357132187 /nfs/dbraw/zinc/13/21/87/357132187.db2.gz MQZIKXXDICYCOU-SECBINFHSA-N -1 3 272.326 1.980 20 5 CDBDHM COc1cc(C(=O)[N-]C2=NO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294787933 199183415 /nfs/dbraw/zinc/18/34/15/199183415.db2.gz BAENINCRBIHCJG-ZCFIWIBFSA-N -1 3 297.242 1.595 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)C(=O)[O-] ZINC000569624664 359254467 /nfs/dbraw/zinc/25/44/67/359254467.db2.gz ZOKMMGANRWAWOD-MRVPVSSYSA-N -1 3 268.269 1.508 20 5 CDBDHM COC[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339004675 359268684 /nfs/dbraw/zinc/26/86/84/359268684.db2.gz WUMMYQMDJJHXJS-JTQLQIEISA-N -1 3 266.297 1.769 20 5 CDBDHM CCc1csc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000355076534 360596738 /nfs/dbraw/zinc/59/67/38/360596738.db2.gz CQGKXWZFZUKCAA-UHFFFAOYSA-N -1 3 281.297 1.898 20 5 CDBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cnccn1 ZINC000345185976 284317134 /nfs/dbraw/zinc/31/71/34/284317134.db2.gz MZORHKTVNIKTDB-UHFFFAOYSA-N -1 3 262.200 1.776 20 5 CDBDHM COc1ccc(OCCO[N-]C(C)=O)c([N+](=O)[O-])c1 ZINC000272879709 372302207 /nfs/dbraw/zinc/30/22/07/372302207.db2.gz GOPBVLKGYHAVCM-UHFFFAOYSA-N -1 3 270.241 1.050 20 5 CDBDHM Cc1cc([N-]C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)on1 ZINC000011431132 374430938 /nfs/dbraw/zinc/43/09/38/374430938.db2.gz XYBAAYQVWSZFDQ-UHFFFAOYSA-N -1 3 279.256 1.343 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(Sc2n[n-]c(CO)n2)c1 ZINC000530372934 374480074 /nfs/dbraw/zinc/48/00/74/374480074.db2.gz QOVNGOJHQJVTGS-UHFFFAOYSA-N -1 3 266.282 1.665 20 5 CDBDHM CSCCO[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000280083996 374982510 /nfs/dbraw/zinc/98/25/10/374982510.db2.gz SPNQSBPUNRREHY-UHFFFAOYSA-N -1 3 262.312 1.681 20 5 CDBDHM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000183290113 391187772 /nfs/dbraw/zinc/18/77/72/391187772.db2.gz OJLMCLCDPZKLNC-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@@H]1NCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000285853496 397736707 /nfs/dbraw/zinc/73/67/07/397736707.db2.gz ASNNROMRAIRWAX-IUCAKERBSA-N -1 3 279.296 1.123 20 5 CDBDHM Cc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])[n-]c(=O)n1 ZINC000343260822 152089586 /nfs/dbraw/zinc/08/95/86/152089586.db2.gz LKYXKGCRWZGMEX-UHFFFAOYSA-N -1 3 288.263 1.329 20 5 CDBDHM O=C(Nc1cncc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000343718225 152277957 /nfs/dbraw/zinc/27/79/57/152277957.db2.gz CXFNYDKQONAAFQ-UHFFFAOYSA-N -1 3 278.199 1.482 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1NC([O-])=NOCC(C)(C)O ZINC000284624070 196098672 /nfs/dbraw/zinc/09/86/72/196098672.db2.gz DHLVETIDDSXAEC-UHFFFAOYSA-N -1 3 299.283 1.427 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)[N-]OCC(C)(C)O ZINC000284624070 196098674 /nfs/dbraw/zinc/09/86/74/196098674.db2.gz DHLVETIDDSXAEC-UHFFFAOYSA-N -1 3 299.283 1.427 20 5 CDBDHM CCCc1[nH]nc(C(=O)[N-]c2nncn2CC)c1[N+](=O)[O-] ZINC000285771701 196394514 /nfs/dbraw/zinc/39/45/14/196394514.db2.gz LEMJHMARVZFEDT-UHFFFAOYSA-N -1 3 293.287 1.134 20 5 CDBDHM C[C@@H](CN(C)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000044415538 175172829 /nfs/dbraw/zinc/17/28/29/175172829.db2.gz CLZXNSLCPHGXJF-VIFPVBQESA-N -1 3 252.270 1.747 20 5 CDBDHM COc1ccc([O-])c(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000129879535 279619495 /nfs/dbraw/zinc/61/94/95/279619495.db2.gz IKTJDLLYXJYTNK-UHFFFAOYSA-N -1 3 292.251 1.295 20 5 CDBDHM CC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590440195 1173411966 /nfs/dbraw/zinc/41/19/66/1173411966.db2.gz XGYRCQUXYVEKIA-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM O=C([N-]c1ccc(F)cn1)c1ccc([N+](=O)[O-])o1 ZINC000170677206 292871400 /nfs/dbraw/zinc/87/14/00/292871400.db2.gz DSKWNVWRFXVPBK-UHFFFAOYSA-N -1 3 251.173 1.974 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ncccc1[N+](=O)[O-])C2 ZINC000561775008 293102836 /nfs/dbraw/zinc/10/28/36/293102836.db2.gz JZCHMCCRWBWBRF-UHFFFAOYSA-N -1 3 273.252 1.048 20 5 CDBDHM Cn1cnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000562186586 293116970 /nfs/dbraw/zinc/11/69/70/293116970.db2.gz ODPZAEZMUOZWDX-UHFFFAOYSA-N -1 3 281.659 1.629 20 5 CDBDHM CC[C@H](COC)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736352385 575635689 /nfs/dbraw/zinc/63/56/89/575635689.db2.gz LEJISHWKXFKSAD-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM CC[C@H](COC)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736352385 575635691 /nfs/dbraw/zinc/63/56/91/575635691.db2.gz LEJISHWKXFKSAD-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H]2CCC[C@H]21 ZINC000738357125 576062499 /nfs/dbraw/zinc/06/24/99/576062499.db2.gz CARKKBRFMPXVIC-NXEZZACHSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H]2CCC[C@H]21 ZINC000738357125 576062501 /nfs/dbraw/zinc/06/25/01/576062501.db2.gz CARKKBRFMPXVIC-NXEZZACHSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CCO)C1CC1 ZINC000763433322 576736961 /nfs/dbraw/zinc/73/69/61/576736961.db2.gz QMPNVDDARIILND-LBPRGKRZSA-N -1 3 266.297 1.551 20 5 CDBDHM O=[N+]([O-])c1cccc(NC([O-])=NOCC(F)F)c1 ZINC000758825071 577134362 /nfs/dbraw/zinc/13/43/62/577134362.db2.gz CKTFQDABKVSXCC-UHFFFAOYSA-N -1 3 261.184 1.913 20 5 CDBDHM O=C([N-]OCC(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000758825071 577134364 /nfs/dbraw/zinc/13/43/64/577134364.db2.gz CKTFQDABKVSXCC-UHFFFAOYSA-N -1 3 261.184 1.913 20 5 CDBDHM O=C([O-])[C@@H]1CCN(CC[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC001601825926 1175024307 /nfs/dbraw/zinc/02/43/07/1175024307.db2.gz XCDKSHHCFCXLQD-GMTAPVOTSA-N -1 3 256.302 1.228 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC(F)F ZINC000823630046 606420440 /nfs/dbraw/zinc/42/04/40/606420440.db2.gz QJGMRDVNHGAEJE-UHFFFAOYSA-N -1 3 270.199 1.452 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC(F)F ZINC000823630046 606420441 /nfs/dbraw/zinc/42/04/41/606420441.db2.gz QJGMRDVNHGAEJE-UHFFFAOYSA-N -1 3 270.199 1.452 20 5 CDBDHM CCC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821039783 606419867 /nfs/dbraw/zinc/41/98/67/606419867.db2.gz GSINFKKCFGNLKX-XCBNKYQSSA-N -1 3 289.299 1.770 20 5 CDBDHM CCC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821039783 606419869 /nfs/dbraw/zinc/41/98/69/606419869.db2.gz GSINFKKCFGNLKX-XCBNKYQSSA-N -1 3 289.299 1.770 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OCC1(O)CCC1 ZINC000826497845 607873541 /nfs/dbraw/zinc/87/35/41/607873541.db2.gz WJLQEESFPOLYLA-UHFFFAOYSA-N -1 3 291.267 1.069 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OCC1(O)CCC1 ZINC000826497845 607873542 /nfs/dbraw/zinc/87/35/42/607873542.db2.gz WJLQEESFPOLYLA-UHFFFAOYSA-N -1 3 291.267 1.069 20 5 CDBDHM CC1=CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824857756 607903530 /nfs/dbraw/zinc/90/35/30/607903530.db2.gz FISFOTPYCISPJD-UHFFFAOYSA-N -1 3 286.295 1.931 20 5 CDBDHM CC1=CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824857756 607903531 /nfs/dbraw/zinc/90/35/31/607903531.db2.gz FISFOTPYCISPJD-UHFFFAOYSA-N -1 3 286.295 1.931 20 5 CDBDHM COc1cc(C(=O)[N-]c2ccon2)c([N+](=O)[O-])cc1OC ZINC000920968066 632864896 /nfs/dbraw/zinc/86/48/96/632864896.db2.gz OEMCLJAVCCMWCS-UHFFFAOYSA-N -1 3 293.235 1.852 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C=CCC1 ZINC001607081524 1164072622 /nfs/dbraw/zinc/07/26/22/1164072622.db2.gz FWRYDGKVDJVBMI-SECBINFHSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C=CCC1 ZINC001607081524 1164072627 /nfs/dbraw/zinc/07/26/27/1164072627.db2.gz FWRYDGKVDJVBMI-SECBINFHSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2nnccc2-c2nnn[n-]2)c1 ZINC001582804410 1172691711 /nfs/dbraw/zinc/69/17/11/1172691711.db2.gz SEYLGAHCTMHFQO-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2nnccc2-c2nn[n-]n2)c1 ZINC001582804410 1172691716 /nfs/dbraw/zinc/69/17/16/1172691716.db2.gz SEYLGAHCTMHFQO-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@H]2C[C@@H]2C(F)F)ccc1-c1nnn[n-]1 ZINC001593473557 1174081825 /nfs/dbraw/zinc/08/18/25/1174081825.db2.gz HWIDAEGYICYYHD-YUMQZZPRSA-N -1 3 296.237 1.840 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603872536 1175664023 /nfs/dbraw/zinc/66/40/23/1175664023.db2.gz SJYOFDSIBMWWAH-NKWVEPMBSA-N -1 3 275.272 1.238 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603872536 1175664024 /nfs/dbraw/zinc/66/40/24/1175664024.db2.gz SJYOFDSIBMWWAH-NKWVEPMBSA-N -1 3 275.272 1.238 20 5 CDBDHM O=C(N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001059542323 828886665 /nfs/dbraw/zinc/88/66/65/828886665.db2.gz KTHMEZRTWLGJPY-DTORHVGOSA-N -1 3 292.295 1.165 20 5 CDBDHM CCn1nc(C)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000853700172 829121267 /nfs/dbraw/zinc/12/12/67/829121267.db2.gz ZEXDVLJEZFZQSX-UHFFFAOYSA-N -1 3 278.272 1.227 20 5 CDBDHM CCOc1cc(COC(=O)c2cnn[n-]2)ccc1[N+](=O)[O-] ZINC000805605078 832448983 /nfs/dbraw/zinc/44/89/83/832448983.db2.gz IMMRWIUBNILUDK-UHFFFAOYSA-N -1 3 292.251 1.469 20 5 CDBDHM CCOc1cc(COC(=O)c2c[n-]nn2)ccc1[N+](=O)[O-] ZINC000805605078 832448992 /nfs/dbraw/zinc/44/89/92/832448992.db2.gz IMMRWIUBNILUDK-UHFFFAOYSA-N -1 3 292.251 1.469 20 5 CDBDHM CC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001068431869 832954103 /nfs/dbraw/zinc/95/41/03/832954103.db2.gz LBOCZOZMTVAQKT-KYZUINATSA-N -1 3 280.284 1.022 20 5 CDBDHM O=[N+]([O-])c1ccc([N-]c2nccn3cnnc23)cn1 ZINC001203566776 918464871 /nfs/dbraw/zinc/46/48/71/918464871.db2.gz OYFMNRBSKPMYRA-UHFFFAOYSA-N -1 3 257.213 1.171 20 5 CDBDHM Cc1cccc(O)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001152168290 937340915 /nfs/dbraw/zinc/34/09/15/937340915.db2.gz LKLMLWJFQLWAGW-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM COC(=O)c1n[nH]cc1[N-]c1ncc([N+](=O)[O-])cc1Cl ZINC001158632647 938644065 /nfs/dbraw/zinc/64/40/65/938644065.db2.gz WXRKGFFSWZOXLJ-UHFFFAOYSA-N -1 3 297.658 1.897 20 5 CDBDHM Cc1ncc(Nc2cnc3ccc([N+](=O)[O-])cc3n2)c(=O)[n-]1 ZINC001162297949 938973996 /nfs/dbraw/zinc/97/39/96/938973996.db2.gz KSWNCTKTSAYWGL-LLVKDONJSA-N -1 3 298.262 1.348 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@H]2C[C@H](O)C2)c2[n-]cnc21 ZINC001218426020 941216227 /nfs/dbraw/zinc/21/62/27/941216227.db2.gz WTOMSPXHAPYGDY-LJGSYFOKSA-N -1 3 264.241 1.016 20 5 CDBDHM O=C1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225661760 941895633 /nfs/dbraw/zinc/89/56/33/941895633.db2.gz OWWSRTUDUKREQX-UHFFFAOYSA-N -1 3 252.226 1.586 20 5 CDBDHM CCOC(=O)CC1CC(Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666399 941897184 /nfs/dbraw/zinc/89/71/84/941897184.db2.gz HZVGAEJGDCHYFL-UHFFFAOYSA-N -1 3 296.279 1.806 20 5 CDBDHM COC(C[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-])OC ZINC001225666740 941897195 /nfs/dbraw/zinc/89/71/95/941897195.db2.gz LRXPWFQIYFDMMW-SSDOTTSWSA-N -1 3 272.257 1.472 20 5 CDBDHM CC1(C)OC[C@H](COc2ncc([N+](=O)[O-])c3nc[n-]c32)O1 ZINC001227692968 942205744 /nfs/dbraw/zinc/20/57/44/942205744.db2.gz HOEUFNDYHIHIQX-ZETCQYMHSA-N -1 3 294.267 1.396 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCCOC2)c2[n-]cnc21 ZINC001227690621 942205809 /nfs/dbraw/zinc/20/58/09/942205809.db2.gz JGIHEUSXLMLYBT-SSDOTTSWSA-N -1 3 264.241 1.424 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)CN2CCOCC2)n1 ZINC001231258677 942837357 /nfs/dbraw/zinc/83/73/57/942837357.db2.gz BQYQCEOPKIEJEY-SNVBAGLBSA-N -1 3 297.311 1.103 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001330668347 956554124 /nfs/dbraw/zinc/55/41/24/956554124.db2.gz ZSQRRGQDYRDRHD-LBPRGKRZSA-N -1 3 265.269 1.047 20 5 CDBDHM C[C@@H](CN(C)c1c(F)cccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000342845078 361770520 /nfs/dbraw/zinc/77/05/20/361770520.db2.gz XYYLWTWZIJYNBF-ZETCQYMHSA-N -1 3 280.263 1.487 20 5 CDBDHM C[C@@H](CN(C)c1c(F)cccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000342845078 361770523 /nfs/dbraw/zinc/77/05/23/361770523.db2.gz XYYLWTWZIJYNBF-ZETCQYMHSA-N -1 3 280.263 1.487 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H](CO)Cc2ccco2)c1[N+](=O)[O-] ZINC000596071332 343225662 /nfs/dbraw/zinc/22/56/62/343225662.db2.gz LJAQVRNNOAKULB-VIFPVBQESA-N -1 3 293.279 1.552 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC000596112606 343230428 /nfs/dbraw/zinc/23/04/28/343230428.db2.gz BVAVJPRRDGJXGX-VIFPVBQESA-N -1 3 267.285 1.294 20 5 CDBDHM O=c1[n-]ccc(N2CC(OCC(F)F)C2)c1[N+](=O)[O-] ZINC000596158463 343255157 /nfs/dbraw/zinc/25/51/57/343255157.db2.gz DTWRDDNJRBIJSE-UHFFFAOYSA-N -1 3 275.211 1.166 20 5 CDBDHM CCC[C@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596122954 343248397 /nfs/dbraw/zinc/24/83/97/343248397.db2.gz LGCXFBPXSWJXRQ-NSHDSACASA-N -1 3 255.274 1.658 20 5 CDBDHM O=c1[n-]ccc(NCCO[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596242276 343284921 /nfs/dbraw/zinc/28/49/21/343284921.db2.gz UCOORCRRGDFEEQ-JTQLQIEISA-N -1 3 283.284 1.651 20 5 CDBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000596233620 343262372 /nfs/dbraw/zinc/26/23/72/343262372.db2.gz YVVAWUAERJZFNA-PKPDKRHSSA-N -1 3 299.352 1.431 20 5 CDBDHM C[C@@]1(O)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596221277 343270483 /nfs/dbraw/zinc/27/04/83/343270483.db2.gz DQRLMNAVOOZZSM-GFCCVEGCSA-N -1 3 267.285 1.437 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]1(C)CO ZINC000596546347 343347931 /nfs/dbraw/zinc/34/79/31/343347931.db2.gz ZPSFCCLPTABMOE-QPUJVOFHSA-N -1 3 267.285 1.150 20 5 CDBDHM CC1(C)CC(=O)[N-]N(c2ccc([N+](=O)[O-])cc2F)C1=O ZINC000601939164 344287221 /nfs/dbraw/zinc/28/72/21/344287221.db2.gz JTZGPPLOCCANAF-UHFFFAOYSA-N -1 3 281.243 1.528 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1nccs1 ZINC000618694550 346154408 /nfs/dbraw/zinc/15/44/08/346154408.db2.gz RGZJPRVOJVMNRI-UHFFFAOYSA-N -1 3 253.243 1.037 20 5 CDBDHM CC1(C)[C@H](O)C[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000555582633 290227002 /nfs/dbraw/zinc/22/70/02/290227002.db2.gz HRBFUELIVOQAFH-NWDGAFQWSA-N -1 3 266.297 1.549 20 5 CDBDHM O=C([N-]OC[C@@H]1CCOC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000188336276 357880889 /nfs/dbraw/zinc/88/08/89/357880889.db2.gz QGSJGDJXBJGEJD-MRVPVSSYSA-N -1 3 284.243 1.432 20 5 CDBDHM CC(C)=CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000190241969 535371264 /nfs/dbraw/zinc/37/12/64/535371264.db2.gz BIKRQZCAZVXQKZ-UHFFFAOYSA-N -1 3 270.310 1.839 20 5 CDBDHM COc1cc(F)c([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])cc1F ZINC000558764135 357905348 /nfs/dbraw/zinc/90/53/48/357905348.db2.gz IKIVKVVSCCICQD-UHFFFAOYSA-N -1 3 298.205 1.857 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000611006656 358305740 /nfs/dbraw/zinc/30/57/40/358305740.db2.gz LOAUMJSKGNXXSG-UHFFFAOYSA-N -1 3 278.293 1.715 20 5 CDBDHM CN(C)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019844629 359021897 /nfs/dbraw/zinc/02/18/97/359021897.db2.gz PIMQQWKSHPMPEF-UHFFFAOYSA-N -1 3 253.258 1.267 20 5 CDBDHM Cc1noc([N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000042702869 364613495 /nfs/dbraw/zinc/61/34/95/364613495.db2.gz HRFZCTXKEZGYFB-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM CCc1[nH]nc(C(=O)Nc2ccc([O-])cc2F)c1[N+](=O)[O-] ZINC000180860727 365014995 /nfs/dbraw/zinc/01/49/95/365014995.db2.gz QDLPYUKNPYHMQG-UHFFFAOYSA-N -1 3 294.242 1.977 20 5 CDBDHM CC[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272614528 367781959 /nfs/dbraw/zinc/78/19/59/367781959.db2.gz XHFQSOYTYGARIL-VIFPVBQESA-N -1 3 288.250 1.574 20 5 CDBDHM CCOCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123209651 374009839 /nfs/dbraw/zinc/00/98/39/374009839.db2.gz ZUUVYURZWOKONQ-UHFFFAOYSA-N -1 3 294.354 1.280 20 5 CDBDHM Cc1nc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])sc1C ZINC000179329187 390952743 /nfs/dbraw/zinc/95/27/43/390952743.db2.gz CBSFYMVVYBMKCM-UHFFFAOYSA-N -1 3 267.270 1.644 20 5 CDBDHM Cc1nn(C)c(C(=O)Nc2cccc(C)c2[O-])c1[N+](=O)[O-] ZINC000179770376 390963993 /nfs/dbraw/zinc/96/39/93/390963993.db2.gz QQEJSGGKCOEJIC-UHFFFAOYSA-N -1 3 290.279 1.903 20 5 CDBDHM CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000416307797 391984795 /nfs/dbraw/zinc/98/47/95/391984795.db2.gz MOPZQHNGNAEWJY-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CN(C[C@H]1CCCN1C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000422044416 392951046 /nfs/dbraw/zinc/95/10/46/392951046.db2.gz XTBLRSJKROTJPQ-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000356163104 157379729 /nfs/dbraw/zinc/37/97/29/157379729.db2.gz LOQPMVQFQJZZSG-UHFFFAOYSA-N -1 3 279.231 1.598 20 5 CDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c[n-]nn1 ZINC000186319963 270261524 /nfs/dbraw/zinc/26/15/24/270261524.db2.gz JFTBCNCQFHYUFD-UHFFFAOYSA-N -1 3 281.659 1.296 20 5 CDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cnn[n-]1 ZINC000186319963 270261526 /nfs/dbraw/zinc/26/15/26/270261526.db2.gz JFTBCNCQFHYUFD-UHFFFAOYSA-N -1 3 281.659 1.296 20 5 CDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cn[n-]n1 ZINC000186319963 270261528 /nfs/dbraw/zinc/26/15/28/270261528.db2.gz JFTBCNCQFHYUFD-UHFFFAOYSA-N -1 3 281.659 1.296 20 5 CDBDHM N[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000399176618 270369488 /nfs/dbraw/zinc/36/94/88/270369488.db2.gz HZJHYHGWERNSMN-NSHDSACASA-N -1 3 265.269 1.366 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ncc([N+](=O)[O-])s1)C2 ZINC000558570200 290404248 /nfs/dbraw/zinc/40/42/48/290404248.db2.gz XLBFSRHFLDQNPV-UHFFFAOYSA-N -1 3 279.281 1.110 20 5 CDBDHM Cc1cc(N2CCc3c(nc[n-]c3=O)C2)ncc1[N+](=O)[O-] ZINC000574839251 295062762 /nfs/dbraw/zinc/06/27/62/295062762.db2.gz HSNFZTLIHLRFLU-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(C)(=O)=O ZINC000579436434 324184468 /nfs/dbraw/zinc/18/44/68/324184468.db2.gz LVWNECKKCTVJNJ-UHFFFAOYSA-N -1 3 273.314 1.787 20 5 CDBDHM O=C([O-])CC1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001601932918 1175070527 /nfs/dbraw/zinc/07/05/27/1175070527.db2.gz KIWDCDRSCOZEQD-UHFFFAOYSA-N -1 3 293.279 1.130 20 5 CDBDHM CCOCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825593739 608240760 /nfs/dbraw/zinc/24/07/60/608240760.db2.gz BOWGBBBXSYVYQG-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM CCOCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825593739 608240761 /nfs/dbraw/zinc/24/07/61/608240761.db2.gz BOWGBBBXSYVYQG-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM COc1c([O-])ccc(CN2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000891696769 617543265 /nfs/dbraw/zinc/54/32/65/617543265.db2.gz WMHFZJJBCCZAEV-VIFPVBQESA-N -1 3 282.296 1.530 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccncn1 ZINC001607081224 1164070318 /nfs/dbraw/zinc/07/03/18/1164070318.db2.gz CBAXITXSIBDKPN-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccncn1 ZINC001607081224 1164070325 /nfs/dbraw/zinc/07/03/25/1164070325.db2.gz CBAXITXSIBDKPN-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccco1 ZINC001593476185 1174082017 /nfs/dbraw/zinc/08/20/17/1174082017.db2.gz YQQWJWKMZGMYFL-UHFFFAOYSA-N -1 3 286.251 1.980 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccco1 ZINC001593476185 1174082023 /nfs/dbraw/zinc/08/20/23/1174082023.db2.gz YQQWJWKMZGMYFL-UHFFFAOYSA-N -1 3 286.251 1.980 20 5 CDBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H](C)O ZINC001604064398 1175742764 /nfs/dbraw/zinc/74/27/64/1175742764.db2.gz RVXRLAJRDKVZPF-XCBNKYQSSA-N -1 3 292.299 1.346 20 5 CDBDHM COC(=O)c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n(C)n1 ZINC001199814984 925876314 /nfs/dbraw/zinc/87/63/14/925876314.db2.gz RFDFJPRWMXJYLZ-UHFFFAOYSA-N -1 3 292.251 1.564 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC001156277163 938344450 /nfs/dbraw/zinc/34/44/50/938344450.db2.gz DKMYJLDWESSOJW-ZETCQYMHSA-N -1 3 297.702 1.567 20 5 CDBDHM O=c1cc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc[n-]1 ZINC001226946514 942100116 /nfs/dbraw/zinc/10/01/16/942100116.db2.gz JFHBBMGCVGVKJF-LLVKDONJSA-N -1 3 273.248 1.637 20 5 CDBDHM CC(C)N1CC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747019 942217425 /nfs/dbraw/zinc/21/74/25/942217425.db2.gz XRHJPPCFQIXNMF-UHFFFAOYSA-N -1 3 276.296 1.943 20 5 CDBDHM CC(C)N1CC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747019 942217429 /nfs/dbraw/zinc/21/74/29/942217429.db2.gz XRHJPPCFQIXNMF-UHFFFAOYSA-N -1 3 276.296 1.943 20 5 CDBDHM CC(=O)N1CC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227746826 942218605 /nfs/dbraw/zinc/21/86/05/942218605.db2.gz VVAISZDXVXLCKJ-UHFFFAOYSA-N -1 3 276.252 1.081 20 5 CDBDHM CC(=O)N1CC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227746826 942218610 /nfs/dbraw/zinc/21/86/10/942218610.db2.gz VVAISZDXVXLCKJ-UHFFFAOYSA-N -1 3 276.252 1.081 20 5 CDBDHM CCOC(=O)[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688106 942359031 /nfs/dbraw/zinc/35/90/31/942359031.db2.gz DTCVVUXREJKOKW-MRVPVSSYSA-N -1 3 284.268 1.724 20 5 CDBDHM CC(C)[N@@H+]1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228972277 942402264 /nfs/dbraw/zinc/40/22/64/942402264.db2.gz VEIRKZKQFJVALW-SNVBAGLBSA-N -1 3 282.296 1.868 20 5 CDBDHM CC(C)[N@H+]1CC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228972277 942402265 /nfs/dbraw/zinc/40/22/65/942402265.db2.gz VEIRKZKQFJVALW-SNVBAGLBSA-N -1 3 282.296 1.868 20 5 CDBDHM Cc1ncc([N+](=O)[O-])cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001249557639 949671427 /nfs/dbraw/zinc/67/14/27/949671427.db2.gz DKYDTXRJHIMFRS-UHFFFAOYSA-N -1 3 288.263 1.846 20 5 CDBDHM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC001603250411 972419206 /nfs/dbraw/zinc/41/92/06/972419206.db2.gz ASRIQUQIIINABX-ZCFIWIBFSA-N -1 3 264.241 1.034 20 5 CDBDHM CC(C)(C)[C@H](CO)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589712528 987846127 /nfs/dbraw/zinc/84/61/27/987846127.db2.gz YNHMNWYQKXXDGN-LBPRGKRZSA-N -1 3 296.323 1.790 20 5 CDBDHM COC[C@@H](C)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599277341 996829065 /nfs/dbraw/zinc/82/90/65/996829065.db2.gz BBBHDYCBQJULML-SECBINFHSA-N -1 3 298.295 1.183 20 5 CDBDHM O=[N+]([O-])c1cc([O-])ccc1-n1cc(C[C@H](O)C2CC2)nn1 ZINC000594651988 342933349 /nfs/dbraw/zinc/93/33/49/342933349.db2.gz HJWQZSZPUZWJCK-ZDUSSCGKSA-N -1 3 290.279 1.195 20 5 CDBDHM CN1CCN(c2ccccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC000565718124 365701738 /nfs/dbraw/zinc/70/17/38/365701738.db2.gz HAQYRWPPERPYCV-SNVBAGLBSA-N -1 3 279.296 1.047 20 5 CDBDHM CN(Cc1cnn(C)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596058957 343222913 /nfs/dbraw/zinc/22/29/13/343222913.db2.gz RDFBXJVPPQOLIL-UHFFFAOYSA-N -1 3 263.257 1.065 20 5 CDBDHM COC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(C)C ZINC000596148036 343244006 /nfs/dbraw/zinc/24/40/06/343244006.db2.gz YOBCPPLLGQMFNS-SECBINFHSA-N -1 3 297.311 1.943 20 5 CDBDHM CC(C)(CCCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596183393 343250605 /nfs/dbraw/zinc/25/06/05/343250605.db2.gz DHGBSYGYDHSQHY-UHFFFAOYSA-N -1 3 269.301 1.906 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182778 343250785 /nfs/dbraw/zinc/25/07/85/343250785.db2.gz SGTLCHUEVSLHML-SFYZADRCSA-N -1 3 253.258 1.675 20 5 CDBDHM CCO[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596264225 343279203 /nfs/dbraw/zinc/27/92/03/343279203.db2.gz JSGFLYHJSOYNNU-OCAPTIKFSA-N -1 3 253.258 1.675 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]1(C)CO ZINC000596546346 343347872 /nfs/dbraw/zinc/34/78/72/343347872.db2.gz ZPSFCCLPTABMOE-PRHODGIISA-N -1 3 267.285 1.150 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc([O-])c1F ZINC000535756624 282279450 /nfs/dbraw/zinc/27/94/50/282279450.db2.gz UBJYGVKZGWSJGJ-UHFFFAOYSA-N -1 3 280.215 1.425 20 5 CDBDHM CN(CC1(C)COC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599143946 343966773 /nfs/dbraw/zinc/96/67/73/343966773.db2.gz AEJDFHUQKINFGB-UHFFFAOYSA-N -1 3 253.258 1.168 20 5 CDBDHM COc1cc(CNC[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1[O-] ZINC000453635833 252330155 /nfs/dbraw/zinc/33/01/55/252330155.db2.gz VKGXMVBCYGNWMB-GXSJLCMTSA-N -1 3 296.323 1.966 20 5 CDBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619789176 350850680 /nfs/dbraw/zinc/85/06/80/350850680.db2.gz UXAOHASZEWKMRM-UHFFFAOYSA-N -1 3 295.280 1.039 20 5 CDBDHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000092925873 351300876 /nfs/dbraw/zinc/30/08/76/351300876.db2.gz WTRFWWGMXBWDES-ONGXEEELSA-N -1 3 264.281 1.890 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ccsc1[N+](=O)[O-])CC2 ZINC000611006955 358308002 /nfs/dbraw/zinc/30/80/02/358308002.db2.gz QJPHVDDPVFIDLC-UHFFFAOYSA-N -1 3 278.293 1.715 20 5 CDBDHM CCC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000451693112 359069894 /nfs/dbraw/zinc/06/98/94/359069894.db2.gz WRNIZQOBSDXVBK-UHFFFAOYSA-N -1 3 270.310 1.816 20 5 CDBDHM COCCCO[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000288054860 359150532 /nfs/dbraw/zinc/15/05/32/359150532.db2.gz IQXOLRYSHGHYLL-UHFFFAOYSA-N -1 3 299.239 1.201 20 5 CDBDHM Cn1c(C(=O)Nc2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000340123134 359564381 /nfs/dbraw/zinc/56/43/81/359564381.db2.gz HWSUMLCPPKBKBW-UHFFFAOYSA-N -1 3 261.237 1.891 20 5 CDBDHM CC[C@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272239938 367566573 /nfs/dbraw/zinc/56/65/73/367566573.db2.gz XHFQSOYTYGARIL-SECBINFHSA-N -1 3 288.250 1.574 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]C2CCC2)cc1[N+](=O)[O-] ZINC000416510732 242032076 /nfs/dbraw/zinc/03/20/76/242032076.db2.gz YEWQHKWILGEVSA-UHFFFAOYSA-N -1 3 276.339 1.796 20 5 CDBDHM CCN1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272515606 367745820 /nfs/dbraw/zinc/74/58/20/367745820.db2.gz GTMGZGKOMSFDAF-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1ccc(Sc2n[n-]c(CO)n2)c([N+](=O)[O-])c1 ZINC000530352772 374480779 /nfs/dbraw/zinc/48/07/79/374480779.db2.gz RFPJWJADJLZDBH-UHFFFAOYSA-N -1 3 266.282 1.665 20 5 CDBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2ccoc2)cc1 ZINC000351671568 375109153 /nfs/dbraw/zinc/10/91/53/375109153.db2.gz JFAOTWREQOTUKH-UHFFFAOYSA-N -1 3 282.277 1.666 20 5 CDBDHM CC(C)(CO)ON=C([O-])Nc1cccc([N+](=O)[O-])c1 ZINC000296454072 376157554 /nfs/dbraw/zinc/15/75/54/376157554.db2.gz YNEMJWAOYGFCNM-UHFFFAOYSA-N -1 3 269.257 1.419 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000296454072 376157560 /nfs/dbraw/zinc/15/75/60/376157560.db2.gz YNEMJWAOYGFCNM-UHFFFAOYSA-N -1 3 269.257 1.419 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C)n2C)c1 ZINC000345381691 378368197 /nfs/dbraw/zinc/36/81/97/378368197.db2.gz SINYWMSSFBAVNF-UHFFFAOYSA-N -1 3 291.267 1.293 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000278555716 194041921 /nfs/dbraw/zinc/04/19/21/194041921.db2.gz HLIGHXBCJBJJHF-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OCC(F)F ZINC000492627428 253259808 /nfs/dbraw/zinc/25/98/08/253259808.db2.gz UXKUCJWVLZJEDZ-WAYWQWQTSA-N -1 3 272.207 1.921 20 5 CDBDHM CN(C)[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269170722 132124639 /nfs/dbraw/zinc/12/46/39/132124639.db2.gz HJQJMOHSFJVPCV-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM COc1cc([O-])cc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000352449955 155195925 /nfs/dbraw/zinc/19/59/25/155195925.db2.gz PHAVXDRXUAZEBS-UHFFFAOYSA-N -1 3 291.263 1.900 20 5 CDBDHM CC(C)CONc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589647252 1173165278 /nfs/dbraw/zinc/16/52/78/1173165278.db2.gz HYGUTBZJZMCWSM-UHFFFAOYSA-N -1 3 293.287 1.357 20 5 CDBDHM CC(C)CONc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589647252 1173165283 /nfs/dbraw/zinc/16/52/83/1173165283.db2.gz HYGUTBZJZMCWSM-UHFFFAOYSA-N -1 3 293.287 1.357 20 5 CDBDHM Cc1cnccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193562114 280001334 /nfs/dbraw/zinc/00/13/34/280001334.db2.gz HZAIBFNSCPOVFG-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000532868462 282056618 /nfs/dbraw/zinc/05/66/18/282056618.db2.gz IYIXAGYBLHITOA-UHFFFAOYSA-N -1 3 279.227 1.698 20 5 CDBDHM COc1cc(F)c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])cc1F ZINC000154300226 289201691 /nfs/dbraw/zinc/20/16/91/289201691.db2.gz ATFQCYBWFFFKQY-UHFFFAOYSA-N -1 3 298.205 1.857 20 5 CDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)CN(C)C)n1 ZINC000570214983 316933457 /nfs/dbraw/zinc/93/34/57/316933457.db2.gz DIEIMGKDJPHLJG-QMMMGPOBSA-N -1 3 282.300 1.358 20 5 CDBDHM Cc1[nH]nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000770282586 575436272 /nfs/dbraw/zinc/43/62/72/575436272.db2.gz YCVZMUFMDOGKSC-UHFFFAOYSA-N -1 3 277.240 1.288 20 5 CDBDHM C[C@H](CO)CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736036630 575553309 /nfs/dbraw/zinc/55/33/09/575553309.db2.gz FRRVRQFCRRRHRI-SSDOTTSWSA-N -1 3 295.324 1.495 20 5 CDBDHM C[C@H](CO)CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736036630 575553312 /nfs/dbraw/zinc/55/33/12/575553312.db2.gz FRRVRQFCRRRHRI-SSDOTTSWSA-N -1 3 295.324 1.495 20 5 CDBDHM CSC[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737175508 575894792 /nfs/dbraw/zinc/89/47/92/575894792.db2.gz FEKDSQHZNOVVHH-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM CSC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737175508 575894795 /nfs/dbraw/zinc/89/47/95/575894795.db2.gz FEKDSQHZNOVVHH-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM O=[N+]([O-])c1cnc(NCCC2CC2)c(-c2nnn[n-]2)c1 ZINC000823651491 599078298 /nfs/dbraw/zinc/07/82/98/599078298.db2.gz MFTCIKFPXWRISX-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM O=[N+]([O-])c1cnc(NCCC2CC2)c(-c2nn[n-]n2)c1 ZINC000823651491 599078300 /nfs/dbraw/zinc/07/83/00/599078300.db2.gz MFTCIKFPXWRISX-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC000820728590 606424021 /nfs/dbraw/zinc/42/40/21/606424021.db2.gz XIWUBLLHCSZSCD-YUMQZZPRSA-N -1 3 289.299 1.405 20 5 CDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC000820728590 606424023 /nfs/dbraw/zinc/42/40/23/606424023.db2.gz XIWUBLLHCSZSCD-YUMQZZPRSA-N -1 3 289.299 1.405 20 5 CDBDHM C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000903600541 626030834 /nfs/dbraw/zinc/03/08/34/626030834.db2.gz CQNSQHBPJBHGLX-KOLCDFICSA-N -1 3 279.296 1.675 20 5 CDBDHM CCCCN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604181778 1163117700 /nfs/dbraw/zinc/11/77/00/1163117700.db2.gz JPKBCSGTPDODBB-UHFFFAOYSA-N -1 3 291.315 1.593 20 5 CDBDHM CCCCN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604181778 1163117709 /nfs/dbraw/zinc/11/77/09/1163117709.db2.gz JPKBCSGTPDODBB-UHFFFAOYSA-N -1 3 291.315 1.593 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589998735 1173230936 /nfs/dbraw/zinc/23/09/36/1173230936.db2.gz YWOANJZLIYZMEF-BQBZGAKWSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589998735 1173230940 /nfs/dbraw/zinc/23/09/40/1173230940.db2.gz YWOANJZLIYZMEF-BQBZGAKWSA-N -1 3 295.324 1.636 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@H](F)C1 ZINC001593468104 1174080087 /nfs/dbraw/zinc/08/00/87/1174080087.db2.gz HSOTUCMBFAELOQ-LURJTMIESA-N -1 3 296.237 1.462 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@H](F)C1 ZINC001593468104 1174080093 /nfs/dbraw/zinc/08/00/93/1174080093.db2.gz HSOTUCMBFAELOQ-LURJTMIESA-N -1 3 296.237 1.462 20 5 CDBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001593481142 1174085510 /nfs/dbraw/zinc/08/55/10/1174085510.db2.gz CXEQDBIFHWYXIS-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001593481142 1174085515 /nfs/dbraw/zinc/08/55/15/1174085515.db2.gz CXEQDBIFHWYXIS-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM CC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001603806954 1175639753 /nfs/dbraw/zinc/63/97/53/1175639753.db2.gz GLUADQVGNQCSCF-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM CC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001603806954 1175639756 /nfs/dbraw/zinc/63/97/56/1175639756.db2.gz GLUADQVGNQCSCF-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM CC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001604105796 1175764908 /nfs/dbraw/zinc/76/49/08/1175764908.db2.gz LTKLXOQCUUSXQV-MRVPVSSYSA-N -1 3 289.299 1.406 20 5 CDBDHM CC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001604105796 1175764915 /nfs/dbraw/zinc/76/49/15/1175764915.db2.gz LTKLXOQCUUSXQV-MRVPVSSYSA-N -1 3 289.299 1.406 20 5 CDBDHM O=C([N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)F ZINC000787582141 843820735 /nfs/dbraw/zinc/82/07/35/843820735.db2.gz SISAYFJPVXLYHA-UHFFFAOYSA-N -1 3 270.195 1.352 20 5 CDBDHM O=C(Cc1cccc(F)c1[N+](=O)[O-])[N-]OC[C@H]1CCOC1 ZINC000867711373 844779047 /nfs/dbraw/zinc/77/90/47/844779047.db2.gz QIPUNOSWTNKMBK-VIFPVBQESA-N -1 3 298.270 1.361 20 5 CDBDHM CCO[N-]C(=O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846090970 847379404 /nfs/dbraw/zinc/37/94/04/847379404.db2.gz GZMAMAIHFWEOTP-UHFFFAOYSA-N -1 3 287.703 1.406 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCCC1CC1 ZINC000817421313 847780728 /nfs/dbraw/zinc/78/07/28/847780728.db2.gz XBAUEBBXQCHEIV-UHFFFAOYSA-N -1 3 264.281 1.985 20 5 CDBDHM Cc1nnc([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001118529220 937637039 /nfs/dbraw/zinc/63/70/39/937637039.db2.gz LKEBCBUEWBGZPT-RXMQYKEDSA-N -1 3 265.229 1.560 20 5 CDBDHM COc1cccc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001164381712 939468724 /nfs/dbraw/zinc/46/87/24/939468724.db2.gz BKCLPQZLOCWTMN-SECBINFHSA-N -1 3 292.295 1.527 20 5 CDBDHM Cc1cc2[n-]c(O[C@H]3CNCC3(F)F)nc2cc1[N+](=O)[O-] ZINC001218233916 941047075 /nfs/dbraw/zinc/04/70/75/941047075.db2.gz AZBWOUHXZCFFST-JTQLQIEISA-N -1 3 298.249 1.765 20 5 CDBDHM CCCOC(=O)[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690729 942205948 /nfs/dbraw/zinc/20/59/48/942205948.db2.gz KGFJGGMTGHBGBD-ZETCQYMHSA-N -1 3 294.267 1.587 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCOC2=O)c1[N+](=O)[O-] ZINC001228684885 942356207 /nfs/dbraw/zinc/35/62/07/942356207.db2.gz ADQDUCSLWWLMBF-SSDOTTSWSA-N -1 3 268.225 1.088 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2COc3cnccc32)c1[N+](=O)[O-] ZINC001228689260 942359017 /nfs/dbraw/zinc/35/90/17/942359017.db2.gz QPMDQQUNABOHDL-LLVKDONJSA-N -1 3 289.247 1.911 20 5 CDBDHM CNC(=O)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001327661697 954985591 /nfs/dbraw/zinc/98/55/91/954985591.db2.gz WILTVIKZEDROBN-UHFFFAOYSA-N -1 3 294.311 1.048 20 5 CDBDHM COC[C@@](C)(NCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000053197702 957518210 /nfs/dbraw/zinc/51/82/10/957518210.db2.gz QZTYINVYYOTERQ-GFCCVEGCSA-N -1 3 268.269 1.174 20 5 CDBDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)[O-] ZINC001321694026 959909988 /nfs/dbraw/zinc/90/99/88/959909988.db2.gz MLUKUKICQOOFON-LURJTMIESA-N -1 3 290.222 1.759 20 5 CDBDHM CC(C)(C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001590435481 989997612 /nfs/dbraw/zinc/99/76/12/989997612.db2.gz IVEJPHWIRLWSPM-SNVBAGLBSA-N -1 3 295.295 1.605 20 5 CDBDHM C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001605426553 1163560567 /nfs/dbraw/zinc/56/05/67/1163560567.db2.gz RNGAYRUSWIFFEH-IYSWYEEDSA-N -1 3 275.272 1.177 20 5 CDBDHM C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001605426553 1163560571 /nfs/dbraw/zinc/56/05/71/1163560571.db2.gz RNGAYRUSWIFFEH-IYSWYEEDSA-N -1 3 275.272 1.177 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC12CC2 ZINC001593471178 1174082763 /nfs/dbraw/zinc/08/27/63/1174082763.db2.gz OYRRDHDFTOZHTL-MRVPVSSYSA-N -1 3 273.256 1.134 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)c1 ZINC000601195202 342488891 /nfs/dbraw/zinc/48/88/91/342488891.db2.gz HCYQWRWQDIDIEA-JTQLQIEISA-N -1 3 276.296 1.827 20 5 CDBDHM CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(=O)[O-] ZINC000595882897 343179687 /nfs/dbraw/zinc/17/96/87/343179687.db2.gz RWLRTJIMHFJQRJ-SECBINFHSA-N -1 3 282.296 1.898 20 5 CDBDHM O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCCCC1 ZINC000596077574 343226770 /nfs/dbraw/zinc/22/67/70/343226770.db2.gz KPBQBLXPRWUDNQ-UHFFFAOYSA-N -1 3 280.284 1.120 20 5 CDBDHM C[C@H](O)C[C@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596136680 343240494 /nfs/dbraw/zinc/24/04/94/343240494.db2.gz WLYJWDMQHHODAE-YUMQZZPRSA-N -1 3 255.274 1.514 20 5 CDBDHM CC(C)[C@H](O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596186355 343251626 /nfs/dbraw/zinc/25/16/26/343251626.db2.gz ROBKKUPUUHMUTN-NSHDSACASA-N -1 3 281.312 1.904 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000596241257 343284605 /nfs/dbraw/zinc/28/46/05/343284605.db2.gz AYWKUZGJTWILQX-VIFPVBQESA-N -1 3 275.268 1.343 20 5 CDBDHM CO[C@@H]1COCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596253798 343275599 /nfs/dbraw/zinc/27/55/99/343275599.db2.gz XBVXUAXSDJMAOQ-PSASIEDQSA-N -1 3 283.284 1.159 20 5 CDBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1cc(CO)on1 ZINC000610567601 346315544 /nfs/dbraw/zinc/31/55/44/346315544.db2.gz XBWDORKDEAPTKQ-UHFFFAOYSA-N -1 3 263.209 1.327 20 5 CDBDHM CN(C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000584612346 346379718 /nfs/dbraw/zinc/37/97/18/346379718.db2.gz SIMGMDPUBGVAPT-UHFFFAOYSA-N -1 3 287.703 1.245 20 5 CDBDHM CC(C)CO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153355111 188077858 /nfs/dbraw/zinc/07/78/58/188077858.db2.gz LMAXYJNZEOVFIU-UHFFFAOYSA-N -1 3 252.270 1.841 20 5 CDBDHM CN(CCN(C)C1CC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567616646 358707870 /nfs/dbraw/zinc/70/78/70/358707870.db2.gz HMTRAYCCCHYJRO-UHFFFAOYSA-N -1 3 294.311 1.218 20 5 CDBDHM CCn1nccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000338193490 359100542 /nfs/dbraw/zinc/10/05/42/359100542.db2.gz XHMUJSABMYIINW-UHFFFAOYSA-N -1 3 277.240 1.164 20 5 CDBDHM CNC(=O)[C@@]1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339149326 359306071 /nfs/dbraw/zinc/30/60/71/359306071.db2.gz PEUJWOFUBALESL-AWEZNQCLSA-N -1 3 293.323 1.258 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000297352480 200159544 /nfs/dbraw/zinc/15/95/44/200159544.db2.gz YGDXBQITYRLZFJ-UHFFFAOYSA-N -1 3 272.232 1.166 20 5 CDBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]CC(F)F)c1 ZINC000351905616 370862264 /nfs/dbraw/zinc/86/22/64/370862264.db2.gz VJNIHATZFJYDHE-UHFFFAOYSA-N -1 3 294.279 1.755 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C2CCC2)c([N+](=O)[O-])c1 ZINC000416509511 242029070 /nfs/dbraw/zinc/02/90/70/242029070.db2.gz VALWUFFGGHNQON-UHFFFAOYSA-N -1 3 270.310 1.734 20 5 CDBDHM C[C@@H](CN(C)c1c(F)cc([N+](=O)[O-])cc1F)c1nnn[n-]1 ZINC000129864583 369910472 /nfs/dbraw/zinc/91/04/72/369910472.db2.gz KFDKVCLXJIZZMP-LURJTMIESA-N -1 3 298.253 1.626 20 5 CDBDHM C[C@@H](CN(C)c1c(F)cc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC000129864583 369910477 /nfs/dbraw/zinc/91/04/77/369910477.db2.gz KFDKVCLXJIZZMP-LURJTMIESA-N -1 3 298.253 1.626 20 5 CDBDHM CSCCO[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000280029811 374980402 /nfs/dbraw/zinc/98/04/02/374980402.db2.gz OKSPIBVGQWSGPO-UHFFFAOYSA-N -1 3 274.273 1.758 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332173359 375010238 /nfs/dbraw/zinc/01/02/38/375010238.db2.gz UTCNOSAJEXMYEX-VHSXEESVSA-N -1 3 284.337 1.838 20 5 CDBDHM CCN1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000332224756 375016985 /nfs/dbraw/zinc/01/69/85/375016985.db2.gz LVDINNCMUGHZEM-UHFFFAOYSA-N -1 3 279.340 1.828 20 5 CDBDHM CCC(=O)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000493543922 375462653 /nfs/dbraw/zinc/46/26/53/375462653.db2.gz KSKNAPKRFPORTO-UHFFFAOYSA-N -1 3 286.309 1.161 20 5 CDBDHM COCc1nnc(Sc2ccc([N+](=O)[O-])cn2)[n-]1 ZINC000354437229 375711861 /nfs/dbraw/zinc/71/18/61/375711861.db2.gz IFTMNUXPXNQIAT-UHFFFAOYSA-N -1 3 267.270 1.406 20 5 CDBDHM COCc1nc(Sc2ccc([N+](=O)[O-])cn2)n[n-]1 ZINC000354437229 375711867 /nfs/dbraw/zinc/71/18/67/375711867.db2.gz IFTMNUXPXNQIAT-UHFFFAOYSA-N -1 3 267.270 1.406 20 5 CDBDHM CSc1ccc(C(=O)[N-]c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000356414778 375843399 /nfs/dbraw/zinc/84/33/99/375843399.db2.gz FVHWEYDDSBDBOQ-UHFFFAOYSA-N -1 3 293.308 1.698 20 5 CDBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OCC(F)F ZINC000492562866 253246125 /nfs/dbraw/zinc/24/61/25/253246125.db2.gz LZXBAMRDTMFIAV-SNAWJCMRSA-N -1 3 272.207 1.921 20 5 CDBDHM NC(=O)c1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000193151390 393240941 /nfs/dbraw/zinc/24/09/41/393240941.db2.gz QHXBGLVGICDZPK-UHFFFAOYSA-N -1 3 298.305 1.464 20 5 CDBDHM CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000354121463 156276556 /nfs/dbraw/zinc/27/65/56/156276556.db2.gz DRRRHSVCZBXBAP-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000354121463 156276558 /nfs/dbraw/zinc/27/65/58/156276558.db2.gz DRRRHSVCZBXBAP-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM CSc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000354121463 156276560 /nfs/dbraw/zinc/27/65/60/156276560.db2.gz DRRRHSVCZBXBAP-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM CC(C)[C@H](NCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000035390925 172174879 /nfs/dbraw/zinc/17/48/79/172174879.db2.gz YBHRTBHTKXPNOO-NSHDSACASA-N -1 3 252.270 1.794 20 5 CDBDHM C[C@H](Nc1nc2[nH][n-]cc-2c(=N)n1)c1ccccc1[N+](=O)[O-] ZINC000354564649 299008562 /nfs/dbraw/zinc/00/85/62/299008562.db2.gz BZTGXVKTWQVMLS-ZETCQYMHSA-N -1 3 299.294 1.220 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)C1CC1 ZINC000046033661 302049221 /nfs/dbraw/zinc/04/92/21/302049221.db2.gz BUSXSCSZRKIEDB-SECBINFHSA-N -1 3 284.337 1.980 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1sccc1[N+](=O)[O-])CC2 ZINC000302049619 304811859 /nfs/dbraw/zinc/81/18/59/304811859.db2.gz ZREUKJJDTBSFLN-UHFFFAOYSA-N -1 3 278.293 1.715 20 5 CDBDHM CC(C)(NC(=O)c1c[n-]nn1)c1ccc([N+](=O)[O-])cc1 ZINC000579912847 324312039 /nfs/dbraw/zinc/31/20/39/324312039.db2.gz BVEIUYWXQRCDOW-UHFFFAOYSA-N -1 3 275.268 1.378 20 5 CDBDHM CC(C)(NC(=O)c1cnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000579912847 324312042 /nfs/dbraw/zinc/31/20/42/324312042.db2.gz BVEIUYWXQRCDOW-UHFFFAOYSA-N -1 3 275.268 1.378 20 5 CDBDHM CC(C)(NC(=O)c1cn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000579912847 324312044 /nfs/dbraw/zinc/31/20/44/324312044.db2.gz BVEIUYWXQRCDOW-UHFFFAOYSA-N -1 3 275.268 1.378 20 5 CDBDHM CCO[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000049346586 520239285 /nfs/dbraw/zinc/23/92/85/520239285.db2.gz YPLPSISQMSFDMA-UHFFFAOYSA-N -1 3 256.283 1.998 20 5 CDBDHM COCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736979648 575782022 /nfs/dbraw/zinc/78/20/22/575782022.db2.gz STHXBLLUKBITPD-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM COCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736979648 575782024 /nfs/dbraw/zinc/78/20/24/575782024.db2.gz STHXBLLUKBITPD-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM Cc1cc([O-])ccc1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000758532062 577114337 /nfs/dbraw/zinc/11/43/37/577114337.db2.gz SDYLNCWJRMIYES-UHFFFAOYSA-N -1 3 291.263 1.662 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820467226 599099865 /nfs/dbraw/zinc/09/98/65/599099865.db2.gz CBLMPTKJULFSDZ-BQBZGAKWSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820467226 599099868 /nfs/dbraw/zinc/09/98/68/599099868.db2.gz CBLMPTKJULFSDZ-BQBZGAKWSA-N -1 3 295.324 1.636 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001607082583 1164070059 /nfs/dbraw/zinc/07/00/59/1164070059.db2.gz RDROWZHEAUYPSI-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001607082583 1164070067 /nfs/dbraw/zinc/07/00/67/1164070067.db2.gz RDROWZHEAUYPSI-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCCCO ZINC001593470063 1174079159 /nfs/dbraw/zinc/07/91/59/1174079159.db2.gz FRRQWSMSQBXVRM-UHFFFAOYSA-N -1 3 292.299 1.349 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCCCO ZINC001593470063 1174079166 /nfs/dbraw/zinc/07/91/66/1174079166.db2.gz FRRQWSMSQBXVRM-UHFFFAOYSA-N -1 3 292.299 1.349 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Sc1ncco1 ZINC001593475652 1174082468 /nfs/dbraw/zinc/08/24/68/1174082468.db2.gz RIIKODUIXNZDLF-UHFFFAOYSA-N -1 3 290.264 1.914 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Sc1ncco1 ZINC001593475652 1174082475 /nfs/dbraw/zinc/08/24/75/1174082475.db2.gz RIIKODUIXNZDLF-UHFFFAOYSA-N -1 3 290.264 1.914 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC12CC2 ZINC001593471178 1174082752 /nfs/dbraw/zinc/08/27/52/1174082752.db2.gz OYRRDHDFTOZHTL-MRVPVSSYSA-N -1 3 273.256 1.134 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cnccn1 ZINC001593483527 1174085870 /nfs/dbraw/zinc/08/58/70/1174085870.db2.gz SZEYFJKPQQPKON-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cnccn1 ZINC001593483527 1174085882 /nfs/dbraw/zinc/08/58/82/1174085882.db2.gz SZEYFJKPQQPKON-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM CC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001603807127 1175639773 /nfs/dbraw/zinc/63/97/73/1175639773.db2.gz NFLONIHXCPHWFN-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM CC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001603807127 1175639776 /nfs/dbraw/zinc/63/97/76/1175639776.db2.gz NFLONIHXCPHWFN-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CSC2)c(F)c1 ZINC000921866234 698277639 /nfs/dbraw/zinc/27/76/39/698277639.db2.gz UDUFWQJCUUPNOW-UHFFFAOYSA-N -1 3 292.313 1.128 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1F ZINC000339117962 698341856 /nfs/dbraw/zinc/34/18/56/698341856.db2.gz GXCMNFTUASKTGE-RKDXNWHRSA-N -1 3 288.300 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCCO1 ZINC001607076756 1164070835 /nfs/dbraw/zinc/07/08/35/1164070835.db2.gz BDULUUUPSNGJAS-UHFFFAOYSA-N -1 3 280.219 1.056 20 5 CDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCCN2C)n1 ZINC001607589622 1164233659 /nfs/dbraw/zinc/23/36/59/1164233659.db2.gz VEWXZEWSHYCWPD-SECBINFHSA-N -1 3 294.311 1.503 20 5 CDBDHM CC(=O)N1CCC(N(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001068631734 849710228 /nfs/dbraw/zinc/71/02/28/849710228.db2.gz XFFGCZJSEMNTBK-UHFFFAOYSA-N -1 3 294.311 1.143 20 5 CDBDHM C[C@H](CO)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580055 850206104 /nfs/dbraw/zinc/20/61/04/850206104.db2.gz HOICMDFHWWVQNW-SSDOTTSWSA-N -1 3 290.222 1.063 20 5 CDBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C1CCOCC1 ZINC001225660427 941895000 /nfs/dbraw/zinc/89/50/00/941895000.db2.gz DIMNIJCIKOAKIN-QMMMGPOBSA-N -1 3 268.269 1.889 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC001228686557 942357755 /nfs/dbraw/zinc/35/77/55/942357755.db2.gz OIAADJDFUDAFTO-QMMMGPOBSA-N -1 3 254.242 1.562 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC001228688660 942358837 /nfs/dbraw/zinc/35/88/37/942358837.db2.gz MHOPOGZISXUGRN-CBAPKCEASA-N -1 3 268.269 1.808 20 5 CDBDHM CO[C@@H]1CCN(CCOc2[n-]c(C)cc(=O)c2[N+](=O)[O-])C1 ZINC001231261329 942837999 /nfs/dbraw/zinc/83/79/99/942837999.db2.gz ARNYDFBFSXLVAE-SNVBAGLBSA-N -1 3 297.311 1.103 20 5 CDBDHM CO[C@@H]1CCN(CCOc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231261329 942838004 /nfs/dbraw/zinc/83/80/04/942838004.db2.gz ARNYDFBFSXLVAE-SNVBAGLBSA-N -1 3 297.311 1.103 20 5 CDBDHM C[C@@H]1COC[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604820123 1163339199 /nfs/dbraw/zinc/33/91/99/1163339199.db2.gz WPXWTTVZMRWHGC-LDYMZIIASA-N -1 3 280.280 1.418 20 5 CDBDHM O=C(Nc1ccn2ccnc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590342955 342537204 /nfs/dbraw/zinc/53/72/04/342537204.db2.gz WNHUTWLMVXMEJV-UHFFFAOYSA-N -1 3 299.246 1.595 20 5 CDBDHM COCCN(C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000591269750 342623487 /nfs/dbraw/zinc/62/34/87/342623487.db2.gz WDQLULCSMHYHNP-GQCTYLIASA-N -1 3 294.307 1.641 20 5 CDBDHM CN(C)CC(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457205909 365708572 /nfs/dbraw/zinc/70/85/72/365708572.db2.gz 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CDBDHM CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000422034763 374345874 /nfs/dbraw/zinc/34/58/74/374345874.db2.gz JZDGEGIYQPUFKH-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM CC(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048664325 375334780 /nfs/dbraw/zinc/33/47/80/375334780.db2.gz TXDNXUOQLHUMOQ-UHFFFAOYSA-N -1 3 276.289 1.668 20 5 CDBDHM O=C([N-]c1nncn1C1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000285955141 390187929 /nfs/dbraw/zinc/18/79/29/390187929.db2.gz VRLYBGMIBMGGGU-UHFFFAOYSA-N -1 3 291.242 1.913 20 5 CDBDHM CN(C)CC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000281630283 195314917 /nfs/dbraw/zinc/31/49/17/195314917.db2.gz GPGMGDAQZGLLHQ-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000516933261 390967136 /nfs/dbraw/zinc/96/71/36/390967136.db2.gz YBPFKZHHEVCBQT-CQSZACIVSA-N -1 3 294.307 1.900 20 5 CDBDHM CCO[C@H]1C[C@@H](NCc2cc(OC)c([O-])cc2[N+](=O)[O-])C1 ZINC000459640875 392495543 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O=C(Cc1ccccc1[N+](=O)[O-])N=c1cc2ccccn2[n-]1 ZINC000552999936 290089388 /nfs/dbraw/zinc/08/93/88/290089388.db2.gz XRRSFYOPPVZHDI-UHFFFAOYSA-N -1 3 296.286 1.846 20 5 CDBDHM Cc1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])n1C ZINC000345395138 302819972 /nfs/dbraw/zinc/81/99/72/302819972.db2.gz RJZYPXWCUXRKMD-UHFFFAOYSA-N -1 3 279.231 1.423 20 5 CDBDHM CO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000563637805 316348979 /nfs/dbraw/zinc/34/89/79/316348979.db2.gz PKOGHOMMPKLVMW-YPMHNXCESA-N -1 3 294.307 1.659 20 5 CDBDHM COCc1cnc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000340826356 523151570 /nfs/dbraw/zinc/15/15/70/523151570.db2.gz XWEKIOYTHGPOJC-UHFFFAOYSA-N -1 3 297.296 1.482 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCOC2)c(-c2nnn[n-]2)c1 ZINC000738371729 576064072 /nfs/dbraw/zinc/06/40/72/576064072.db2.gz XLVYQUFAVKPNIY-MRVPVSSYSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCOC2)c(-c2nn[n-]n2)c1 ZINC000738371729 576064074 /nfs/dbraw/zinc/06/40/74/576064074.db2.gz XLVYQUFAVKPNIY-MRVPVSSYSA-N -1 3 290.283 1.366 20 5 CDBDHM CC1CC([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768847532 576312933 /nfs/dbraw/zinc/31/29/33/576312933.db2.gz PENQAGCXFJZEOS-UHFFFAOYSA-N -1 3 276.339 1.733 20 5 CDBDHM C[C@H](C(=O)[N-]C1=NCCS1)c1cccc([N+](=O)[O-])c1 ZINC000761422193 576575317 /nfs/dbraw/zinc/57/53/17/576575317.db2.gz SEIPOZAEGNNVQO-QMMMGPOBSA-N -1 3 279.321 1.917 20 5 CDBDHM C[C@@H](CO)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820286705 599106628 /nfs/dbraw/zinc/10/66/28/599106628.db2.gz DPCPNJFVFLCAKF-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@@H](CO)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820286705 599106629 /nfs/dbraw/zinc/10/66/29/599106629.db2.gz DPCPNJFVFLCAKF-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000820777450 606418697 /nfs/dbraw/zinc/41/86/97/606418697.db2.gz RHENWBZICYCHHL-HTQZYQBOSA-N -1 3 289.299 1.262 20 5 CDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000820777450 606418699 /nfs/dbraw/zinc/41/86/99/606418699.db2.gz RHENWBZICYCHHL-HTQZYQBOSA-N -1 3 289.299 1.262 20 5 CDBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820623792 606423787 /nfs/dbraw/zinc/42/37/87/606423787.db2.gz YSGOWDVCVPYVJB-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820623792 606423792 /nfs/dbraw/zinc/42/37/92/606423792.db2.gz YSGOWDVCVPYVJB-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000823647271 607009391 /nfs/dbraw/zinc/00/93/91/607009391.db2.gz JMRQKFDESTYEFO-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000823647271 607009392 /nfs/dbraw/zinc/00/93/92/607009392.db2.gz JMRQKFDESTYEFO-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM COc1c([O-])ccc(CN2CCOCC23CC3)c1[N+](=O)[O-] ZINC000894279081 618436217 /nfs/dbraw/zinc/43/62/17/618436217.db2.gz LZMJBFSRMZVBJP-UHFFFAOYSA-N -1 3 294.307 1.674 20 5 CDBDHM CCn1cnc2c1CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000896654671 620184623 /nfs/dbraw/zinc/18/46/23/620184623.db2.gz QAEGSULZZUIESQ-UHFFFAOYSA-N -1 3 289.295 1.475 20 5 CDBDHM CC[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910358413 629026152 /nfs/dbraw/zinc/02/61/52/629026152.db2.gz UOJLLPQITLWTKN-SNVBAGLBSA-N -1 3 293.323 1.823 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC/C=C/C1CC1 ZINC001607080234 1164070130 /nfs/dbraw/zinc/07/01/30/1164070130.db2.gz JOSGHUXDWXPJSI-OWOJBTEDSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC/C=C/C1CC1 ZINC001607080234 1164070137 /nfs/dbraw/zinc/07/01/37/1164070137.db2.gz JOSGHUXDWXPJSI-OWOJBTEDSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCCO1 ZINC001607076756 1164070829 /nfs/dbraw/zinc/07/08/29/1164070829.db2.gz BDULUUUPSNGJAS-UHFFFAOYSA-N -1 3 280.219 1.056 20 5 CDBDHM O=[N+]([O-])c1cc(N2CCC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC001607078798 1164072462 /nfs/dbraw/zinc/07/24/62/1164072462.db2.gz MZICRNSANIVNBP-UHFFFAOYSA-N -1 3 296.237 1.620 20 5 CDBDHM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CO1 ZINC001609158393 1164804450 /nfs/dbraw/zinc/80/44/50/1164804450.db2.gz YPVHZUJKYZVYIH-SFYZADRCSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CO1 ZINC001609158393 1164804453 /nfs/dbraw/zinc/80/44/53/1164804453.db2.gz YPVHZUJKYZVYIH-SFYZADRCSA-N -1 3 290.283 1.364 20 5 CDBDHM Cc1cn(Cc2ccccc2-c2nnn[n-]2)nc1[N+](=O)[O-] ZINC001609439945 1164949381 /nfs/dbraw/zinc/94/93/81/1164949381.db2.gz OUHSZNONPIFNLL-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cn(Cc2ccccc2-c2nn[n-]n2)nc1[N+](=O)[O-] ZINC001609439945 1164949393 /nfs/dbraw/zinc/94/93/93/1164949393.db2.gz OUHSZNONPIFNLL-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM CC1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001603820452 1175643724 /nfs/dbraw/zinc/64/37/24/1175643724.db2.gz LPKAQCXNRBZRRL-UHFFFAOYSA-N -1 3 260.257 1.739 20 5 CDBDHM CC1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001603820452 1175643731 /nfs/dbraw/zinc/64/37/31/1175643731.db2.gz LPKAQCXNRBZRRL-UHFFFAOYSA-N -1 3 260.257 1.739 20 5 CDBDHM O=C([N-]Cc1c[nH]cn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778287091 705898262 /nfs/dbraw/zinc/89/82/62/705898262.db2.gz JEGATRSDCUGGPM-UHFFFAOYSA-N -1 3 296.233 1.726 20 5 CDBDHM CC(C)[C@@H](N)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000843147962 706114827 /nfs/dbraw/zinc/11/48/27/706114827.db2.gz JWNPQYUFFAXCGP-MRVPVSSYSA-N -1 3 251.246 1.629 20 5 CDBDHM COc1nc(NCc2ncccc2[O-])nc(C)c1[N+](=O)[O-] ZINC001169726988 928348924 /nfs/dbraw/zinc/34/89/24/928348924.db2.gz JPFSEKZGOWZJGY-UHFFFAOYSA-N -1 3 291.267 1.415 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000695455465 937265851 /nfs/dbraw/zinc/26/58/51/937265851.db2.gz JNFKODGMNCPZSG-SECBINFHSA-N -1 3 267.285 1.294 20 5 CDBDHM NCc1nccnc1[N-]c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001160246465 931316445 /nfs/dbraw/zinc/31/64/45/931316445.db2.gz UOGZVOWSUUUGIL-UHFFFAOYSA-N -1 3 280.675 1.636 20 5 CDBDHM CN1CCC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225623347 941889374 /nfs/dbraw/zinc/88/93/74/941889374.db2.gz NPHHLCFQRGSNPO-SECBINFHSA-N -1 3 252.270 1.773 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCCC2(C1)OCCO2 ZINC001225663650 941895935 /nfs/dbraw/zinc/89/59/35/941895935.db2.gz FEMDIWQPOWWNOR-SECBINFHSA-N -1 3 296.279 1.760 20 5 CDBDHM CCOC(=O)[C@H]1CCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667373 941896838 /nfs/dbraw/zinc/89/68/38/941896838.db2.gz RQMWKTJBYOVVQU-WCBMZHEXSA-N -1 3 296.279 1.806 20 5 CDBDHM CC1(C)COC(=O)[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747000 942218226 /nfs/dbraw/zinc/21/82/26/942218226.db2.gz XMIINLOCMOFYFD-JTQLQIEISA-N -1 3 291.263 1.802 20 5 CDBDHM CC1(C)COC(=O)[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747000 942218231 /nfs/dbraw/zinc/21/82/31/942218231.db2.gz XMIINLOCMOFYFD-JTQLQIEISA-N -1 3 291.263 1.802 20 5 CDBDHM COC(=O)C[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228684917 942356642 /nfs/dbraw/zinc/35/66/42/942356642.db2.gz BKVNKTGMJJMHTO-ZCFIWIBFSA-N -1 3 270.241 1.334 20 5 CDBDHM CCN1CC[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231259275 942836463 /nfs/dbraw/zinc/83/64/63/942836463.db2.gz IOJBVCZZJYZRII-SECBINFHSA-N -1 3 267.285 1.477 20 5 CDBDHM CCN1CC[C@@H](Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])C1 ZINC001231259275 942836460 /nfs/dbraw/zinc/83/64/60/942836460.db2.gz IOJBVCZZJYZRII-SECBINFHSA-N -1 3 267.285 1.477 20 5 CDBDHM C[C@@H](CN(C)Cc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC000094774770 967602678 /nfs/dbraw/zinc/60/26/78/967602678.db2.gz JWDXMZGDJSGDLZ-QMMMGPOBSA-N -1 3 270.260 1.886 20 5 CDBDHM COC[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC001599177889 996886580 /nfs/dbraw/zinc/88/65/80/996886580.db2.gz UGNYZLOYSFTROB-GFCCVEGCSA-N -1 3 294.307 1.808 20 5 CDBDHM COC(=O)c1ccnc([N-]c2c[nH]nc2C)c1[N+](=O)[O-] ZINC000590575343 342577187 /nfs/dbraw/zinc/57/71/87/342577187.db2.gz MVYBVRXEIWTUOL-UHFFFAOYSA-N -1 3 277.240 1.552 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)cc1[O-] ZINC000592357241 342688476 /nfs/dbraw/zinc/68/84/76/342688476.db2.gz XXQJETTYSSVUMH-QMMMGPOBSA-N -1 3 276.252 1.775 20 5 CDBDHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000092924877 342265326 /nfs/dbraw/zinc/26/53/26/342265326.db2.gz WHWAFTYJVLTYQR-SKDRFNHKSA-N -1 3 264.281 1.890 20 5 CDBDHM CC(C)N1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596110134 343229993 /nfs/dbraw/zinc/22/99/93/343229993.db2.gz MGKKFRQMDMYFCE-MRVPVSSYSA-N -1 3 280.284 1.117 20 5 CDBDHM CC(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596115878 343231887 /nfs/dbraw/zinc/23/18/87/343231887.db2.gz XFJZBFPABZRRAE-UHFFFAOYSA-N -1 3 294.311 1.366 20 5 CDBDHM COCC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596185806 343251673 /nfs/dbraw/zinc/25/16/73/343251673.db2.gz RLIBJGFETCXPCU-UHFFFAOYSA-N -1 3 281.312 1.948 20 5 CDBDHM Cc1nn(C)cc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596190010 343252914 /nfs/dbraw/zinc/25/29/14/343252914.db2.gz OKOPKXBZXAQINT-UHFFFAOYSA-N -1 3 263.257 1.349 20 5 CDBDHM O=c1[n-]ccc(N2CCC([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596191120 343253190 /nfs/dbraw/zinc/25/31/90/343253190.db2.gz IKVBEUKGAYLMPL-LLVKDONJSA-N -1 3 293.323 1.948 20 5 CDBDHM C[S@@](=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596224197 343271510 /nfs/dbraw/zinc/27/15/10/343271510.db2.gz BFDJWSUWJGZJTD-LJQANCHMSA-N -1 3 285.325 1.409 20 5 CDBDHM CCn1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596270822 343281740 /nfs/dbraw/zinc/28/17/40/343281740.db2.gz SOSREPZTEJRAAD-UHFFFAOYSA-N -1 3 263.257 1.524 20 5 CDBDHM COc1ccnc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000089983854 342392832 /nfs/dbraw/zinc/39/28/32/342392832.db2.gz YWTSBJGWQUIUHT-UHFFFAOYSA-N -1 3 277.240 1.282 20 5 CDBDHM C[S@](=O)[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596366229 343305502 /nfs/dbraw/zinc/30/55/02/343305502.db2.gz NACODAPXQXEHAX-WDKLKTEZSA-N -1 3 299.352 1.797 20 5 CDBDHM CC(C)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000123047958 187068227 /nfs/dbraw/zinc/06/82/27/187068227.db2.gz SEZMHCAHBQOVFR-UHFFFAOYSA-N -1 3 252.270 1.841 20 5 CDBDHM C[C@@]1(C(=O)[O-])CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062936171 358729806 /nfs/dbraw/zinc/72/98/06/358729806.db2.gz WVACMFUPPVYDOZ-CYBMUJFWSA-N -1 3 264.281 1.891 20 5 CDBDHM C[C@]1(C(=O)[O-])CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000571649978 359595340 /nfs/dbraw/zinc/59/53/40/359595340.db2.gz YLNGIXSQQVNMHR-AWEZNQCLSA-N -1 3 294.307 1.770 20 5 CDBDHM Cc1conc1[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000362412854 359788317 /nfs/dbraw/zinc/78/83/17/359788317.db2.gz VFVMELOIDPQYTM-UHFFFAOYSA-N -1 3 261.237 1.874 20 5 CDBDHM Cc1nn(C)c(C(=O)[N-]OC/C=C/Cl)c1[N+](=O)[O-] ZINC000291836792 239253029 /nfs/dbraw/zinc/25/30/29/239253029.db2.gz NEGCHAIGEFWDPB-ONEGZZNKSA-N -1 3 274.664 1.051 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC(=O)[O-] ZINC000572654078 363889047 /nfs/dbraw/zinc/88/90/47/363889047.db2.gz XTFXLOPUWUWDHS-VIFPVBQESA-N -1 3 252.270 1.981 20 5 CDBDHM COc1ccc(CN(C)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000042705302 364614444 /nfs/dbraw/zinc/61/44/44/364614444.db2.gz TUXOVPGJOZGOPP-SECBINFHSA-N -1 3 282.296 1.756 20 5 CDBDHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493342667 375444487 /nfs/dbraw/zinc/44/44/87/375444487.db2.gz YULLMHMBISDNQL-SBDDDAINSA-N -1 3 294.307 1.673 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCn1cccc1 ZINC000352953905 375556623 /nfs/dbraw/zinc/55/66/23/375556623.db2.gz XBSGXTGROAPBHE-UHFFFAOYSA-N -1 3 295.320 1.375 20 5 CDBDHM Cc1nc(N(C)C[C@H](C)c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000132898559 375629534 /nfs/dbraw/zinc/62/95/34/375629534.db2.gz YCEJIRPLAADZJO-ZETCQYMHSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1nc(N(C)C[C@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000132898559 375629536 /nfs/dbraw/zinc/62/95/36/375629536.db2.gz YCEJIRPLAADZJO-ZETCQYMHSA-N -1 3 277.288 1.051 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000278616728 194070973 /nfs/dbraw/zinc/07/09/73/194070973.db2.gz MFVBSGPTTVAVAC-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM O=c1[n-]c(=O)n(Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000091329636 285195165 /nfs/dbraw/zinc/19/51/65/285195165.db2.gz RDKVJLNPFLNRME-UHFFFAOYSA-N -1 3 281.655 1.147 20 5 CDBDHM CCn1nc(C)c([N+](=O)[O-])c1NCc1cnc(C)[n-]c1=O ZINC000359558720 390212771 /nfs/dbraw/zinc/21/27/71/390212771.db2.gz NLPUTEOAGOHTBF-UHFFFAOYSA-N -1 3 292.299 1.536 20 5 CDBDHM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H](C)CN1 ZINC000237482840 391471171 /nfs/dbraw/zinc/47/11/71/391471171.db2.gz HPSUGGVFNPZNHF-RKDXNWHRSA-N -1 3 279.296 1.123 20 5 CDBDHM COc1cc(CNCC2(OC)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000181075565 148173979 /nfs/dbraw/zinc/17/39/79/148173979.db2.gz UQOMPNWCTGVBOM-UHFFFAOYSA-N -1 3 296.323 1.968 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(NCc2cnc(C)[n-]c2=O)n1 ZINC000343615472 152244469 /nfs/dbraw/zinc/24/44/69/152244469.db2.gz YQOGQLYGWYEUGG-UHFFFAOYSA-N -1 3 275.268 1.714 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1NCc1nnc(C(F)(F)F)[n-]1 ZINC000359702110 158343224 /nfs/dbraw/zinc/34/32/24/158343224.db2.gz WKGRLILRROTMJJ-UHFFFAOYSA-N -1 3 291.193 1.077 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1NCc1n[n-]c(C(F)(F)F)n1 ZINC000359702110 158343228 /nfs/dbraw/zinc/34/32/28/158343228.db2.gz WKGRLILRROTMJJ-UHFFFAOYSA-N -1 3 291.193 1.077 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000359702110 158343231 /nfs/dbraw/zinc/34/32/31/158343231.db2.gz WKGRLILRROTMJJ-UHFFFAOYSA-N -1 3 291.193 1.077 20 5 CDBDHM C[C@@H]1CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590275897 1173335317 /nfs/dbraw/zinc/33/53/17/1173335317.db2.gz GOBRUYAOOGQGAD-SSDOTTSWSA-N -1 3 260.257 1.374 20 5 CDBDHM C[C@@H]1CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590275897 1173335309 /nfs/dbraw/zinc/33/53/09/1173335309.db2.gz GOBRUYAOOGQGAD-SSDOTTSWSA-N -1 3 260.257 1.374 20 5 CDBDHM CN[C@H](C)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420243955 277040367 /nfs/dbraw/zinc/04/03/67/277040367.db2.gz PUOHTTSEHTUXDU-MRVPVSSYSA-N -1 3 277.284 1.087 20 5 CDBDHM COc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)on1 ZINC000090706748 279280397 /nfs/dbraw/zinc/28/03/97/279280397.db2.gz FQNXBQGRSXXBGF-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM CC[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])OC ZINC001590445610 1173410790 /nfs/dbraw/zinc/41/07/90/1173410790.db2.gz GEPMIYGCXRNOHH-SECBINFHSA-N -1 3 292.299 1.612 20 5 CDBDHM CC[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])OC ZINC001590445610 1173410793 /nfs/dbraw/zinc/41/07/93/1173410793.db2.gz GEPMIYGCXRNOHH-SECBINFHSA-N -1 3 292.299 1.612 20 5 CDBDHM CCc1csc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000571623098 294471809 /nfs/dbraw/zinc/47/18/09/294471809.db2.gz HHUYLSBECDFLTK-UHFFFAOYSA-N -1 3 267.270 1.589 20 5 CDBDHM COc1cc(C[NH2+]CCCC(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000818561528 597265608 /nfs/dbraw/zinc/26/56/08/597265608.db2.gz NEBOJBFBIYMFPT-UHFFFAOYSA-N -1 3 284.268 1.263 20 5 CDBDHM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840670528 618382882 /nfs/dbraw/zinc/38/28/82/618382882.db2.gz HQVOYIXIXNCVNA-VXGBXAGGSA-N -1 3 293.275 1.346 20 5 CDBDHM CC(COC(=O)c1cccc(CC(=O)[O-])c1)[N+](=O)[O-] ZINC001604203091 1163125210 /nfs/dbraw/zinc/12/52/10/1163125210.db2.gz JKJDCSPYCROIME-MRVPVSSYSA-N -1 3 267.237 1.136 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cnccn1 ZINC001607080939 1164072127 /nfs/dbraw/zinc/07/21/27/1164072127.db2.gz VEWRYQKOSGQLPA-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cnccn1 ZINC001607080939 1164072135 /nfs/dbraw/zinc/07/21/35/1164072135.db2.gz VEWRYQKOSGQLPA-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ncccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001607085419 1164073790 /nfs/dbraw/zinc/07/37/90/1164073790.db2.gz BDDYERBVBWFXIJ-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ncccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001607085419 1164073799 /nfs/dbraw/zinc/07/37/99/1164073799.db2.gz BDDYERBVBWFXIJ-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM CC(F)(F)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609117394 1164780739 /nfs/dbraw/zinc/78/07/39/1164780739.db2.gz PIAYZCOZEIDYAX-UHFFFAOYSA-N -1 3 284.226 1.842 20 5 CDBDHM CC(F)(F)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609117394 1164780745 /nfs/dbraw/zinc/78/07/45/1164780745.db2.gz PIAYZCOZEIDYAX-UHFFFAOYSA-N -1 3 284.226 1.842 20 5 CDBDHM CC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609184085 1164823886 /nfs/dbraw/zinc/82/38/86/1164823886.db2.gz PGRLKFPQOVPUGJ-LBPRGKRZSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609184085 1164823893 /nfs/dbraw/zinc/82/38/93/1164823893.db2.gz PGRLKFPQOVPUGJ-LBPRGKRZSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](O)[C@H](C)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589995709 1173226549 /nfs/dbraw/zinc/22/65/49/1173226549.db2.gz LOUDQHCIAOHNHF-RQJHMYQMSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](O)[C@H](C)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589995709 1173226553 /nfs/dbraw/zinc/22/65/53/1173226553.db2.gz LOUDQHCIAOHNHF-RQJHMYQMSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590239978 1173310893 /nfs/dbraw/zinc/31/08/93/1173310893.db2.gz OOUXCZQGTBRYOQ-IONNQARKSA-N -1 3 289.299 1.770 20 5 CDBDHM C[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590239978 1173310900 /nfs/dbraw/zinc/31/09/00/1173310900.db2.gz OOUXCZQGTBRYOQ-IONNQARKSA-N -1 3 289.299 1.770 20 5 CDBDHM CC[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590860006 1173531965 /nfs/dbraw/zinc/53/19/65/1173531965.db2.gz FUUSSCFJUFZBKF-GMSGAONNSA-N -1 3 274.284 1.985 20 5 CDBDHM CC[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590860006 1173531969 /nfs/dbraw/zinc/53/19/69/1173531969.db2.gz FUUSSCFJUFZBKF-GMSGAONNSA-N -1 3 274.284 1.985 20 5 CDBDHM CON(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591463974 1173653469 /nfs/dbraw/zinc/65/34/69/1173653469.db2.gz AVKLVVMDNDCHRD-UHFFFAOYSA-N -1 3 264.245 1.081 20 5 CDBDHM CON(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591463974 1173653474 /nfs/dbraw/zinc/65/34/74/1173653474.db2.gz AVKLVVMDNDCHRD-UHFFFAOYSA-N -1 3 264.245 1.081 20 5 CDBDHM Cc1cc(N[C@H]2C[C@H](O)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592055613 1173789105 /nfs/dbraw/zinc/78/91/05/1173789105.db2.gz FLZHXAXMKSHAHX-ZKCHVHJHSA-N -1 3 290.283 1.019 20 5 CDBDHM Cc1cc(N[C@H]2C[C@H](O)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592055613 1173789110 /nfs/dbraw/zinc/78/91/10/1173789110.db2.gz FLZHXAXMKSHAHX-ZKCHVHJHSA-N -1 3 290.283 1.019 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NCCC(F)F)c1-c1nnn[n-]1 ZINC001592757287 1173987515 /nfs/dbraw/zinc/98/75/15/1173987515.db2.gz IYWXIKHLADAFAB-UHFFFAOYSA-N -1 3 299.241 1.424 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NCCC(F)F)c1-c1nn[n-]n1 ZINC001592757287 1173987520 /nfs/dbraw/zinc/98/75/20/1173987520.db2.gz IYWXIKHLADAFAB-UHFFFAOYSA-N -1 3 299.241 1.424 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC12CC2 ZINC001593475509 1174082821 /nfs/dbraw/zinc/08/28/21/1174082821.db2.gz PXOGCPRFRBBGNZ-SNVBAGLBSA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC12CC2 ZINC001593475509 1174082825 /nfs/dbraw/zinc/08/28/25/1174082825.db2.gz PXOGCPRFRBBGNZ-SNVBAGLBSA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1cnccc1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001593486921 1174083730 /nfs/dbraw/zinc/08/37/30/1174083730.db2.gz CYZDXJFRYGMMDC-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM Cn1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])n1 ZINC001600952601 1174676669 /nfs/dbraw/zinc/67/66/69/1174676669.db2.gz ZPLCPGOSTZWYOA-SNVBAGLBSA-N -1 3 294.311 1.015 20 5 CDBDHM CC(C)C1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603250080 1175525760 /nfs/dbraw/zinc/52/57/60/1175525760.db2.gz YSYAGAQJDUKKEH-UHFFFAOYSA-N -1 3 288.311 1.867 20 5 CDBDHM CC(C)C1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603250080 1175525765 /nfs/dbraw/zinc/52/57/65/1175525765.db2.gz YSYAGAQJDUKKEH-UHFFFAOYSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603566691 1175565734 /nfs/dbraw/zinc/56/57/34/1175565734.db2.gz SZLXHRRKAOPTMM-YUMQZZPRSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CO1 ZINC001603861291 1175657746 /nfs/dbraw/zinc/65/77/46/1175657746.db2.gz LNLIVRFLSHMDQJ-SFYZADRCSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CO1 ZINC001603861291 1175657751 /nfs/dbraw/zinc/65/77/51/1175657751.db2.gz LNLIVRFLSHMDQJ-SFYZADRCSA-N -1 3 290.283 1.364 20 5 CDBDHM Nc1ccc([N+](=O)[O-])c(N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000800860686 711901604 /nfs/dbraw/zinc/90/16/04/711901604.db2.gz WNBFUEBJZVGJOB-UHFFFAOYSA-N -1 3 287.279 1.235 20 5 CDBDHM C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)CCC(=O)[O-] ZINC001173222028 912307106 /nfs/dbraw/zinc/30/71/06/912307106.db2.gz SBKHLXRAQNEDCJ-JTQLQIEISA-N -1 3 294.307 1.549 20 5 CDBDHM CCC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059542418 906572794 /nfs/dbraw/zinc/57/27/94/906572794.db2.gz PKOHHWHXSRJCGO-OCAPTIKFSA-N -1 3 280.284 1.165 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1NCCCc1c[n-][nH]c1=O ZINC001156280147 938346267 /nfs/dbraw/zinc/34/62/67/938346267.db2.gz ZIVLGUOXSJAADK-VIFPVBQESA-N -1 3 277.284 1.222 20 5 CDBDHM COC(C[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21)OC ZINC001227691131 942205549 /nfs/dbraw/zinc/20/55/49/942205549.db2.gz MUHKYIQTFNSNJC-SSDOTTSWSA-N -1 3 296.283 1.642 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC001228689339 942359263 /nfs/dbraw/zinc/35/92/63/942359263.db2.gz RUCGPNPUPDESEV-CBAPKCEASA-N -1 3 268.269 1.950 20 5 CDBDHM Cc1ncc([N+](=O)[O-])cc1Nc1ccc(C(N)=O)cc1[O-] ZINC001249560966 949674219 /nfs/dbraw/zinc/67/42/19/949674219.db2.gz YTFXVWDOXFNUTN-UHFFFAOYSA-N -1 3 288.263 1.846 20 5 CDBDHM COc1cc(C[NH2+]CC(C)(C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC001343647462 964077631 /nfs/dbraw/zinc/07/76/31/964077631.db2.gz DRQOEPQPOSGFJH-UHFFFAOYSA-N -1 3 298.295 1.509 20 5 CDBDHM CO[C@@H]1CCC[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599321410 997586953 /nfs/dbraw/zinc/58/69/53/997586953.db2.gz FPSOJCOMXHSNKH-DGCLKSJQSA-N -1 3 294.307 1.950 20 5 CDBDHM CO[C@H](C)CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599325105 997648977 /nfs/dbraw/zinc/64/89/77/997648977.db2.gz FTZDYCPMUMLVGR-SECBINFHSA-N -1 3 298.295 1.183 20 5 CDBDHM CCn1c(=O)[n-]nc1SCc1onc(C)c1[N+](=O)[O-] ZINC000596017173 343219463 /nfs/dbraw/zinc/21/94/63/343219463.db2.gz OOGHPWBUHQLUHM-UHFFFAOYSA-N -1 3 285.285 1.501 20 5 CDBDHM CN(CCOCC1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596157203 343254450 /nfs/dbraw/zinc/25/44/50/343254450.db2.gz QKKHVASZDLZAQR-UHFFFAOYSA-N -1 3 267.285 1.558 20 5 CDBDHM CC1(C)COCCN1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596112296 343230328 /nfs/dbraw/zinc/23/03/28/343230328.db2.gz MMBMUTQBDIHHBC-UHFFFAOYSA-N -1 3 296.327 1.218 20 5 CDBDHM O=C1CC2(CCC2)C(=O)[N-]N1c1ccc([N+](=O)[O-])cc1F ZINC000601937582 344286384 /nfs/dbraw/zinc/28/63/84/344286384.db2.gz CDMYRAPRDFZUQN-UHFFFAOYSA-N -1 3 293.254 1.672 20 5 CDBDHM O=[N+]([O-])c1ccc2ncnc(NCc3ncccc3[O-])c2c1 ZINC000619501695 345452415 /nfs/dbraw/zinc/45/24/15/345452415.db2.gz MYQGLMGTCLVRAF-UHFFFAOYSA-N -1 3 297.274 1.673 20 5 CDBDHM COCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000056066430 347860727 /nfs/dbraw/zinc/86/07/27/347860727.db2.gz LFVUTBRKLJUMEH-UHFFFAOYSA-N -1 3 288.325 1.300 20 5 CDBDHM O=[N+]([O-])c1cnccc1NC([O-])=NOCCC(F)(F)F ZINC000157700014 188333099 /nfs/dbraw/zinc/33/30/99/188333099.db2.gz RICHLRIYSXQUBY-UHFFFAOYSA-N -1 3 294.189 1.995 20 5 CDBDHM O=C([N-]OCCC(F)(F)F)Nc1ccncc1[N+](=O)[O-] ZINC000157700014 188333100 /nfs/dbraw/zinc/33/31/00/188333100.db2.gz RICHLRIYSXQUBY-UHFFFAOYSA-N -1 3 294.189 1.995 20 5 CDBDHM COC(=O)c1cnc(SCCn2ccc([N+](=O)[O-])n2)[n-]1 ZINC000188092239 357845334 /nfs/dbraw/zinc/84/53/34/357845334.db2.gz DEUBZWDWTZGQKA-UHFFFAOYSA-N -1 3 297.296 1.093 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C)n2)c1 ZINC000582438931 364088970 /nfs/dbraw/zinc/08/89/70/364088970.db2.gz XXEBVYGYSIXFKP-UHFFFAOYSA-N -1 3 261.241 1.284 20 5 CDBDHM CC(C)(CCC(=O)[N-]OCc1cccnc1)[N+](=O)[O-] ZINC000295578276 370497977 /nfs/dbraw/zinc/49/79/77/370497977.db2.gz WTAVSLZTIZBDRA-UHFFFAOYSA-N -1 3 267.285 1.465 20 5 CDBDHM O=C(Nc1cncnc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000344972698 284400027 /nfs/dbraw/zinc/40/00/27/284400027.db2.gz DTUFCVDXOBEOFB-UHFFFAOYSA-N -1 3 284.235 1.513 20 5 CDBDHM CCOc1cc(Sc2n[n-]c(CO)n2)ccc1[N+](=O)[O-] ZINC000530352777 374480818 /nfs/dbraw/zinc/48/08/18/374480818.db2.gz SVFZJZAXBFDKGK-UHFFFAOYSA-N -1 3 296.308 1.755 20 5 CDBDHM Cc1ncc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000344764455 375421869 /nfs/dbraw/zinc/42/18/69/375421869.db2.gz ZJWNDUQTLKIQQB-UHFFFAOYSA-N -1 3 253.243 1.335 20 5 CDBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cc([N+](=O)[O-])n[nH]1 ZINC000354495190 375718974 /nfs/dbraw/zinc/71/89/74/375718974.db2.gz GWKBLQHBFJITIZ-UHFFFAOYSA-N -1 3 282.643 1.929 20 5 CDBDHM Cc1nc([N-]C(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000171549849 376796286 /nfs/dbraw/zinc/79/62/86/376796286.db2.gz VHZASGBHHLADRR-UHFFFAOYSA-N -1 3 253.243 1.335 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493648890 393215881 /nfs/dbraw/zinc/21/58/81/393215881.db2.gz SMPSTDRVMYSZAR-YVMONPNESA-N -1 3 280.280 1.427 20 5 CDBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000330455451 287040365 /nfs/dbraw/zinc/04/03/65/287040365.db2.gz NVXAIJZHLXUNEX-NXEZZACHSA-N -1 3 266.297 1.815 20 5 CDBDHM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC1 ZINC000068064989 279204415 /nfs/dbraw/zinc/20/44/15/279204415.db2.gz MGVIRBYISVIHFZ-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM O=[N+]([O-])c1ccn(-c2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC000738369208 574519457 /nfs/dbraw/zinc/51/94/57/574519457.db2.gz JIYLAPPCEZQCDF-UHFFFAOYSA-N -1 3 292.646 1.009 20 5 CDBDHM O=[N+]([O-])c1ccn(-c2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC000738369208 574519459 /nfs/dbraw/zinc/51/94/59/574519459.db2.gz JIYLAPPCEZQCDF-UHFFFAOYSA-N -1 3 292.646 1.009 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738373422 576064173 /nfs/dbraw/zinc/06/41/73/576064173.db2.gz CKQWJASFIRUBQF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738373422 576064175 /nfs/dbraw/zinc/06/41/75/576064175.db2.gz CKQWJASFIRUBQF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCC(F)(F)F ZINC000766773348 576133696 /nfs/dbraw/zinc/13/36/96/576133696.db2.gz CUBKEMRBAXNJLB-UHFFFAOYSA-N -1 3 278.186 1.747 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CCO)C1CC1 ZINC000763433321 576736849 /nfs/dbraw/zinc/73/68/49/576736849.db2.gz QMPNVDDARIILND-GFCCVEGCSA-N -1 3 266.297 1.551 20 5 CDBDHM O=C([O-])CC1(NCc2cccnc2[N+](=O)[O-])CC1 ZINC001601936360 1175073889 /nfs/dbraw/zinc/07/38/89/1175073889.db2.gz WCQPMADDQVGMFT-UHFFFAOYSA-N -1 3 251.242 1.087 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)[O-] ZINC000820853331 598216005 /nfs/dbraw/zinc/21/60/05/598216005.db2.gz IWZPVKYXZVPWGS-QMMMGPOBSA-N -1 3 268.269 1.556 20 5 CDBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC000820623243 606428492 /nfs/dbraw/zinc/42/84/92/606428492.db2.gz JJBIFFLYKVYEFV-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC000820623243 606428494 /nfs/dbraw/zinc/42/84/94/606428494.db2.gz JJBIFFLYKVYEFV-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM O=[N+]([O-])c1cc(NC2CC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC001607079654 1164070680 /nfs/dbraw/zinc/07/06/80/1164070680.db2.gz KIODSSXXARATAD-UHFFFAOYSA-N -1 3 296.237 1.985 20 5 CDBDHM C[C@H](F)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589911199 1173204352 /nfs/dbraw/zinc/20/43/52/1173204352.db2.gz JKJISQSMCZYAOS-LURJTMIESA-N -1 3 281.251 1.330 20 5 CDBDHM C[C@H](F)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589911199 1173204358 /nfs/dbraw/zinc/20/43/58/1173204358.db2.gz JKJISQSMCZYAOS-LURJTMIESA-N -1 3 281.251 1.330 20 5 CDBDHM CC1(C)C[C@@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590113194 1173261236 /nfs/dbraw/zinc/26/12/36/1173261236.db2.gz KBFZUNYQZWWAHO-JTQLQIEISA-N -1 3 274.284 1.985 20 5 CDBDHM CC1(C)C[C@@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590113194 1173261245 /nfs/dbraw/zinc/26/12/45/1173261245.db2.gz KBFZUNYQZWWAHO-JTQLQIEISA-N -1 3 274.284 1.985 20 5 CDBDHM CN(CCF)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591091101 1173570887 /nfs/dbraw/zinc/57/08/87/1173570887.db2.gz LQIMSXUELSPWNQ-UHFFFAOYSA-N -1 3 266.236 1.181 20 5 CDBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1[N+](=O)[O-] ZINC001591977446 1173761328 /nfs/dbraw/zinc/76/13/28/1173761328.db2.gz ISJBYBBGEOCRLS-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1[N+](=O)[O-] ZINC001591977446 1173761337 /nfs/dbraw/zinc/76/13/37/1173761337.db2.gz ISJBYBBGEOCRLS-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@H]2[C@@H]3CCC[C@@H]32)ccc1-c1nnn[n-]1 ZINC001593473461 1174081413 /nfs/dbraw/zinc/08/14/13/1174081413.db2.gz DDEWZINMESEJGC-GDGBQDQQSA-N -1 3 286.295 1.985 20 5 CDBDHM O=C(CC1CC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093486199 909854614 /nfs/dbraw/zinc/85/46/14/909854614.db2.gz IFOADQHYKKFCDJ-UHFFFAOYSA-N -1 3 280.284 1.024 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnn(CCO)c2)c1 ZINC001199819482 925857013 /nfs/dbraw/zinc/85/70/13/925857013.db2.gz SVXWHQCLWNLKHB-UHFFFAOYSA-N -1 3 264.241 1.233 20 5 CDBDHM COc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199814618 925876611 /nfs/dbraw/zinc/87/66/11/925876611.db2.gz LSLZQKIENAZUNA-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM CCC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095456860 932514304 /nfs/dbraw/zinc/51/43/04/932514304.db2.gz VXNBEOXMAMWVOX-UHFFFAOYSA-N -1 3 282.300 1.048 20 5 CDBDHM CCOC(=O)[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692583 942203453 /nfs/dbraw/zinc/20/34/53/942203453.db2.gz ACBPTDVACJHBCX-LURJTMIESA-N -1 3 280.240 1.197 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2C(=O)OCC2(C)C)c1[N+](=O)[O-] ZINC001228686994 942357791 /nfs/dbraw/zinc/35/77/91/942357791.db2.gz SRASTVSRJMYQOW-SNVBAGLBSA-N -1 3 282.252 1.334 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCn3ccnc32)c1[N+](=O)[O-] ZINC001228687321 942358005 /nfs/dbraw/zinc/35/80/05/942358005.db2.gz VPSLIFTXPTXCQX-QMMMGPOBSA-N -1 3 276.252 1.724 20 5 CDBDHM CC[C@@H](C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C(=O)[O-] ZINC001603573088 973703358 /nfs/dbraw/zinc/70/33/58/973703358.db2.gz FQYYTEVFTYKZAQ-QMMMGPOBSA-N -1 3 298.295 1.509 20 5 CDBDHM CC(COC(=O)CCc1ccc(C(=O)[O-])cc1)[N+](=O)[O-] ZINC001592765482 979372178 /nfs/dbraw/zinc/37/21/78/979372178.db2.gz VINHXUHWMVBKFW-VIFPVBQESA-N -1 3 281.264 1.526 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000601195171 342488903 /nfs/dbraw/zinc/48/89/03/342488903.db2.gz GGDUXZWDCMUPKL-ZETCQYMHSA-N -1 3 298.249 1.797 20 5 CDBDHM CCN1CCC[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162344717 342073048 /nfs/dbraw/zinc/07/30/48/342073048.db2.gz VDMIVADEDMEVRA-SNVBAGLBSA-N -1 3 294.311 1.584 20 5 CDBDHM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000594403685 342900524 /nfs/dbraw/zinc/90/05/24/342900524.db2.gz ZMGAOFRTWHRRHR-UHFFFAOYSA-N -1 3 291.267 1.096 20 5 CDBDHM CC(C)NCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000595929364 343183950 /nfs/dbraw/zinc/18/39/50/343183950.db2.gz SJZSXYNUZDOTBV-UHFFFAOYSA-N -1 3 287.703 1.890 20 5 CDBDHM CC(C)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596074279 343226016 /nfs/dbraw/zinc/22/60/16/343226016.db2.gz DEQWOKIFOVDNNQ-UHFFFAOYSA-N -1 3 266.301 1.226 20 5 CDBDHM CCCN1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596280386 343286959 /nfs/dbraw/zinc/28/69/59/343286959.db2.gz ZWOLRVWWWXEPMG-SECBINFHSA-N -1 3 294.311 1.366 20 5 CDBDHM CN(C[C@@H]1CCC[C@H]1O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596173892 343260198 /nfs/dbraw/zinc/26/01/98/343260198.db2.gz BRJNUJQIWRMXOX-WCBMZHEXSA-N -1 3 267.285 1.293 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000596546348 343347919 /nfs/dbraw/zinc/34/79/19/343347919.db2.gz ZPSFCCLPTABMOE-UFBFGSQYSA-N -1 3 267.285 1.150 20 5 CDBDHM C[C@@H]1CCN(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436979242 362244135 /nfs/dbraw/zinc/24/41/35/362244135.db2.gz LEFGPTAHDYMRFQ-SNVBAGLBSA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000604399876 344888016 /nfs/dbraw/zinc/88/80/16/344888016.db2.gz TZCIBWQWLKXXPH-VIFPVBQESA-N -1 3 284.337 1.919 20 5 CDBDHM CN(C)C1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000397868891 362502686 /nfs/dbraw/zinc/50/26/86/362502686.db2.gz DZLPOOARPLESPB-UHFFFAOYSA-N -1 3 280.284 1.194 20 5 CDBDHM CCO[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000128761387 187388941 /nfs/dbraw/zinc/38/89/41/187388941.db2.gz PAWJINDGDIKIGF-UHFFFAOYSA-N -1 3 263.253 1.686 20 5 CDBDHM COc1cc(C(=O)[N-]c2nc(C)n(C)n2)ccc1[N+](=O)[O-] ZINC000293668078 362908119 /nfs/dbraw/zinc/90/81/19/362908119.db2.gz JYCUPLCFQXDIJQ-UHFFFAOYSA-N -1 3 291.267 1.293 20 5 CDBDHM Cc1c(CN(C)CCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000037933078 362949035 /nfs/dbraw/zinc/94/90/35/362949035.db2.gz QPFYRDXKSWKNGG-UHFFFAOYSA-N -1 3 252.270 1.810 20 5 CDBDHM O=C([O-])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062134449 363014195 /nfs/dbraw/zinc/01/41/95/363014195.db2.gz BKONMYYIXAIJJM-SNVBAGLBSA-N -1 3 250.254 1.501 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000411992896 363403170 /nfs/dbraw/zinc/40/31/70/363403170.db2.gz XNJBOYRAUFYNAQ-MFKMUULPSA-N -1 3 296.323 1.178 20 5 CDBDHM Cc1cc(NCc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC000359896446 356436001 /nfs/dbraw/zinc/43/60/01/356436001.db2.gz HWFXUOFNHZXPHD-UHFFFAOYSA-N -1 3 260.253 1.433 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000339117960 359294932 /nfs/dbraw/zinc/29/49/32/359294932.db2.gz GXCMNFTUASKTGE-DTWKUNHWSA-N -1 3 288.300 1.764 20 5 CDBDHM O=C([O-])C[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000572371307 360479632 /nfs/dbraw/zinc/47/96/32/360479632.db2.gz WLEQDQMJWFBICC-NSHDSACASA-N -1 3 294.307 1.913 20 5 CDBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000427947548 247217321 /nfs/dbraw/zinc/21/73/21/247217321.db2.gz SGDCZCZXSXUMBK-UHFFFAOYSA-N -1 3 279.227 1.698 20 5 CDBDHM CCO[C@@H]1C[C@@H]1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000517069691 390968298 /nfs/dbraw/zinc/96/82/98/390968298.db2.gz DBVVOLZZCUQRER-JOYOIKCWSA-N -1 3 282.296 1.576 20 5 CDBDHM NC(=O)c1cc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)co1 ZINC000352183757 155004110 /nfs/dbraw/zinc/00/41/10/155004110.db2.gz HZNUBDBNIWKBBY-UHFFFAOYSA-N -1 3 293.210 1.678 20 5 CDBDHM CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184742323 289295549 /nfs/dbraw/zinc/29/55/49/289295549.db2.gz ZXHFDCHDCJVKQW-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(F)ccc1[O-] ZINC000174878344 315894268 /nfs/dbraw/zinc/89/42/68/315894268.db2.gz OSPQUKFVFKERHQ-UHFFFAOYSA-N -1 3 280.215 1.275 20 5 CDBDHM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N(C)C1CC1 ZINC000069534530 524718216 /nfs/dbraw/zinc/71/82/16/524718216.db2.gz KLZPEEJJYTUENX-VIFPVBQESA-N -1 3 293.323 1.513 20 5 CDBDHM COc1ccc([N-]C(=O)c2cnns2)cc1[N+](=O)[O-] ZINC000359994673 538220957 /nfs/dbraw/zinc/22/09/57/538220957.db2.gz VWTDXQWGIDHLOM-UHFFFAOYSA-N -1 3 280.265 1.707 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCOC1 ZINC000738358569 574515940 /nfs/dbraw/zinc/51/59/40/574515940.db2.gz NDVADWZZPQXMNM-VIFPVBQESA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCOC1 ZINC000738358569 574515941 /nfs/dbraw/zinc/51/59/41/574515941.db2.gz NDVADWZZPQXMNM-VIFPVBQESA-N -1 3 290.283 1.366 20 5 CDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnn(C)n2)c1 ZINC000770026635 575413590 /nfs/dbraw/zinc/41/35/90/575413590.db2.gz YLICJKXHXMZBOG-UHFFFAOYSA-N -1 3 294.296 1.093 20 5 CDBDHM CC(C)(CC(=O)[O-])NCc1csc([N+](=O)[O-])c1 ZINC000736317669 575621730 /nfs/dbraw/zinc/62/17/30/575621730.db2.gz YXIQMFZOCZHEFF-UHFFFAOYSA-N -1 3 258.299 1.999 20 5 CDBDHM CO[C@@H](C)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736962304 575777177 /nfs/dbraw/zinc/77/71/77/575777177.db2.gz OBJQKEPOFLOAJR-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM CO[C@@H](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736962304 575777179 /nfs/dbraw/zinc/77/71/79/575777179.db2.gz OBJQKEPOFLOAJR-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1C ZINC000741526049 576564362 /nfs/dbraw/zinc/56/43/62/576564362.db2.gz MWKAZBGRHTXRLF-UHFFFAOYSA-N -1 3 279.231 1.423 20 5 CDBDHM COCCSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821694643 599358098 /nfs/dbraw/zinc/35/80/98/599358098.db2.gz WDIIGFDZDKXKBN-UHFFFAOYSA-N -1 3 281.297 1.513 20 5 CDBDHM COCCSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821694643 599358100 /nfs/dbraw/zinc/35/81/00/599358100.db2.gz WDIIGFDZDKXKBN-UHFFFAOYSA-N -1 3 281.297 1.513 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC/C=C\C1CC1 ZINC001607080414 1164071530 /nfs/dbraw/zinc/07/15/30/1164071530.db2.gz JOSGHUXDWXPJSI-UPHRSURJSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC/C=C\C1CC1 ZINC001607080414 1164071536 /nfs/dbraw/zinc/07/15/36/1164071536.db2.gz JOSGHUXDWXPJSI-UPHRSURJSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(Oc2cccnc2)ccc1-c1nnn[n-]1 ZINC001607080333 1164072269 /nfs/dbraw/zinc/07/22/69/1164072269.db2.gz URUFGHQOIHEKHJ-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(-c2nnn[n-]2)cc1C ZINC001609388786 1164921679 /nfs/dbraw/zinc/92/16/79/1164921679.db2.gz NKMHXDYXKLOSQM-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(-c2nn[n-]n2)cc1C ZINC001609388786 1164921684 /nfs/dbraw/zinc/92/16/84/1164921684.db2.gz NKMHXDYXKLOSQM-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM C[C@@H]1CN=C([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])S1 ZINC000868972229 1165014969 /nfs/dbraw/zinc/01/49/69/1165014969.db2.gz VQXUTORGAHOQDY-ZCFIWIBFSA-N -1 3 283.284 1.955 20 5 CDBDHM CC1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590312768 1173347736 /nfs/dbraw/zinc/34/77/36/1173347736.db2.gz KECMKLMSTSQIBA-UHFFFAOYSA-N -1 3 278.247 1.370 20 5 CDBDHM CC1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590312768 1173347743 /nfs/dbraw/zinc/34/77/43/1173347743.db2.gz KECMKLMSTSQIBA-UHFFFAOYSA-N -1 3 278.247 1.370 20 5 CDBDHM CCON(CC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590817798 1173522494 /nfs/dbraw/zinc/52/24/94/1173522494.db2.gz JODRWJUDJSVEFJ-UHFFFAOYSA-N -1 3 292.299 1.548 20 5 CDBDHM CCON(CC)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590817798 1173522498 /nfs/dbraw/zinc/52/24/98/1173522498.db2.gz JODRWJUDJSVEFJ-UHFFFAOYSA-N -1 3 292.299 1.548 20 5 CDBDHM C[C@H](O)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591770495 1173700134 /nfs/dbraw/zinc/70/01/34/1173700134.db2.gz GZJRNLZSBYNDHT-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@H](O)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591770495 1173700138 /nfs/dbraw/zinc/70/01/38/1173700138.db2.gz GZJRNLZSBYNDHT-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC[C@@H]3C[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001593470752 1174079506 /nfs/dbraw/zinc/07/95/06/1174079506.db2.gz IJBHKBDGYLZMAB-RKDXNWHRSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]2C[C@H]21 ZINC001593469129 1174080394 /nfs/dbraw/zinc/08/03/94/1174080394.db2.gz XLVWCXFQMSQSPH-GZMMTYOYSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]2C[C@H]21 ZINC001593469129 1174080400 /nfs/dbraw/zinc/08/04/00/1174080400.db2.gz XLVWCXFQMSQSPH-GZMMTYOYSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC(F)CC2)c(-c2nnn[n-]2)c1 ZINC001593486228 1174083759 /nfs/dbraw/zinc/08/37/59/1174083759.db2.gz NXLDJPRINFTGRH-UHFFFAOYSA-N -1 3 293.262 1.108 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC(F)CC2)c(-c2nn[n-]n2)c1 ZINC001593486228 1174083764 /nfs/dbraw/zinc/08/37/64/1174083764.db2.gz NXLDJPRINFTGRH-UHFFFAOYSA-N -1 3 293.262 1.108 20 5 CDBDHM CC(C)(F)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603158000 1175504971 /nfs/dbraw/zinc/50/49/71/1175504971.db2.gz OUUKKFFUTIKQOE-UHFFFAOYSA-N -1 3 281.251 1.330 20 5 CDBDHM CC(C)(F)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603158000 1175504979 /nfs/dbraw/zinc/50/49/79/1175504979.db2.gz OUUKKFFUTIKQOE-UHFFFAOYSA-N -1 3 281.251 1.330 20 5 CDBDHM Cc1cc(C)c(-n2[n-]c(=O)nc2CN)c(C)c1[N+](=O)[O-] ZINC001168760590 923142132 /nfs/dbraw/zinc/14/21/32/923142132.db2.gz CEBUXIDIJBXRPZ-UHFFFAOYSA-N -1 3 277.284 1.265 20 5 CDBDHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001226464850 942008873 /nfs/dbraw/zinc/00/88/73/942008873.db2.gz UGRBAPHBWGLFGR-QMMMGPOBSA-N -1 3 276.252 1.934 20 5 CDBDHM CCOc1cc(SCCc2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001307145139 956369491 /nfs/dbraw/zinc/36/94/91/956369491.db2.gz KUSMQCZPUFEYPY-UHFFFAOYSA-N -1 3 295.324 1.841 20 5 CDBDHM CCOc1cc(SCCc2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001307145139 956369501 /nfs/dbraw/zinc/36/95/01/956369501.db2.gz KUSMQCZPUFEYPY-UHFFFAOYSA-N -1 3 295.324 1.841 20 5 CDBDHM CCC(=O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309387875 956633940 /nfs/dbraw/zinc/63/39/40/956633940.db2.gz PTGFGJUYPOTHPU-UHFFFAOYSA-N -1 3 292.338 1.222 20 5 CDBDHM O=C(Nc1[nH]nc2cc([O-])ccc21)c1cccc([N+](=O)[O-])c1 ZINC000590558508 342576617 /nfs/dbraw/zinc/57/66/17/342576617.db2.gz RJUIAIYDVLVHMN-UHFFFAOYSA-N -1 3 298.258 1.851 20 5 CDBDHM C[C@@H](CN(C)C)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166825850 362081002 /nfs/dbraw/zinc/08/10/02/362081002.db2.gz DUXAMZQZMPGNHA-ZETCQYMHSA-N -1 3 268.273 1.050 20 5 CDBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000596119004 343232703 /nfs/dbraw/zinc/23/27/03/343232703.db2.gz IBLHDSZONWDUGB-BDAKNGLRSA-N -1 3 267.285 1.699 20 5 CDBDHM COC(=O)[C@H](C)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596128054 343237799 /nfs/dbraw/zinc/23/77/99/343237799.db2.gz GEOKQKBOFFHXQJ-ZCFIWIBFSA-N -1 3 272.282 1.597 20 5 CDBDHM CCOC(=O)[C@@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596152092 343246264 /nfs/dbraw/zinc/24/62/64/343246264.db2.gz HDVDSPQMYAEYJW-ZETCQYMHSA-N -1 3 269.257 1.307 20 5 CDBDHM CC(C)[C@@]1(CO)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596245704 343286170 /nfs/dbraw/zinc/28/61/70/343286170.db2.gz CKRFEXOTVADDKM-AWEZNQCLSA-N -1 3 295.339 1.930 20 5 CDBDHM Cc1cc(C[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])n[nH]1 ZINC000596165071 343257301 /nfs/dbraw/zinc/25/73/01/343257301.db2.gz JEMFXXVSXYRZLM-ZETCQYMHSA-N -1 3 277.284 1.770 20 5 CDBDHM Cc1cc(C[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]n1 ZINC000596165071 343257304 /nfs/dbraw/zinc/25/73/04/343257304.db2.gz JEMFXXVSXYRZLM-ZETCQYMHSA-N -1 3 277.284 1.770 20 5 CDBDHM Cn1ccnc1[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596174242 343260095 /nfs/dbraw/zinc/26/00/95/343260095.db2.gz JHQPUVLRQRFZSF-VIFPVBQESA-N -1 3 289.295 1.423 20 5 CDBDHM CC(C)OC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596197630 343262661 /nfs/dbraw/zinc/26/26/61/343262661.db2.gz SVBZKZNNCXFZOO-SNVBAGLBSA-N -1 3 297.311 1.326 20 5 CDBDHM O=c1[n-]ccc(N2CC([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000596223038 343271187 /nfs/dbraw/zinc/27/11/87/343271187.db2.gz LDLXPQINFKOGPE-MRVPVSSYSA-N -1 3 265.269 1.168 20 5 CDBDHM Cn1nc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C1CC1 ZINC000596236325 343282680 /nfs/dbraw/zinc/28/26/80/343282680.db2.gz GMLCKHBWGMBUQZ-UHFFFAOYSA-N -1 3 275.268 1.472 20 5 CDBDHM C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCN1C ZINC000436824190 362253376 /nfs/dbraw/zinc/25/33/76/362253376.db2.gz ACDSKBYDYZDQJZ-SKDRFNHKSA-N -1 3 293.323 1.513 20 5 CDBDHM O=[N+]([O-])c1ccc(CCSCCc2nnn[n-]2)cc1 ZINC000603340793 344772559 /nfs/dbraw/zinc/77/25/59/344772559.db2.gz WDPHCWZYNDWPIY-UHFFFAOYSA-N -1 3 279.325 1.626 20 5 CDBDHM O=[N+]([O-])c1ccc(CCSCCc2nn[n-]n2)cc1 ZINC000603340793 344772560 /nfs/dbraw/zinc/77/25/60/344772560.db2.gz WDPHCWZYNDWPIY-UHFFFAOYSA-N -1 3 279.325 1.626 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000609670115 345988671 /nfs/dbraw/zinc/98/86/71/345988671.db2.gz JMWYZNRTFCMLGM-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM CCS(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000128487771 187373309 /nfs/dbraw/zinc/37/33/09/187373309.db2.gz CZOJSPADRLFPHE-UHFFFAOYSA-N -1 3 260.271 1.365 20 5 CDBDHM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCCN(C)C1 ZINC000154593427 188152892 /nfs/dbraw/zinc/15/28/92/188152892.db2.gz GVIJAKUSMYTYSI-SNVBAGLBSA-N -1 3 293.323 1.467 20 5 CDBDHM O=C([O-])CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000261991749 357352645 /nfs/dbraw/zinc/35/26/45/357352645.db2.gz KJPQADDFNHQCMR-UHFFFAOYSA-N -1 3 290.222 1.761 20 5 CDBDHM Cc1c(NC(=O)[N-]OC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000189448145 358012336 /nfs/dbraw/zinc/01/23/36/358012336.db2.gz YBCAZPHDWVGDTH-SNVBAGLBSA-N -1 3 295.295 1.993 20 5 CDBDHM COc1cc(C(=O)[N-]OCC(C)C)c([N+](=O)[O-])cc1OC ZINC000135344456 358260701 /nfs/dbraw/zinc/26/07/01/358260701.db2.gz CXGRBYXKIZBGSA-UHFFFAOYSA-N -1 3 298.295 1.929 20 5 CDBDHM CCc1ccc([N+](=O)[O-])cc1NC([O-])=NOC(C)(C)CO ZINC000297531079 200220658 /nfs/dbraw/zinc/22/06/58/200220658.db2.gz XGXKUIDKQDCNHC-UHFFFAOYSA-N -1 3 297.311 1.981 20 5 CDBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC(C)(C)CO ZINC000297531079 200220660 /nfs/dbraw/zinc/22/06/60/200220660.db2.gz XGXKUIDKQDCNHC-UHFFFAOYSA-N -1 3 297.311 1.981 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C1CC1 ZINC000046033660 360044683 /nfs/dbraw/zinc/04/46/83/360044683.db2.gz BUSXSCSZRKIEDB-VIFPVBQESA-N -1 3 284.337 1.980 20 5 CDBDHM COc1c(C(=O)[N-]c2nc(C)n(C)n2)cccc1[N+](=O)[O-] ZINC000344569412 364116618 /nfs/dbraw/zinc/11/66/18/364116618.db2.gz YPKSKSWEMDYBRA-UHFFFAOYSA-N -1 3 291.267 1.293 20 5 CDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cccc2nn[n-]c21 ZINC000163545807 371270083 /nfs/dbraw/zinc/27/00/83/371270083.db2.gz SHRZDTOXIWDUQW-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cccc2[n-]nnc21 ZINC000163545807 371270088 /nfs/dbraw/zinc/27/00/88/371270088.db2.gz SHRZDTOXIWDUQW-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cccc2n[n-]nc21 ZINC000163545807 371270094 /nfs/dbraw/zinc/27/00/94/371270094.db2.gz SHRZDTOXIWDUQW-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C ZINC000356614153 372985315 /nfs/dbraw/zinc/98/53/15/372985315.db2.gz UCBXZCSFTXITKY-MWLCHTKSSA-N -1 3 293.323 1.513 20 5 CDBDHM CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000123207931 374009508 /nfs/dbraw/zinc/00/95/08/374009508.db2.gz JWROVHITSVHQGH-UHFFFAOYSA-N -1 3 279.231 1.667 20 5 CDBDHM O=[N+]([O-])c1cnccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274822012 374684601 /nfs/dbraw/zinc/68/46/01/374684601.db2.gz KBWQYZSCBFZJDZ-JTQLQIEISA-N -1 3 282.256 1.570 20 5 CDBDHM CC(C)(CO)ON=C([O-])Nc1ccc([N+](=O)[O-])cc1 ZINC000296474376 376179710 /nfs/dbraw/zinc/17/97/10/376179710.db2.gz XCQWGOVGVVNCQI-UHFFFAOYSA-N -1 3 269.257 1.419 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000296474376 376179717 /nfs/dbraw/zinc/17/97/17/376179717.db2.gz XCQWGOVGVVNCQI-UHFFFAOYSA-N -1 3 269.257 1.419 20 5 CDBDHM CCc1nn(C)c([N-]c2cc(C3CC3)n(C)n2)c1[N+](=O)[O-] ZINC000357621134 378590123 /nfs/dbraw/zinc/59/01/23/378590123.db2.gz XVIDJGYTCNNSQV-UHFFFAOYSA-N -1 3 290.327 1.667 20 5 CDBDHM COC(=O)c1cnc(SCc2c([N+](=O)[O-])ncn2C)[n-]1 ZINC000432670685 390485319 /nfs/dbraw/zinc/48/53/19/390485319.db2.gz SRKXRBOQYULBIP-UHFFFAOYSA-N -1 3 297.296 1.130 20 5 CDBDHM C[C@@H]1CCN(C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356586076 391077800 /nfs/dbraw/zinc/07/78/00/391077800.db2.gz YRTRKKOWERBCOE-SNVBAGLBSA-N -1 3 293.323 1.467 20 5 CDBDHM CN(C)C1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000416310352 391985191 /nfs/dbraw/zinc/98/51/91/391985191.db2.gz ZKXUQYHISPAHMY-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CC[C@@H](C(=O)[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000191429878 276410594 /nfs/dbraw/zinc/41/05/94/276410594.db2.gz OFJWMEBNPSKIID-ZDUSSCGKSA-N -1 3 293.323 1.580 20 5 CDBDHM Cc1conc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576300246 317114039 /nfs/dbraw/zinc/11/40/39/317114039.db2.gz NMPUOUJOIWKUOK-UHFFFAOYSA-N -1 3 291.219 1.294 20 5 CDBDHM COC(=O)Cn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C ZINC000192554286 533831343 /nfs/dbraw/zinc/83/13/43/533831343.db2.gz JBINAHIFVVTUEJ-UHFFFAOYSA-N -1 3 297.296 1.473 20 5 CDBDHM Cc1nonc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731461243 575050615 /nfs/dbraw/zinc/05/06/15/575050615.db2.gz PFMBSKVFPBYDJW-UHFFFAOYSA-N -1 3 266.188 1.678 20 5 CDBDHM CC(C)[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772989205 575772919 /nfs/dbraw/zinc/77/29/19/575772919.db2.gz KVEBOEHEMDDTGU-LBPRGKRZSA-N -1 3 295.339 1.616 20 5 CDBDHM O=C([O-])CC1(NCc2ccccc2[N+](=O)[O-])CC1 ZINC001601936394 1175075905 /nfs/dbraw/zinc/07/59/05/1175075905.db2.gz YGVWUNNNYDOXSZ-UHFFFAOYSA-N -1 3 250.254 1.692 20 5 CDBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC000820728586 606424361 /nfs/dbraw/zinc/42/43/61/606424361.db2.gz XIWUBLLHCSZSCD-SFYZADRCSA-N -1 3 289.299 1.405 20 5 CDBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC000820728586 606424362 /nfs/dbraw/zinc/42/43/62/606424362.db2.gz XIWUBLLHCSZSCD-SFYZADRCSA-N -1 3 289.299 1.405 20 5 CDBDHM C[C@]1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOC1 ZINC000824837635 607905302 /nfs/dbraw/zinc/90/53/02/607905302.db2.gz ICLXGMBQQXSNCQ-LBPRGKRZSA-N -1 3 290.283 1.366 20 5 CDBDHM C[C@]1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOC1 ZINC000824837635 607905303 /nfs/dbraw/zinc/90/53/03/607905303.db2.gz ICLXGMBQQXSNCQ-LBPRGKRZSA-N -1 3 290.283 1.366 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000211452447 630835194 /nfs/dbraw/zinc/83/51/94/630835194.db2.gz RAOHHIQONNOJCW-SNVBAGLBSA-N -1 3 291.307 1.942 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573091 677967746 /nfs/dbraw/zinc/96/77/46/677967746.db2.gz RXLXWTBYDKBION-LJWDBELGSA-N -1 3 278.308 1.503 20 5 CDBDHM COc1c(C(=O)[N-]c2nonc2C)cccc1[N+](=O)[O-] ZINC000796626488 679010245 /nfs/dbraw/zinc/01/02/45/679010245.db2.gz SXVJWOVDJKPDGB-UHFFFAOYSA-N -1 3 278.224 1.547 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805604906 679029391 /nfs/dbraw/zinc/02/93/91/679029391.db2.gz CGZKEVDZILUXLQ-MRVPVSSYSA-N -1 3 276.252 1.939 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805604906 679029397 /nfs/dbraw/zinc/02/93/97/679029397.db2.gz CGZKEVDZILUXLQ-MRVPVSSYSA-N -1 3 276.252 1.939 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@H]2C[C@@H]2C1 ZINC001607083176 1164070213 /nfs/dbraw/zinc/07/02/13/1164070213.db2.gz ZSYLOLSKSWAIOE-PSASIEDQSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@H]2C[C@@H]2C1 ZINC001607083176 1164070222 /nfs/dbraw/zinc/07/02/22/1164070222.db2.gz ZSYLOLSKSWAIOE-PSASIEDQSA-N -1 3 286.295 1.621 20 5 CDBDHM C[C@H](C[C@H](C)O)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609128594 1164783748 /nfs/dbraw/zinc/78/37/48/1164783748.db2.gz QBAJSEGFEQXLLZ-SFYZADRCSA-N -1 3 292.299 1.346 20 5 CDBDHM COC(C)(C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609307862 1164887907 /nfs/dbraw/zinc/88/79/07/1164887907.db2.gz SZXHTZLMTNHGDK-UHFFFAOYSA-N -1 3 293.287 1.007 20 5 CDBDHM COC(C)(C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609307862 1164887914 /nfs/dbraw/zinc/88/79/14/1164887914.db2.gz SZXHTZLMTNHGDK-UHFFFAOYSA-N -1 3 293.287 1.007 20 5 CDBDHM CC1(C)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590106058 1173259931 /nfs/dbraw/zinc/25/99/31/1173259931.db2.gz MUSQQXDILZKJQH-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CC1(C)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590106058 1173259941 /nfs/dbraw/zinc/25/99/41/1173259941.db2.gz MUSQQXDILZKJQH-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@H]1CCN1c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590276384 1173336844 /nfs/dbraw/zinc/33/68/44/1173336844.db2.gz KYKJVBVUGLNXBF-LURJTMIESA-N -1 3 278.247 1.513 20 5 CDBDHM C[C@H]1CCN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590276384 1173336851 /nfs/dbraw/zinc/33/68/51/1173336851.db2.gz KYKJVBVUGLNXBF-LURJTMIESA-N -1 3 278.247 1.513 20 5 CDBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001590312364 1173346822 /nfs/dbraw/zinc/34/68/22/1173346822.db2.gz IMINLVGGHSKFOZ-DTORHVGOSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001590312364 1173346827 /nfs/dbraw/zinc/34/68/27/1173346827.db2.gz IMINLVGGHSKFOZ-DTORHVGOSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H](O)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591770491 1173697547 /nfs/dbraw/zinc/69/75/47/1173697547.db2.gz GUZXWOBQVVKBCO-LURJTMIESA-N -1 3 296.262 1.097 20 5 CDBDHM C[C@H](O)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591770491 1173697551 /nfs/dbraw/zinc/69/75/51/1173697551.db2.gz GUZXWOBQVVKBCO-LURJTMIESA-N -1 3 296.262 1.097 20 5 CDBDHM Cc1cc(N2CC(C)(F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591998846 1173767761 /nfs/dbraw/zinc/76/77/61/1173767761.db2.gz ILNMXNHYIQBBOG-UHFFFAOYSA-N -1 3 292.274 1.632 20 5 CDBDHM Cc1cc(N2CC(C)(F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591998846 1173767765 /nfs/dbraw/zinc/76/77/65/1173767765.db2.gz ILNMXNHYIQBBOG-UHFFFAOYSA-N -1 3 292.274 1.632 20 5 CDBDHM Cc1cc(N2CC3(CC3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001517 1173769626 /nfs/dbraw/zinc/76/96/26/1173769626.db2.gz ZPOGNOYJTZTURU-UHFFFAOYSA-N -1 3 286.295 1.684 20 5 CDBDHM Cc1cc(N2CC3(CC3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001517 1173769629 /nfs/dbraw/zinc/76/96/29/1173769629.db2.gz ZPOGNOYJTZTURU-UHFFFAOYSA-N -1 3 286.295 1.684 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC1CC(F)(F)C1 ZINC001593470002 1174078926 /nfs/dbraw/zinc/07/89/26/1174078926.db2.gz BWNYUMLEIQQVGN-UHFFFAOYSA-N -1 3 297.225 1.380 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC1CC(F)(F)C1 ZINC001593470002 1174078934 /nfs/dbraw/zinc/07/89/34/1174078934.db2.gz BWNYUMLEIQQVGN-UHFFFAOYSA-N -1 3 297.225 1.380 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC=C(F)C1 ZINC001593469771 1174079424 /nfs/dbraw/zinc/07/94/24/1174079424.db2.gz GLAPSWDXRFHECB-UHFFFAOYSA-N -1 3 291.246 1.233 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC=C(F)C1 ZINC001593469771 1174079432 /nfs/dbraw/zinc/07/94/32/1174079432.db2.gz GLAPSWDXRFHECB-UHFFFAOYSA-N -1 3 291.246 1.233 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSCCO ZINC001593468692 1174080291 /nfs/dbraw/zinc/08/02/91/1174080291.db2.gz RINJQGIGTJFKOU-UHFFFAOYSA-N -1 3 281.297 1.000 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSCCO ZINC001593468692 1174080293 /nfs/dbraw/zinc/08/02/93/1174080293.db2.gz RINJQGIGTJFKOU-UHFFFAOYSA-N -1 3 281.297 1.000 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC12CCC2 ZINC001593472281 1174083067 /nfs/dbraw/zinc/08/30/67/1174083067.db2.gz XRFNAZZVJYUPEE-SECBINFHSA-N -1 3 287.283 1.524 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC12CCC2 ZINC001593472281 1174083070 /nfs/dbraw/zinc/08/30/70/1174083070.db2.gz XRFNAZZVJYUPEE-SECBINFHSA-N -1 3 287.283 1.524 20 5 CDBDHM CCCC(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107010213 917795426 /nfs/dbraw/zinc/79/54/26/917795426.db2.gz VUJFCUHJORBPQB-ARJAWSKDSA-N -1 3 294.311 1.580 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(F)ccc1[O-] ZINC001153468301 937446814 /nfs/dbraw/zinc/44/68/14/937446814.db2.gz NPVLTGCFLYFOQP-UHFFFAOYSA-N -1 3 294.242 1.583 20 5 CDBDHM O=c1[n-]ccc(NCCNc2ccccn2)c1[N+](=O)[O-] ZINC001162004522 938951774 /nfs/dbraw/zinc/95/17/74/938951774.db2.gz RRZGUYIEGAHCKR-UHFFFAOYSA-N -1 3 275.268 1.614 20 5 CDBDHM Cc1ccnc(Nc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC001162298532 938973606 /nfs/dbraw/zinc/97/36/06/938973606.db2.gz RTZQPTGKPQXCEC-MRVPVSSYSA-N -1 3 261.241 1.108 20 5 CDBDHM Cc1nc(Nc2ccc(N)c([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001209934758 940652871 /nfs/dbraw/zinc/65/28/71/940652871.db2.gz PCZINEHBUULDSM-UHFFFAOYSA-N -1 3 261.241 1.725 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCCC2(C1)OCCO2 ZINC001225663652 941895755 /nfs/dbraw/zinc/89/57/55/941895755.db2.gz FEMDIWQPOWWNOR-VIFPVBQESA-N -1 3 296.279 1.760 20 5 CDBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cncnc1 ZINC001225666165 941897152 /nfs/dbraw/zinc/89/71/52/941897152.db2.gz HHWBMMLCNWLGHC-SSDOTTSWSA-N -1 3 262.225 1.625 20 5 CDBDHM CO[C@@H](C)CCOc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685320 942357379 /nfs/dbraw/zinc/35/73/79/942357379.db2.gz FXXPOCNSIASUPQ-ZETCQYMHSA-N -1 3 256.258 1.808 20 5 CDBDHM C[C@@H]1OCC[C@@]1(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594640777 986790700 /nfs/dbraw/zinc/79/07/00/986790700.db2.gz UCZONUOTHWOQEA-LKFCYVNXSA-N -1 3 294.307 1.950 20 5 CDBDHM COc1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000092939761 342269085 /nfs/dbraw/zinc/26/90/85/342269085.db2.gz SSARDNNGKZVAED-GXSJLCMTSA-N -1 3 294.307 1.898 20 5 CDBDHM O=[N+]([O-])c1cc([O-])ccc1-n1cc(CN2CCCC2)nn1 ZINC000594651591 342932991 /nfs/dbraw/zinc/93/29/91/342932991.db2.gz DJGUSARBQPBDMD-UHFFFAOYSA-N -1 3 289.295 1.477 20 5 CDBDHM CN1CCN(c2ccccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC000565718123 365701878 /nfs/dbraw/zinc/70/18/78/365701878.db2.gz HAQYRWPPERPYCV-JTQLQIEISA-N -1 3 279.296 1.047 20 5 CDBDHM CC(C)(C)NC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596109538 343229308 /nfs/dbraw/zinc/22/93/08/343229308.db2.gz CSLFBCABAVBALX-UHFFFAOYSA-N -1 3 282.300 1.412 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000596112219 343230416 /nfs/dbraw/zinc/23/04/16/343230416.db2.gz JYPCCYSNAUNGMM-JTQLQIEISA-N -1 3 289.295 1.733 20 5 CDBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC000596179600 343249845 /nfs/dbraw/zinc/24/98/45/343249845.db2.gz PWLNHYUXUKVIRX-MRVPVSSYSA-N -1 3 281.190 1.421 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000596241256 343284553 /nfs/dbraw/zinc/28/45/53/343284553.db2.gz AYWKUZGJTWILQX-SECBINFHSA-N -1 3 275.268 1.343 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(C2CCC2)CC1 ZINC000611271755 346731581 /nfs/dbraw/zinc/73/15/81/346731581.db2.gz VMFKKDUJKFRXGX-UHFFFAOYSA-N -1 3 291.351 1.971 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000081183534 351132232 /nfs/dbraw/zinc/13/22/32/351132232.db2.gz ZHRZPICNCVRYGP-UHFFFAOYSA-N -1 3 295.320 1.710 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC000092924432 351300717 /nfs/dbraw/zinc/30/07/17/351300717.db2.gz WVEZNDCJKLZNFL-SKDRFNHKSA-N -1 3 294.307 1.898 20 5 CDBDHM CN1CCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160343690 363323276 /nfs/dbraw/zinc/32/32/76/363323276.db2.gz XESYSONKBCJMQN-SNVBAGLBSA-N -1 3 279.296 1.124 20 5 CDBDHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc([N+](=O)[O-])c1 ZINC000191029497 358108969 /nfs/dbraw/zinc/10/89/69/358108969.db2.gz RNDAWLJXFIZQOV-VIFPVBQESA-N -1 3 281.268 1.684 20 5 CDBDHM Nc1c(C(=O)Nc2ncccc2[O-])cccc1[N+](=O)[O-] ZINC000176524689 360377695 /nfs/dbraw/zinc/37/76/95/360377695.db2.gz KODGABDIFVBYHB-UHFFFAOYSA-N -1 3 274.236 1.530 20 5 CDBDHM CCO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000183860641 189369693 /nfs/dbraw/zinc/36/96/93/189369693.db2.gz NVLZLEKPUZXABA-UHFFFAOYSA-N -1 3 255.230 1.676 20 5 CDBDHM CCCc1n[nH]c(C(=O)[N-]OC2CCCC2)c1[N+](=O)[O-] ZINC000272131099 367125897 /nfs/dbraw/zinc/12/58/97/367125897.db2.gz SEJMYPOQBIUXET-UHFFFAOYSA-N -1 3 282.300 1.874 20 5 CDBDHM O=[N+]([O-])c1cnccc1NC([O-])=NOC1CCCC1 ZINC000272710908 367801705 /nfs/dbraw/zinc/80/17/05/367801705.db2.gz KNUALDFGKJLDBK-UHFFFAOYSA-N -1 3 266.257 1.986 20 5 CDBDHM O=C([N-]OC1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000272710908 367801707 /nfs/dbraw/zinc/80/17/07/367801707.db2.gz KNUALDFGKJLDBK-UHFFFAOYSA-N -1 3 266.257 1.986 20 5 CDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc2nn[n-]c21 ZINC000163559500 371270899 /nfs/dbraw/zinc/27/08/99/371270899.db2.gz XUAKCJOEHGRBAR-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc2[n-]nnc21 ZINC000163559500 371270902 /nfs/dbraw/zinc/27/09/02/371270902.db2.gz XUAKCJOEHGRBAR-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc2n[n-]nc21 ZINC000163559500 371270905 /nfs/dbraw/zinc/27/09/05/371270905.db2.gz XUAKCJOEHGRBAR-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000532042795 374525273 /nfs/dbraw/zinc/52/52/73/374525273.db2.gz YROGQWIAPPWPRA-SNVBAGLBSA-N -1 3 276.296 1.827 20 5 CDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCF)c1[N+](=O)[O-] ZINC000280819531 375024415 /nfs/dbraw/zinc/02/44/15/375024415.db2.gz UUNGCPWYHIDTNF-UHFFFAOYSA-N -1 3 276.289 1.459 20 5 CDBDHM CCN(CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000428008682 247228853 /nfs/dbraw/zinc/22/88/53/247228853.db2.gz FDYZHZLMFJOJOK-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM C[C@@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)N(C)C ZINC000443431731 250029380 /nfs/dbraw/zinc/02/93/80/250029380.db2.gz WEKOTVVFZINPMM-VIFPVBQESA-N -1 3 291.311 1.429 20 5 CDBDHM CCCNCCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420218508 392907127 /nfs/dbraw/zinc/90/71/27/392907127.db2.gz PDJPSZYGSDBVDY-UHFFFAOYSA-N -1 3 291.311 1.478 20 5 CDBDHM CCc1nnc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000180689785 140017092 /nfs/dbraw/zinc/01/70/92/140017092.db2.gz SECSUTYXMADAQE-UHFFFAOYSA-N -1 3 293.308 1.843 20 5 CDBDHM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228204439 140193582 /nfs/dbraw/zinc/19/35/82/140193582.db2.gz NWKKEIHJZHEPNN-RKDXNWHRSA-N -1 3 288.325 1.033 20 5 CDBDHM C[C@H]1[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCN1C ZINC000346071756 153043476 /nfs/dbraw/zinc/04/34/76/153043476.db2.gz NRYCFCOBZGXCLQ-TVQRCGJNSA-N -1 3 293.323 1.513 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1 ZINC000349952006 154284154 /nfs/dbraw/zinc/28/41/54/154284154.db2.gz OKQUFSZFUQLPKQ-UHFFFAOYSA-N -1 3 262.225 1.286 20 5 CDBDHM CSc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[n-]1 ZINC000354117677 156276566 /nfs/dbraw/zinc/27/65/66/156276566.db2.gz HGEJYLKBBHBLKN-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000354117677 156276568 /nfs/dbraw/zinc/27/65/68/156276568.db2.gz HGEJYLKBBHBLKN-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1nc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n[n-]1 ZINC000354117677 156276570 /nfs/dbraw/zinc/27/65/70/156276570.db2.gz HGEJYLKBBHBLKN-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM Cc1c(CN2CCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000035649612 172325921 /nfs/dbraw/zinc/32/59/21/172325921.db2.gz BHBIWGZIPYWSSW-GFCCVEGCSA-N -1 3 264.281 1.952 20 5 CDBDHM COc1cc(CN[C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000189338853 270276669 /nfs/dbraw/zinc/27/66/69/270276669.db2.gz DIWSEUCUDKLDRU-OLZOCXBDSA-N -1 3 296.323 1.558 20 5 CDBDHM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000436719549 300193582 /nfs/dbraw/zinc/19/35/82/300193582.db2.gz AHZQEBRASVKFEP-IUCAKERBSA-N -1 3 279.296 1.123 20 5 CDBDHM CC(C)[C@@H](CN(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770545374 575464169 /nfs/dbraw/zinc/46/41/69/575464169.db2.gz MIWLMLPIWCOXAC-SNVBAGLBSA-N -1 3 296.327 1.011 20 5 CDBDHM O=C([N-]OCC(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000760145306 576461065 /nfs/dbraw/zinc/46/10/65/576461065.db2.gz UQVIIWKKUQYETH-UHFFFAOYSA-N -1 3 290.178 1.250 20 5 CDBDHM CC[C@H](C(=O)[O-])N(C)Cc1cccnc1[N+](=O)[O-] ZINC000903407964 625984482 /nfs/dbraw/zinc/98/44/82/625984482.db2.gz BQCXLNWFJHVDAT-SECBINFHSA-N -1 3 253.258 1.285 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CF ZINC000885414304 679833520 /nfs/dbraw/zinc/83/35/20/679833520.db2.gz VYIIZKWDOSYZKD-ZETCQYMHSA-N -1 3 292.288 1.240 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CSCCO ZINC001607083434 1164072057 /nfs/dbraw/zinc/07/20/57/1164072057.db2.gz FXHNOFZPWFEPNV-UHFFFAOYSA-N -1 3 281.297 1.000 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CSCCO ZINC001607083434 1164072063 /nfs/dbraw/zinc/07/20/63/1164072063.db2.gz FXHNOFZPWFEPNV-UHFFFAOYSA-N -1 3 281.297 1.000 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cccnn1 ZINC001607084775 1164074945 /nfs/dbraw/zinc/07/49/45/1164074945.db2.gz XWVZTHOXXPBHFP-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cccnn1 ZINC001607084775 1164074950 /nfs/dbraw/zinc/07/49/50/1164074950.db2.gz XWVZTHOXXPBHFP-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM Cc1noc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001608028224 1164383183 /nfs/dbraw/zinc/38/31/83/1164383183.db2.gz VSJZMQULUGXRSJ-HOTUBEGUSA-N -1 3 295.295 1.576 20 5 CDBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001590312838 1173346592 /nfs/dbraw/zinc/34/65/92/1173346592.db2.gz KULYHSYUZVRFMG-DTORHVGOSA-N -1 3 288.311 1.867 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]2C[C@@H]21 ZINC001593469130 1174080428 /nfs/dbraw/zinc/08/04/28/1174080428.db2.gz XLVWCXFQMSQSPH-KCJUWKMLSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]2C[C@@H]21 ZINC001593469130 1174080435 /nfs/dbraw/zinc/08/04/35/1174080435.db2.gz XLVWCXFQMSQSPH-KCJUWKMLSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H](CF)C1 ZINC001593481645 1174083465 /nfs/dbraw/zinc/08/34/65/1174083465.db2.gz TWIRZKIPDUUJJM-MRVPVSSYSA-N -1 3 292.274 1.571 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H](CF)C1 ZINC001593481645 1174083472 /nfs/dbraw/zinc/08/34/72/1174083472.db2.gz TWIRZKIPDUUJJM-MRVPVSSYSA-N -1 3 292.274 1.571 20 5 CDBDHM C[C@H](CO)[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603566782 1175566099 /nfs/dbraw/zinc/56/60/99/1175566099.db2.gz VSCPHDQFWQWJMQ-SFYZADRCSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@H](CO)[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603566782 1175566102 /nfs/dbraw/zinc/56/61/02/1175566102.db2.gz VSCPHDQFWQWJMQ-SFYZADRCSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H](O)C[C@@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603696050 1175601214 /nfs/dbraw/zinc/60/12/14/1175601214.db2.gz PFOXZUFHSPFWCM-HTQZYQBOSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](O)C[C@@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603696050 1175601215 /nfs/dbraw/zinc/60/12/15/1175601215.db2.gz PFOXZUFHSPFWCM-HTQZYQBOSA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)OC ZINC001604040176 1175730072 /nfs/dbraw/zinc/73/00/72/1175730072.db2.gz QGPDPBPYTGHDMC-SECBINFHSA-N -1 3 292.299 1.612 20 5 CDBDHM CCOCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609240516 1164860225 /nfs/dbraw/zinc/86/02/25/1164860225.db2.gz LXOBVPBWDRZEGN-UHFFFAOYSA-N -1 3 292.299 1.613 20 5 CDBDHM CCOCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609240516 1164860230 /nfs/dbraw/zinc/86/02/30/1164860230.db2.gz LXOBVPBWDRZEGN-UHFFFAOYSA-N -1 3 292.299 1.613 20 5 CDBDHM CC(C)CCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093501377 909918892 /nfs/dbraw/zinc/91/88/92/909918892.db2.gz VSDOOKPMGPWKAY-UHFFFAOYSA-N -1 3 296.327 1.660 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(CO)nc2)c1 ZINC001199819453 925856140 /nfs/dbraw/zinc/85/61/40/925856140.db2.gz RTOHYIPIPDFAPG-UHFFFAOYSA-N -1 3 261.237 1.931 20 5 CDBDHM COC(=O)c1ncc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199814420 925876696 /nfs/dbraw/zinc/87/66/96/925876696.db2.gz JPKKAFAGDDDOQY-UHFFFAOYSA-N -1 3 290.235 1.621 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001156277221 938344777 /nfs/dbraw/zinc/34/47/77/938344777.db2.gz FMOQZIBPZTXQFO-ZETCQYMHSA-N -1 3 297.702 1.567 20 5 CDBDHM Cc1ncc(Nc2nccc3cc([N+](=O)[O-])ccc32)c(=O)[n-]1 ZINC001162305604 938977155 /nfs/dbraw/zinc/97/71/55/938977155.db2.gz JJRYYFYXCPYORH-LBPRGKRZSA-N -1 3 297.274 1.953 20 5 CDBDHM O=[N+]([O-])c1c([O-])cccc1O[C@H]1CN2CCC1CC2 ZINC001225619552 941889111 /nfs/dbraw/zinc/88/91/11/941889111.db2.gz CJYMELCISVQXQX-LBPRGKRZSA-N -1 3 264.281 1.773 20 5 CDBDHM COC[C@@H](C)OC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664724 941896798 /nfs/dbraw/zinc/89/67/98/941896798.db2.gz RZTCAFRZRDIMFU-RKDXNWHRSA-N -1 3 286.284 1.514 20 5 CDBDHM C[C@H]1CC[C@@H](COc2ncc([N+](=O)[O-])c3nc[n-]c32)O1 ZINC001227692728 942205284 /nfs/dbraw/zinc/20/52/84/942205284.db2.gz BPCKQRPAMCAKQX-YUMQZZPRSA-N -1 3 278.268 1.812 20 5 CDBDHM Cc1[n-]c(=O)cc(OCCOC(C)C)c1[N+](=O)[O-] ZINC001228685315 942356831 /nfs/dbraw/zinc/35/68/31/942356831.db2.gz FVGQMABFEYOTEQ-UHFFFAOYSA-N -1 3 256.258 1.808 20 5 CDBDHM Cc1[n-]c(=O)cc(OC(=O)CCC[C@H](C)O)c1[N+](=O)[O-] ZINC001228689512 942358536 /nfs/dbraw/zinc/35/85/36/942358536.db2.gz TYLPZINOWGLISG-ZETCQYMHSA-N -1 3 284.268 1.460 20 5 CDBDHM C[S@](=O)[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001307225692 956382625 /nfs/dbraw/zinc/38/26/25/956382625.db2.gz IXKLFVUAWQEJSI-RHLNDXSLSA-N -1 3 285.325 1.407 20 5 CDBDHM CN1CCCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001336201070 960246268 /nfs/dbraw/zinc/24/62/68/960246268.db2.gz JWRGWJWNTDBPJM-NSHDSACASA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1nc([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC001350473663 966676396 /nfs/dbraw/zinc/67/63/96/966676396.db2.gz GHUVVKIBTWNMRY-RXMQYKEDSA-N -1 3 265.229 1.560 20 5 CDBDHM CCCC(=O)NCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100438418 968358319 /nfs/dbraw/zinc/35/83/19/968358319.db2.gz HHDOISUXEADCRM-UHFFFAOYSA-N -1 3 296.327 1.438 20 5 CDBDHM CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC001590762594 990564198 /nfs/dbraw/zinc/56/41/98/990564198.db2.gz ANVXNDQTJQDOTL-UHFFFAOYSA-N -1 3 293.279 1.936 20 5 CDBDHM COCCSc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001605121727 1163460198 /nfs/dbraw/zinc/46/01/98/1163460198.db2.gz YMWDKDQDAUVCAE-UHFFFAOYSA-N -1 3 296.312 1.096 20 5 CDBDHM COCCSc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001605121727 1163460202 /nfs/dbraw/zinc/46/02/02/1163460202.db2.gz YMWDKDQDAUVCAE-UHFFFAOYSA-N -1 3 296.312 1.096 20 5 CDBDHM COc1c(O)ccc(CN(CC(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC001599345187 997991164 /nfs/dbraw/zinc/99/11/64/997991164.db2.gz RMSJUBPBLDMXBU-UHFFFAOYSA-N -1 3 298.295 1.604 20 5 CDBDHM CSCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605374297 1163539630 /nfs/dbraw/zinc/53/96/30/1163539630.db2.gz AUUIYNBQQKSTDS-UHFFFAOYSA-N -1 3 294.340 1.858 20 5 CDBDHM CSCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605374297 1163539638 /nfs/dbraw/zinc/53/96/38/1163539638.db2.gz AUUIYNBQQKSTDS-UHFFFAOYSA-N -1 3 294.340 1.858 20 5 CDBDHM Cc1c(CN[C@H]2CCO[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600013588 1174340111 /nfs/dbraw/zinc/34/01/11/1174340111.db2.gz SETKHRXNKXEFRE-CMPLNLGQSA-N -1 3 280.280 1.235 20 5 CDBDHM Cc1cc(N2CCCN(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038689 365577768 /nfs/dbraw/zinc/57/77/68/365577768.db2.gz UHMDABOQGJMAKK-UHFFFAOYSA-N -1 3 293.323 1.743 20 5 CDBDHM O=c1[n-]ccc(NCCO[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596242277 343285095 /nfs/dbraw/zinc/28/50/95/343285095.db2.gz UCOORCRRGDFEEQ-SNVBAGLBSA-N -1 3 283.284 1.651 20 5 CDBDHM CC[C@H](C)C[C@H](CO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596288243 343288754 /nfs/dbraw/zinc/28/87/54/343288754.db2.gz FKPPGQSCNARLFI-DTWKUNHWSA-N -1 3 269.301 1.904 20 5 CDBDHM CCc1cnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596196959 343262727 /nfs/dbraw/zinc/26/27/27/343262727.db2.gz SOPMNDFKKFXDSD-UHFFFAOYSA-N -1 3 264.241 1.858 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](CCO)CC2)c1[N+](=O)[O-] ZINC000596278485 343296397 /nfs/dbraw/zinc/29/63/97/343296397.db2.gz NOXXFUPPUQKVNL-JTQLQIEISA-N -1 3 281.312 1.684 20 5 CDBDHM C[C@@H]1C[C@H](CO)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596278967 343296787 /nfs/dbraw/zinc/29/67/87/343296787.db2.gz MTLYFEMEIVDTNH-BDAKNGLRSA-N -1 3 267.285 1.150 20 5 CDBDHM O=C([O-])C1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000596657618 343364486 /nfs/dbraw/zinc/36/44/86/343364486.db2.gz NDZVAWBPOXKHLD-UHFFFAOYSA-N -1 3 264.281 1.939 20 5 CDBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[O-] ZINC000536134350 282301750 /nfs/dbraw/zinc/30/17/50/282301750.db2.gz CHCHFSSDHRLQGK-UHFFFAOYSA-N -1 3 261.237 1.891 20 5 CDBDHM CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186275681 357633345 /nfs/dbraw/zinc/63/33/45/357633345.db2.gz NMWIENRDJHCAFW-SNVBAGLBSA-N -1 3 279.296 1.124 20 5 CDBDHM COc1ccc(CN2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000062134347 359960587 /nfs/dbraw/zinc/96/05/87/359960587.db2.gz NPDWBWNMRKIUEO-SNVBAGLBSA-N -1 3 280.280 1.510 20 5 CDBDHM CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000130471073 360637598 /nfs/dbraw/zinc/63/75/98/360637598.db2.gz HHWBDXHDXMKNQQ-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM CCN(CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C ZINC000038018048 364287627 /nfs/dbraw/zinc/28/76/27/364287627.db2.gz WVVJTVHDRJTSFK-UHFFFAOYSA-N -1 3 252.270 1.810 20 5 CDBDHM C[C@@H](CN(C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000042705538 364614020 /nfs/dbraw/zinc/61/40/20/364614020.db2.gz SNHTXWQODZVFFA-VIFPVBQESA-N -1 3 252.270 1.747 20 5 CDBDHM CN1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164032163 365335615 /nfs/dbraw/zinc/33/56/15/365335615.db2.gz KIGPRFJNWYAOSH-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cnns2)c1[N+](=O)[O-] ZINC000276756169 374746508 /nfs/dbraw/zinc/74/65/08/374746508.db2.gz WOWQETDNHJGOOB-UHFFFAOYSA-N -1 3 282.285 1.545 20 5 CDBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354358601 375701102 /nfs/dbraw/zinc/70/11/02/375701102.db2.gz LNDNSZLYOXXFJJ-UHFFFAOYSA-N -1 3 280.215 1.093 20 5 CDBDHM O=C(Nc1cnn(C(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445184847 250210922 /nfs/dbraw/zinc/21/09/22/250210922.db2.gz PUDQFTQHAIIRQR-UHFFFAOYSA-N -1 3 299.193 1.539 20 5 CDBDHM COc1ccc(C[N-]C(=O)C(C)(F)F)cc1[N+](=O)[O-] ZINC000288524069 197102373 /nfs/dbraw/zinc/10/23/73/197102373.db2.gz JSJGMLYVGGZCEG-UHFFFAOYSA-N -1 3 274.223 1.875 20 5 CDBDHM CCc1nc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n[nH]1 ZINC000479186806 390798951 /nfs/dbraw/zinc/79/89/51/390798951.db2.gz FDSDSJXNWIXVPY-UHFFFAOYSA-N -1 3 293.287 1.374 20 5 CDBDHM CCOc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)on1 ZINC000410552390 390959694 /nfs/dbraw/zinc/95/96/94/390959694.db2.gz AFZVDPUDDNXVEI-UHFFFAOYSA-N -1 3 292.251 1.937 20 5 CDBDHM O=C(Nc1cnns1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000189585753 270279231 /nfs/dbraw/zinc/27/92/31/270279231.db2.gz FFQZUZRPQWVRFT-UHFFFAOYSA-N -1 3 290.264 1.575 20 5 CDBDHM CC[C@@H](N)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420255070 280163728 /nfs/dbraw/zinc/16/37/28/280163728.db2.gz BCLRBKRPMONJJA-SECBINFHSA-N -1 3 277.284 1.216 20 5 CDBDHM COCC[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000101577866 292674662 /nfs/dbraw/zinc/67/46/62/292674662.db2.gz BHJWVWKLFKOAEI-VIFPVBQESA-N -1 3 288.325 1.298 20 5 CDBDHM O=[N+]([O-])c1cnn(CC[S@](=O)c2ccc([O-])cc2)c1 ZINC000158816240 289317989 /nfs/dbraw/zinc/31/79/89/289317989.db2.gz LGJJEQGKGAIIME-LJQANCHMSA-N -1 3 281.293 1.305 20 5 CDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2n[n-]nc2c1 ZINC000067329961 526726207 /nfs/dbraw/zinc/72/62/07/526726207.db2.gz KGFRBLQFVDUBIP-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM Cn1ncnc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000151133032 527637994 /nfs/dbraw/zinc/63/79/94/527637994.db2.gz ZOFHPFLZHUEWOY-UHFFFAOYSA-N -1 3 253.243 1.037 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@H]2CCC[C@@H]21 ZINC000738357128 574515536 /nfs/dbraw/zinc/51/55/36/574515536.db2.gz CARKKBRFMPXVIC-ZJUUUORDSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@H]2CCC[C@@H]21 ZINC000738357128 574515537 /nfs/dbraw/zinc/51/55/37/574515537.db2.gz CARKKBRFMPXVIC-ZJUUUORDSA-N -1 3 286.295 1.764 20 5 CDBDHM CC(C)(O)CC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000774900400 575249850 /nfs/dbraw/zinc/24/98/50/575249850.db2.gz WIHPOYDBCWCNHD-UHFFFAOYSA-N -1 3 294.354 1.096 20 5 CDBDHM O=[N+]([O-])c1cc(N2CCCC2)ccc1-c1nnn[n-]1 ZINC000823635476 606644596 /nfs/dbraw/zinc/64/45/96/606644596.db2.gz XNONJDZBSRYCFQ-UHFFFAOYSA-N -1 3 260.257 1.375 20 5 CDBDHM Cc1cn(Cc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822383738 607021843 /nfs/dbraw/zinc/02/18/43/607021843.db2.gz AXDXCLAGWWWKCO-UHFFFAOYSA-N -1 3 284.279 1.933 20 5 CDBDHM Cc1cn(Cc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822383738 607021845 /nfs/dbraw/zinc/02/18/45/607021845.db2.gz AXDXCLAGWWWKCO-UHFFFAOYSA-N -1 3 284.279 1.933 20 5 CDBDHM CC[C@@H]1COCCN1Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000891716437 617552740 /nfs/dbraw/zinc/55/27/40/617552740.db2.gz PXDWKFWSNCMIAR-LLVKDONJSA-N -1 3 296.323 1.920 20 5 CDBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cnn[n-]1 ZINC000805607062 685466601 /nfs/dbraw/zinc/46/66/01/685466601.db2.gz GDASWMLDOVNPEE-UHFFFAOYSA-N -1 3 282.643 1.723 20 5 CDBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1c[n-]nn1 ZINC000805607062 685466604 /nfs/dbraw/zinc/46/66/04/685466604.db2.gz GDASWMLDOVNPEE-UHFFFAOYSA-N -1 3 282.643 1.723 20 5 CDBDHM CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1(C)C ZINC000110921519 687079578 /nfs/dbraw/zinc/07/95/78/687079578.db2.gz ITUAXCCIHFBSKY-UHFFFAOYSA-N -1 3 293.323 1.823 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@H]2C[C@H]21 ZINC001607082802 1164070269 /nfs/dbraw/zinc/07/02/69/1164070269.db2.gz SYTYFSUBRANSCM-GZMMTYOYSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H]2C[C@H]21 ZINC001607082802 1164070277 /nfs/dbraw/zinc/07/02/77/1164070277.db2.gz SYTYFSUBRANSCM-GZMMTYOYSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](F)C1 ZINC001609602893 1165002122 /nfs/dbraw/zinc/00/21/22/1165002122.db2.gz NIJDBRXWIXMZKU-SSDOTTSWSA-N -1 3 278.247 1.323 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](F)C1 ZINC001609602893 1165002125 /nfs/dbraw/zinc/00/21/25/1165002125.db2.gz NIJDBRXWIXMZKU-SSDOTTSWSA-N -1 3 278.247 1.323 20 5 CDBDHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CO1 ZINC001590206032 1173291468 /nfs/dbraw/zinc/29/14/68/1173291468.db2.gz GTUFIXGYLZTZDO-IONNQARKSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CO1 ZINC001590206032 1173291473 /nfs/dbraw/zinc/29/14/73/1173291473.db2.gz GTUFIXGYLZTZDO-IONNQARKSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1cccc(OCc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001593483819 1174084396 /nfs/dbraw/zinc/08/43/96/1174084396.db2.gz KTCSXLZXOADKLC-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1cccc(OCc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001593483819 1174084406 /nfs/dbraw/zinc/08/44/06/1174084406.db2.gz KTCSXLZXOADKLC-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM CC(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603298709 1175534113 /nfs/dbraw/zinc/53/41/13/1175534113.db2.gz SYTJDHHDPBRMAJ-UHFFFAOYSA-N -1 3 262.273 1.843 20 5 CDBDHM CC(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603298709 1175534115 /nfs/dbraw/zinc/53/41/15/1175534115.db2.gz SYTJDHHDPBRMAJ-UHFFFAOYSA-N -1 3 262.273 1.843 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC2(CC2)C1 ZINC001607083403 1164071101 /nfs/dbraw/zinc/07/11/01/1164071101.db2.gz FDOQNQZWWQWMNB-UHFFFAOYSA-N -1 3 272.268 1.375 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC2(CC2)C1 ZINC001607083403 1164071109 /nfs/dbraw/zinc/07/11/09/1164071109.db2.gz FDOQNQZWWQWMNB-UHFFFAOYSA-N -1 3 272.268 1.375 20 5 CDBDHM CCC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001094098223 910333841 /nfs/dbraw/zinc/33/38/41/910333841.db2.gz XCVPXTPSGUCKJA-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM Cc1ncc(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)c(=O)[n-]1 ZINC001162299782 938974316 /nfs/dbraw/zinc/97/43/16/938974316.db2.gz CYJSJMXOEVALJX-QMMMGPOBSA-N -1 3 286.251 1.281 20 5 CDBDHM Cc1cccc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001164374142 939467596 /nfs/dbraw/zinc/46/75/96/939467596.db2.gz 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ZINC000596099030 343235404 /nfs/dbraw/zinc/23/54/04/343235404.db2.gz XFMXIVFELPRTEU-UHFFFAOYSA-N -1 3 289.295 1.733 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000596135826 343240272 /nfs/dbraw/zinc/24/02/72/343240272.db2.gz BBUKIRKBHNWXOV-IUCAKERBSA-N -1 3 267.285 1.658 20 5 CDBDHM Cc1ncsc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000355966444 282236910 /nfs/dbraw/zinc/23/69/10/282236910.db2.gz XJIHNTNFWZPRLS-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2C=C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000596149287 343244743 /nfs/dbraw/zinc/24/47/43/343244743.db2.gz LAXYIAQRBLMXNT-JGVFFNPUSA-N -1 3 251.242 1.044 20 5 CDBDHM CC(C)[C@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123185 343248928 /nfs/dbraw/zinc/24/89/28/343248928.db2.gz PMMQYEKFSYCMEW-LLVKDONJSA-N -1 3 255.274 1.514 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC2(CCC2)O1 ZINC000596290300 343289386 /nfs/dbraw/zinc/28/93/86/343289386.db2.gz AZNUAMXVHQLPGZ-VIFPVBQESA-N -1 3 279.296 1.843 20 5 CDBDHM CC(C)(C)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596217213 343269085 /nfs/dbraw/zinc/26/90/85/343269085.db2.gz PBQJWSSGUKGXDJ-SNVBAGLBSA-N -1 3 281.312 1.947 20 5 CDBDHM C[C@@H]1OCC[C@]12CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CCO2 ZINC000596221309 343270446 /nfs/dbraw/zinc/27/04/46/343270446.db2.gz FAGWSLNDDUYPTE-ZANVPECISA-N -1 3 295.295 1.080 20 5 CDBDHM CO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596253741 343275292 /nfs/dbraw/zinc/27/52/92/343275292.db2.gz DGVHUNOUFHBKHS-SCZZXKLOSA-N -1 3 267.285 1.557 20 5 CDBDHM C[C@@H]1[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCN1C ZINC000436980737 362246300 /nfs/dbraw/zinc/24/63/00/362246300.db2.gz OUBZNRLWJRQNHW-KOLCDFICSA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1ncc(CNCc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000344326164 362569833 /nfs/dbraw/zinc/56/98/33/362569833.db2.gz NLHLZSSPHDWMSP-UHFFFAOYSA-N -1 3 274.280 1.689 20 5 CDBDHM O=[N+]([O-])c1cnn(CCNCc2c(F)ccc([O-])c2F)c1 ZINC000293626617 362790517 /nfs/dbraw/zinc/79/05/17/362790517.db2.gz MXLPUVYFKNPTAB-UHFFFAOYSA-N -1 3 298.249 1.565 20 5 CDBDHM COc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000092939760 351301444 /nfs/dbraw/zinc/30/14/44/351301444.db2.gz SSARDNNGKZVAED-MWLCHTKSSA-N -1 3 294.307 1.898 20 5 CDBDHM CC(C)CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153357924 188077733 /nfs/dbraw/zinc/07/77/33/188077733.db2.gz HKKLRPAGKNYNRJ-UHFFFAOYSA-N -1 3 252.270 1.841 20 5 CDBDHM CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189789915 358040957 /nfs/dbraw/zinc/04/09/57/358040957.db2.gz CFFIXVJZNDHDHS-UHFFFAOYSA-N -1 3 272.326 1.900 20 5 CDBDHM CCCc1coc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000569936706 359268508 /nfs/dbraw/zinc/26/85/08/359268508.db2.gz CZNQCVXJLUHQHN-UHFFFAOYSA-N -1 3 279.256 1.521 20 5 CDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c([O-])cccc1Cl ZINC000569973055 359275821 /nfs/dbraw/zinc/27/58/21/359275821.db2.gz VLOZPEKKOZLTKY-UHFFFAOYSA-N -1 3 296.670 1.789 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000297261420 200129011 /nfs/dbraw/zinc/12/90/11/200129011.db2.gz RGBQLDVPDXDVQY-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ncccc1[O-] ZINC000572443768 360915540 /nfs/dbraw/zinc/91/55/40/360915540.db2.gz ARSFPAJMRHGKDI-UHFFFAOYSA-N -1 3 299.242 1.492 20 5 CDBDHM CCc1ncsc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000163590353 292843552 /nfs/dbraw/zinc/84/35/52/292843552.db2.gz KKZLJLRIKZGWGJ-UHFFFAOYSA-N -1 3 267.270 1.589 20 5 CDBDHM Cc1ccc(NC([O-])=NOC(C)(C)CO)cc1[N+](=O)[O-] ZINC000296221938 374712528 /nfs/dbraw/zinc/71/25/28/374712528.db2.gz OVJMJIYHFSWDAY-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1ccc(NC(=O)[N-]OC(C)(C)CO)cc1[N+](=O)[O-] ZINC000296221938 374712531 /nfs/dbraw/zinc/71/25/31/374712531.db2.gz OVJMJIYHFSWDAY-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM COc1ccc(C(=O)[N-]c2nc(C)n(C)n2)cc1[N+](=O)[O-] ZINC000293838674 375067253 /nfs/dbraw/zinc/06/72/53/375067253.db2.gz DINRYVYWPKLONP-UHFFFAOYSA-N -1 3 291.267 1.293 20 5 CDBDHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032473083 375956517 /nfs/dbraw/zinc/95/65/17/375956517.db2.gz WOONYAQKYBKTFB-RKDXNWHRSA-N -1 3 270.310 1.529 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]CCF)cc1[N+](=O)[O-] ZINC000435627600 248180018 /nfs/dbraw/zinc/18/00/18/248180018.db2.gz NEPXSVOLFLQXJN-UHFFFAOYSA-N -1 3 268.291 1.213 20 5 CDBDHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228204469 140193065 /nfs/dbraw/zinc/19/30/65/140193065.db2.gz NWKKEIHJZHEPNN-IUCAKERBSA-N -1 3 288.325 1.033 20 5 CDBDHM COc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[n-]1 ZINC000352636658 155317475 /nfs/dbraw/zinc/31/74/75/155317475.db2.gz IRULWGLOVVMORE-UHFFFAOYSA-N -1 3 295.230 1.042 20 5 CDBDHM COc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000352636658 155317476 /nfs/dbraw/zinc/31/74/76/155317476.db2.gz IRULWGLOVVMORE-UHFFFAOYSA-N -1 3 295.230 1.042 20 5 CDBDHM COc1n[n-]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000352636658 155317477 /nfs/dbraw/zinc/31/74/77/155317477.db2.gz IRULWGLOVVMORE-UHFFFAOYSA-N -1 3 295.230 1.042 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000284288327 196023166 /nfs/dbraw/zinc/02/31/66/196023166.db2.gz XFWZZCYOFIVGIN-UHFFFAOYSA-N -1 3 298.242 1.744 20 5 CDBDHM O=C([O-])[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000008380212 170334261 /nfs/dbraw/zinc/33/42/61/170334261.db2.gz FNSIIBACBHYGTC-LLVKDONJSA-N -1 3 250.254 1.644 20 5 CDBDHM CCn1cnnc1[N-]C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000285714109 196374949 /nfs/dbraw/zinc/37/49/49/196374949.db2.gz IBRGWGJTHQRLCV-UHFFFAOYSA-N -1 3 291.267 1.224 20 5 CDBDHM Cn1ncnc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000162986604 303099592 /nfs/dbraw/zinc/09/95/92/303099592.db2.gz NUHUSKULPRQVJB-UHFFFAOYSA-N -1 3 281.659 1.629 20 5 CDBDHM Cn1cc(CN2CCCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC001600951219 1174674216 /nfs/dbraw/zinc/67/42/16/1174674216.db2.gz FUPCQRACGGZORW-SNVBAGLBSA-N -1 3 282.300 1.158 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccoc2)c(-c2nnn[n-]2)c1 ZINC000738375352 574523342 /nfs/dbraw/zinc/52/33/42/574523342.db2.gz YVJCFYGJEIRJQM-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccoc2)c(-c2nn[n-]n2)c1 ZINC000738375352 574523343 /nfs/dbraw/zinc/52/33/43/574523343.db2.gz YVJCFYGJEIRJQM-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM Cc1cc(=O)[n-]c(Cn2cc([N+](=O)[O-])c(C3CC3)n2)n1 ZINC000767057083 576156500 /nfs/dbraw/zinc/15/65/00/576156500.db2.gz CULQEUQGWZLUNM-UHFFFAOYSA-N -1 3 275.268 1.521 20 5 CDBDHM O=C([N-]OCC(F)F)c1ccc([N+](=O)[O-])s1 ZINC000759336135 577169229 /nfs/dbraw/zinc/16/92/29/577169229.db2.gz WPDDDPCEMBGNSW-UHFFFAOYSA-N -1 3 252.198 1.583 20 5 CDBDHM C[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820248940 599100171 /nfs/dbraw/zinc/10/01/71/599100171.db2.gz PRKVOHZTBUZGIW-QMMMGPOBSA-N -1 3 292.299 1.205 20 5 CDBDHM C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820248940 599100173 /nfs/dbraw/zinc/10/01/73/599100173.db2.gz 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COc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1[O-] ZINC000549200353 289960539 /nfs/dbraw/zinc/96/05/39/289960539.db2.gz RCRNPCAIALJSNY-UHFFFAOYSA-N -1 3 278.224 1.284 20 5 CDBDHM C[C@@H](NC1CC1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000574450065 295001384 /nfs/dbraw/zinc/00/13/84/295001384.db2.gz CSWHALZHKSJVHZ-SSDOTTSWSA-N -1 3 265.269 1.379 20 5 CDBDHM Nc1c(C(=O)Nc2ncccc2[O-])cc(F)cc1[N+](=O)[O-] ZINC000180990511 323224892 /nfs/dbraw/zinc/22/48/92/323224892.db2.gz ZEUQEFBSBNHSMZ-UHFFFAOYSA-N -1 3 292.226 1.669 20 5 CDBDHM CC(C)[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232713796 535059383 /nfs/dbraw/zinc/05/93/83/535059383.db2.gz RFFBHJLCOJDXJA-JTQLQIEISA-N -1 3 253.258 1.222 20 5 CDBDHM CCCc1n[nH]c(C(=O)[N-]Oc2ccccc2)c1[N+](=O)[O-] ZINC000773466742 575813335 /nfs/dbraw/zinc/81/33/35/575813335.db2.gz LRNSRSHOYRRHAR-UHFFFAOYSA-N -1 3 290.279 1.994 20 5 CDBDHM O=C([N-]OC1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000773921062 575844559 /nfs/dbraw/zinc/84/45/59/575844559.db2.gz JOVVJOAQIJVKGD-UHFFFAOYSA-N -1 3 284.243 1.574 20 5 CDBDHM CSCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737183340 575897531 /nfs/dbraw/zinc/89/75/31/575897531.db2.gz YUQZQBZOGKOUKZ-UHFFFAOYSA-N -1 3 294.340 1.940 20 5 CDBDHM CSCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737183340 575897535 /nfs/dbraw/zinc/89/75/35/575897535.db2.gz YUQZQBZOGKOUKZ-UHFFFAOYSA-N -1 3 294.340 1.940 20 5 CDBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820623125 606423417 /nfs/dbraw/zinc/42/34/17/606423417.db2.gz FVXKOSZPHQGCBZ-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM CC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820623125 606423418 /nfs/dbraw/zinc/42/34/18/606423418.db2.gz FVXKOSZPHQGCBZ-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM C[C@H](O)C(C)(C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824677980 608098451 /nfs/dbraw/zinc/09/84/51/608098451.db2.gz JUTJJROHRHZBIX-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](O)C(C)(C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824677980 608098452 /nfs/dbraw/zinc/09/84/52/608098452.db2.gz JUTJJROHRHZBIX-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@](CCF)(NCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000901915437 618337169 /nfs/dbraw/zinc/33/71/69/618337169.db2.gz MSTLQQJLGLXMDC-JTQLQIEISA-N -1 3 276.289 1.949 20 5 CDBDHM COCCCO[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000805042652 695982462 /nfs/dbraw/zinc/98/24/62/695982462.db2.gz BCDUQAFBUVUVIC-UHFFFAOYSA-N -1 3 298.295 1.230 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605152418 1163469080 /nfs/dbraw/zinc/46/90/80/1163469080.db2.gz HXEDPDSBKDQTAD-PWSUYJOCSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC=C(F)C1 ZINC001607082757 1164071127 /nfs/dbraw/zinc/07/11/27/1164071127.db2.gz RTQXEJFTLVIMMV-UHFFFAOYSA-N -1 3 290.258 1.838 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC=C(F)C1 ZINC001607082757 1164071132 /nfs/dbraw/zinc/07/11/32/1164071132.db2.gz RTQXEJFTLVIMMV-UHFFFAOYSA-N -1 3 290.258 1.838 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@H](F)C1 ZINC001609602661 1165001592 /nfs/dbraw/zinc/00/15/92/1165001592.db2.gz BRIPVDABUZGXCW-QMMMGPOBSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@H](F)C1 ZINC001609602661 1165001596 /nfs/dbraw/zinc/00/15/96/1165001596.db2.gz BRIPVDABUZGXCW-QMMMGPOBSA-N -1 3 292.274 1.713 20 5 CDBDHM C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590263814 1173322323 /nfs/dbraw/zinc/32/23/23/1173322323.db2.gz GZLFVSOTKPEJMH-MRVPVSSYSA-N -1 3 274.284 1.764 20 5 CDBDHM C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590263814 1173322329 /nfs/dbraw/zinc/32/23/29/1173322329.db2.gz GZLFVSOTKPEJMH-MRVPVSSYSA-N -1 3 274.284 1.764 20 5 CDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC001590316891 1173350312 /nfs/dbraw/zinc/35/03/12/1173350312.db2.gz RTGVKOKBVRYQBS-RQJHMYQMSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC001590316891 1173350318 /nfs/dbraw/zinc/35/03/18/1173350318.db2.gz RTGVKOKBVRYQBS-RQJHMYQMSA-N -1 3 275.272 1.015 20 5 CDBDHM COCC1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001591390780 1173640718 /nfs/dbraw/zinc/64/07/18/1173640718.db2.gz QRKRLDXBSHILQN-UHFFFAOYSA-N -1 3 290.283 1.366 20 5 CDBDHM COCC1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001591390780 1173640730 /nfs/dbraw/zinc/64/07/30/1173640730.db2.gz QRKRLDXBSHILQN-UHFFFAOYSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1cnc(S[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593488154 1174085761 /nfs/dbraw/zinc/08/57/61/1174085761.db2.gz ZLMVTESWOAZYBC-ZETCQYMHSA-N -1 3 294.296 1.051 20 5 CDBDHM O=C([N-]O[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865080167 723733092 /nfs/dbraw/zinc/73/30/92/723733092.db2.gz KMTJHSOFFLQIGE-SNVBAGLBSA-N -1 3 284.243 1.922 20 5 CDBDHM CO[N-]C(=O)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000922829345 724251238 /nfs/dbraw/zinc/25/12/38/724251238.db2.gz CIKLCDRCXWQRHJ-UHFFFAOYSA-N -1 3 281.312 1.485 20 5 CDBDHM Cc1cc2[n-]c(OC3CC(O)C3)nc2cc1[N+](=O)[O-] ZINC001218258019 898539362 /nfs/dbraw/zinc/53/93/62/898539362.db2.gz NONDPLXCEZOYFT-UHFFFAOYSA-N -1 3 263.253 1.682 20 5 CDBDHM CCCN(CCNC(=O)CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101075069 909537063 /nfs/dbraw/zinc/53/70/63/909537063.db2.gz ZEUFMRWKOZCEGV-UHFFFAOYSA-N -1 3 296.327 1.438 20 5 CDBDHM C/C=C(\C)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094379384 910586340 /nfs/dbraw/zinc/58/63/40/910586340.db2.gz VVJADCOPGKJWNI-YCRREMRBSA-N -1 3 294.311 1.580 20 5 CDBDHM CC(C)C(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095480561 932574342 /nfs/dbraw/zinc/57/43/42/932574342.db2.gz OGNFSRMYGFZMME-UHFFFAOYSA-N -1 3 296.327 1.294 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC001164374901 939467625 /nfs/dbraw/zinc/46/76/25/939467625.db2.gz PFSRARHMRDPHFF-SSDOTTSWSA-N -1 3 297.702 1.567 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3COCO3)[n-]c2c1 ZINC001227745350 942218330 /nfs/dbraw/zinc/21/83/30/942218330.db2.gz MKGJHMUFSQDVKZ-MRVPVSSYSA-N -1 3 265.225 1.223 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3COCO3)nc2c1 ZINC001227745350 942218336 /nfs/dbraw/zinc/21/83/36/942218336.db2.gz MKGJHMUFSQDVKZ-MRVPVSSYSA-N -1 3 265.225 1.223 20 5 CDBDHM COC(=O)[C@@H]1CC[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228688095 942358669 /nfs/dbraw/zinc/35/86/69/942358669.db2.gz DPHSQTOLSNLXTQ-BDAKNGLRSA-N -1 3 296.279 1.724 20 5 CDBDHM CN1CCCC[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166733670 959320152 /nfs/dbraw/zinc/32/01/52/959320152.db2.gz PJNTUYMYIWVMJK-VIFPVBQESA-N -1 3 294.311 1.584 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CN3CCC2CC3)c1 ZINC000211493511 959689438 /nfs/dbraw/zinc/68/94/38/959689438.db2.gz YBUXXBZLKQKHPL-LBPRGKRZSA-N -1 3 291.307 1.799 20 5 CDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)F ZINC000599203965 343980972 /nfs/dbraw/zinc/98/09/72/343980972.db2.gz YQMSIWILLAXVAI-UHFFFAOYSA-N -1 3 276.243 1.304 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H](C)C(=O)[O-] ZINC000593730603 342830288 /nfs/dbraw/zinc/83/02/88/342830288.db2.gz OXYZOVCIOOYHPF-DTWKUNHWSA-N -1 3 282.296 1.802 20 5 CDBDHM COC[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593736622 342830947 /nfs/dbraw/zinc/83/09/47/342830947.db2.gz OYHWWQWXPDNIRU-JTQLQIEISA-N -1 3 294.307 1.761 20 5 CDBDHM C[C@H]([C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCOCC1 ZINC000596116165 343231785 /nfs/dbraw/zinc/23/17/85/343231785.db2.gz ZALWARPBSCTKLB-VHSXEESVSA-N -1 3 296.327 1.217 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000596126783 343237228 /nfs/dbraw/zinc/23/72/28/343237228.db2.gz QAVNHURTCSCPTL-QMMMGPOBSA-N -1 3 275.268 1.388 20 5 CDBDHM CS[C@H](CO)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596133879 343239313 /nfs/dbraw/zinc/23/93/13/343239313.db2.gz AOVUJHUTNQCBBK-HTRCEHHLSA-N -1 3 273.314 1.220 20 5 CDBDHM COCCCn1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596137805 343240881 /nfs/dbraw/zinc/24/08/81/343240881.db2.gz XMPVPLLHRHIREZ-UHFFFAOYSA-N -1 3 293.283 1.094 20 5 CDBDHM CC[C@@H](C)[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123584 343248789 /nfs/dbraw/zinc/24/87/89/343248789.db2.gz PTWWWTSCCGSQQH-APPZFPTMSA-N -1 3 255.274 1.514 20 5 CDBDHM COCC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596241366 343284638 /nfs/dbraw/zinc/28/46/38/343284638.db2.gz RAEHKCZKXSUGAQ-UHFFFAOYSA-N -1 3 255.274 1.780 20 5 CDBDHM CO[C@@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596242191 343285085 /nfs/dbraw/zinc/28/50/85/343285085.db2.gz QHFHRLKMEJWTOL-LBPRGKRZSA-N -1 3 267.285 1.922 20 5 CDBDHM CCC(CC)(CO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596173369 343259780 /nfs/dbraw/zinc/25/97/80/343259780.db2.gz SVPQXSBKLQZZJI-UHFFFAOYSA-N -1 3 269.301 1.906 20 5 CDBDHM CC[C@]1(O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596208997 343266816 /nfs/dbraw/zinc/26/68/16/343266816.db2.gz LVUVAFQFRUOSJQ-NSHDSACASA-N -1 3 253.258 1.047 20 5 CDBDHM COC[C@@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596249873 343274032 /nfs/dbraw/zinc/27/40/32/343274032.db2.gz LUVAZWMNXOJSQZ-LBPRGKRZSA-N -1 3 267.285 1.558 20 5 CDBDHM CC(C)c1nnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]1 ZINC000596249228 343274086 /nfs/dbraw/zinc/27/40/86/343274086.db2.gz DQPHUZCNOIQPFS-UHFFFAOYSA-N -1 3 278.272 1.549 20 5 CDBDHM C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCN1C ZINC000436824189 362279457 /nfs/dbraw/zinc/27/94/57/362279457.db2.gz ACDSKBYDYZDQJZ-JOYOIKCWSA-N -1 3 293.323 1.513 20 5 CDBDHM COCCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000599121304 343962718 /nfs/dbraw/zinc/96/27/18/343962718.db2.gz TVSLLYHJHUGRME-UHFFFAOYSA-N -1 3 281.312 1.948 20 5 CDBDHM COc1cc(CNc2nnc(C)n2C)c([N+](=O)[O-])cc1[O-] ZINC000158714982 188391061 /nfs/dbraw/zinc/39/10/61/188391061.db2.gz DPZHAZSYFACTQS-UHFFFAOYSA-N -1 3 293.283 1.358 20 5 CDBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]O[C@H]1CCOC1 ZINC000493481477 356284728 /nfs/dbraw/zinc/28/47/28/356284728.db2.gz GFJAQEDAQSRBRQ-FWEMWIAWSA-N -1 3 296.254 1.584 20 5 CDBDHM CN(CCN(C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000186721503 357678742 /nfs/dbraw/zinc/67/87/42/357678742.db2.gz XEPMIOGKZFANRZ-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM CCO[N-]C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294626943 199113218 /nfs/dbraw/zinc/11/32/18/199113218.db2.gz ZHCWBUWWBYLRCQ-UHFFFAOYSA-N -1 3 258.205 1.424 20 5 CDBDHM CCC(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000274362088 359007099 /nfs/dbraw/zinc/00/70/99/359007099.db2.gz BEEJNYBJTPTCJA-UHFFFAOYSA-N -1 3 286.234 1.782 20 5 CDBDHM COc1cc(CN(CC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000571649404 359595523 /nfs/dbraw/zinc/59/55/23/359595523.db2.gz PEJVSGGTZVVANN-UHFFFAOYSA-N -1 3 282.296 1.898 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000189435531 189534664 /nfs/dbraw/zinc/53/46/64/189534664.db2.gz SVEDAQUXNFPHFK-JTQLQIEISA-N -1 3 295.295 1.993 20 5 CDBDHM CN(C)C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000275825468 193138365 /nfs/dbraw/zinc/13/83/65/193138365.db2.gz FRNPMOPRDMLTOO-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM CCCN[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000423731432 246011139 /nfs/dbraw/zinc/01/11/39/246011139.db2.gz OCJNXKQNJPNKNN-QMMMGPOBSA-N -1 3 267.285 1.627 20 5 CDBDHM Cc1n[nH]c(C(=O)[N-]OCCC(F)(F)F)c1[N+](=O)[O-] ZINC000275222543 374692984 /nfs/dbraw/zinc/69/29/84/374692984.db2.gz NRGHMFQDAQDWRC-UHFFFAOYSA-N -1 3 282.178 1.240 20 5 CDBDHM Cc1nc(N(C)C[C@@H](C)c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000132898339 375630197 /nfs/dbraw/zinc/63/01/97/375630197.db2.gz YCEJIRPLAADZJO-SSDOTTSWSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1nc(N(C)C[C@@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000132898339 375630206 /nfs/dbraw/zinc/63/02/06/375630206.db2.gz YCEJIRPLAADZJO-SSDOTTSWSA-N -1 3 277.288 1.051 20 5 CDBDHM COc1cc(CNCC(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000347425250 376128207 /nfs/dbraw/zinc/12/82/07/376128207.db2.gz YHZQNRNXSOGJGI-UHFFFAOYSA-N -1 3 280.202 1.961 20 5 CDBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OC1CCOCC1 ZINC000492711425 253278235 /nfs/dbraw/zinc/27/82/35/253278235.db2.gz SZJVRDXXIWVAMB-SNAWJCMRSA-N -1 3 292.291 1.835 20 5 CDBDHM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCCN(C)C1 ZINC000175839973 390659357 /nfs/dbraw/zinc/65/93/57/390659357.db2.gz GHIJVNDLGHIXGE-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@H]1CCN(C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356586074 391077457 /nfs/dbraw/zinc/07/74/57/391077457.db2.gz YRTRKKOWERBCOE-JTQLQIEISA-N -1 3 293.323 1.467 20 5 CDBDHM CC[C@@H](O)CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000422093498 392954188 /nfs/dbraw/zinc/95/41/88/392954188.db2.gz YXRVLIDKACNVHR-SECBINFHSA-N -1 3 270.285 1.170 20 5 CDBDHM O=C(Nc1cc(Cl)ccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187067475 140074632 /nfs/dbraw/zinc/07/46/32/140074632.db2.gz NLCDHYVFRWKJMV-UHFFFAOYSA-N -1 3 294.654 1.996 20 5 CDBDHM C[C@H]1CCN[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000235647528 140236956 /nfs/dbraw/zinc/23/69/56/140236956.db2.gz CJGBQOJKDQKKRA-GZMMTYOYSA-N -1 3 279.296 1.627 20 5 CDBDHM O=C([N-]c1nncn1C1CC1)c1csc([N+](=O)[O-])c1 ZINC000286017005 397745271 /nfs/dbraw/zinc/74/52/71/397745271.db2.gz ZIGQUDBUZXELAH-UHFFFAOYSA-N -1 3 279.281 1.835 20 5 CDBDHM CCN(CC)S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355878730 157273538 /nfs/dbraw/zinc/27/35/38/157273538.db2.gz HURIQFJMFHPSMN-UHFFFAOYSA-N -1 3 291.304 1.732 20 5 CDBDHM CNC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC000362573685 159183416 /nfs/dbraw/zinc/18/34/16/159183416.db2.gz WAUCQMMSULGERH-UHFFFAOYSA-N -1 3 290.235 1.195 20 5 CDBDHM O=C([O-])c1cc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000044679318 175228378 /nfs/dbraw/zinc/22/83/78/175228378.db2.gz OPDKBTFNPOQQGW-JTQLQIEISA-N -1 3 291.307 1.942 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1C[C@H]1C ZINC000046034416 175390181 /nfs/dbraw/zinc/39/01/81/175390181.db2.gz RCPGOJCOKCZJKR-NXEZZACHSA-N -1 3 284.337 1.838 20 5 CDBDHM O=C([N-]O[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000072058621 176310979 /nfs/dbraw/zinc/31/09/79/176310979.db2.gz IOJRRCYJAYDQLB-LLVKDONJSA-N -1 3 266.253 1.783 20 5 CDBDHM CC1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590312400 1173348463 /nfs/dbraw/zinc/34/84/63/1173348463.db2.gz ICZGKIGIAKHQCL-UHFFFAOYSA-N -1 3 260.257 1.231 20 5 CDBDHM COc1cc(CN(C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000563282176 293332602 /nfs/dbraw/zinc/33/26/02/293332602.db2.gz FMJHIVILQYUJDQ-UHFFFAOYSA-N -1 3 254.242 1.120 20 5 CDBDHM O=C([N-]OC1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000772721566 575743088 /nfs/dbraw/zinc/74/30/88/575743088.db2.gz DUTFPIPUQUNPGT-UHFFFAOYSA-N -1 3 284.243 1.574 20 5 CDBDHM C[C@H]1CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000773201376 575790759 /nfs/dbraw/zinc/79/07/59/575790759.db2.gz XZFIAPYALFRQGE-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM C[C@@H](C(=O)[O-])N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757168131 577033366 /nfs/dbraw/zinc/03/33/66/577033366.db2.gz VRTKEVQQZZLWMQ-QMMMGPOBSA-N -1 3 250.254 1.426 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001607086861 1164074273 /nfs/dbraw/zinc/07/42/73/1164074273.db2.gz TWBFMEAOFPHVBX-ZETCQYMHSA-N -1 3 293.262 1.108 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001607086861 1164074279 /nfs/dbraw/zinc/07/42/79/1164074279.db2.gz TWBFMEAOFPHVBX-ZETCQYMHSA-N -1 3 293.262 1.108 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C2CCC1CC2 ZINC001593467871 1174080214 /nfs/dbraw/zinc/08/02/14/1174080214.db2.gz FQINIHXYXPNXNE-UHFFFAOYSA-N -1 3 286.295 1.906 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C2CCC1CC2 ZINC001593467871 1174080218 /nfs/dbraw/zinc/08/02/18/1174080218.db2.gz FQINIHXYXPNXNE-UHFFFAOYSA-N -1 3 286.295 1.906 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C2CCC1CC2 ZINC001593475040 1174081464 /nfs/dbraw/zinc/08/14/64/1174081464.db2.gz ODAKKRUSEFYROM-UHFFFAOYSA-N -1 3 286.295 1.906 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C2CCC1CC2 ZINC001593475040 1174081468 /nfs/dbraw/zinc/08/14/68/1174081468.db2.gz ODAKKRUSEFYROM-UHFFFAOYSA-N -1 3 286.295 1.906 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CCOC1 ZINC001593480071 1174081537 /nfs/dbraw/zinc/08/15/37/1174081537.db2.gz DRJZYPUQEMHGBW-MRVPVSSYSA-N -1 3 290.283 1.223 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CCOC1 ZINC001593480071 1174081541 /nfs/dbraw/zinc/08/15/41/1174081541.db2.gz DRJZYPUQEMHGBW-MRVPVSSYSA-N -1 3 290.283 1.223 20 5 CDBDHM O=C([O-])[C@@H](CF)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC001601650729 1167797339 /nfs/dbraw/zinc/79/73/39/1167797339.db2.gz QTKHHJGGTSVODD-RXNUUUNCSA-N -1 3 268.244 1.620 20 5 CDBDHM COCCn1nccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819531 925857137 /nfs/dbraw/zinc/85/71/37/925857137.db2.gz WVECYGWMKSIODS-UHFFFAOYSA-N -1 3 278.268 1.887 20 5 CDBDHM Cn1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2ncnc1-2 ZINC001199801452 925867973 /nfs/dbraw/zinc/86/79/73/925867973.db2.gz SHGDBMHHSMOJOQ-UHFFFAOYSA-N -1 3 286.251 1.672 20 5 CDBDHM O=[N+]([O-])c1cnc2ccc(NCc3ncccc3[O-])cn21 ZINC001169733266 928397052 /nfs/dbraw/zinc/39/70/52/928397052.db2.gz RRDQRAOAGTYJMV-UHFFFAOYSA-N -1 3 285.263 1.955 20 5 CDBDHM O=[N+]([O-])c1cc[n+]([O-])c(NCc2ncccc2[O-])c1F ZINC001169733958 928401462 /nfs/dbraw/zinc/40/14/62/928401462.db2.gz RRSFCIKIAZOORR-UHFFFAOYSA-N -1 3 280.215 1.080 20 5 CDBDHM O=C([O-])c1ccc(N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000163933368 940076317 /nfs/dbraw/zinc/07/63/17/940076317.db2.gz AXYHYKLKOLDSRP-LBPRGKRZSA-N -1 3 291.307 1.799 20 5 CDBDHM CC1=C(Oc2c([O-])cccc2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001226332511 941988096 /nfs/dbraw/zinc/98/80/96/941988096.db2.gz AYMITPAHRJXFLQ-ZETCQYMHSA-N -1 3 265.221 1.899 20 5 CDBDHM Cc1nnc(=O)[n-]c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001226464849 942008818 /nfs/dbraw/zinc/00/88/18/942008818.db2.gz UGRBAPHBWGLFGR-MRVPVSSYSA-N -1 3 276.252 1.934 20 5 CDBDHM C[C@H]1COC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227741132 942216103 /nfs/dbraw/zinc/21/61/03/942216103.db2.gz IAJYLPAORLFLSM-CPCISQLKSA-N -1 3 263.253 1.885 20 5 CDBDHM C[C@H]1COC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227741132 942216109 /nfs/dbraw/zinc/21/61/09/942216109.db2.gz IAJYLPAORLFLSM-CPCISQLKSA-N -1 3 263.253 1.885 20 5 CDBDHM Cc1[n-]c(=O)cc(OCC[C@H]2COC(C)(C)O2)c1[N+](=O)[O-] ZINC001228687285 942357502 /nfs/dbraw/zinc/35/75/02/942357502.db2.gz VKVWGKPOCHFUSV-VIFPVBQESA-N -1 3 298.295 1.924 20 5 CDBDHM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)C(=O)[O-] ZINC001327323882 954828818 /nfs/dbraw/zinc/82/88/18/954828818.db2.gz SUULZKPLLQCUNO-HTQZYQBOSA-N -1 3 293.279 1.935 20 5 CDBDHM O=c1[n-]ccc(N2CCC(n3ccnn3)CC2)c1[N+](=O)[O-] ZINC001327687977 955000086 /nfs/dbraw/zinc/00/00/86/955000086.db2.gz LZMLDXDFKPTCTJ-UHFFFAOYSA-N -1 3 290.283 1.128 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001308036555 956459267 /nfs/dbraw/zinc/45/92/67/956459267.db2.gz XTQMDGOTNWWZLM-MRVPVSSYSA-N -1 3 292.274 1.237 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001308036555 956459272 /nfs/dbraw/zinc/45/92/72/956459272.db2.gz XTQMDGOTNWWZLM-MRVPVSSYSA-N -1 3 292.274 1.237 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C=CCC1 ZINC001593471830 1174080631 /nfs/dbraw/zinc/08/06/31/1174080631.db2.gz VGVPCVWHHWLRBK-VIFPVBQESA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C=CCC1 ZINC001593471830 1174080638 /nfs/dbraw/zinc/08/06/38/1174080638.db2.gz VGVPCVWHHWLRBK-VIFPVBQESA-N -1 3 272.268 1.905 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccsc1[N+](=O)[O-] ZINC000601195600 342488839 /nfs/dbraw/zinc/48/88/39/342488839.db2.gz QJODPLXFZUZWOR-ZETCQYMHSA-N -1 3 268.298 1.580 20 5 CDBDHM Cc1ccc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC000601195453 342488941 /nfs/dbraw/zinc/48/89/41/342488941.db2.gz OJWXEAXNIYPANW-SNVBAGLBSA-N -1 3 276.296 1.827 20 5 CDBDHM O=C([O-])CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592424964 342690241 /nfs/dbraw/zinc/69/02/41/342690241.db2.gz YUHJWTWCGVDKQM-UHFFFAOYSA-N -1 3 296.279 1.320 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1N1CCCN(CC(=O)[O-])CC1 ZINC000157207942 342188793 /nfs/dbraw/zinc/18/87/93/342188793.db2.gz BLZOFHHAXYJMFC-UHFFFAOYSA-N -1 3 293.323 1.500 20 5 CDBDHM CN(C[C@H]1CCCOC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596125052 343236877 /nfs/dbraw/zinc/23/68/77/343236877.db2.gz YGNLXDGZBIQSRC-SECBINFHSA-N -1 3 267.285 1.558 20 5 CDBDHM CCC[C@@H](C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596239849 343284183 /nfs/dbraw/zinc/28/41/83/343284183.db2.gz LSTLOKKYCPIJDB-SECBINFHSA-N -1 3 296.327 1.660 20 5 CDBDHM C[C@H]1OCC[C@@H]1Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172473 343259205 /nfs/dbraw/zinc/25/92/05/343259205.db2.gz LQNYOPMRQKNYSR-RQJHMYQMSA-N -1 3 256.283 1.965 20 5 CDBDHM C[C@@H]1OCC[C@@H]1Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172470 343259235 /nfs/dbraw/zinc/25/92/35/343259235.db2.gz LQNYOPMRQKNYSR-BQBZGAKWSA-N -1 3 256.283 1.965 20 5 CDBDHM CC[C@@]1(O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596208996 343266793 /nfs/dbraw/zinc/26/67/93/343266793.db2.gz LVUVAFQFRUOSJQ-LLVKDONJSA-N -1 3 253.258 1.047 20 5 CDBDHM CC[C@H](C)CO[N-]C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000293690708 362929956 /nfs/dbraw/zinc/92/99/56/362929956.db2.gz KDDFBTUXTPALBE-LURJTMIESA-N -1 3 256.262 1.334 20 5 CDBDHM COc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000090555794 180003266 /nfs/dbraw/zinc/00/32/66/180003266.db2.gz GSSSMCGPENMCGC-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436529407 358760867 /nfs/dbraw/zinc/76/08/67/358760867.db2.gz RGOQAGIHMGJDND-UHFFFAOYSA-N -1 3 296.670 1.940 20 5 CDBDHM CCOc1cc(CN(C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000571537172 359584805 /nfs/dbraw/zinc/58/48/05/359584805.db2.gz DHRWHTXRVXVARQ-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM O=C([N-]c1nc(C2CC2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000548084032 360046754 /nfs/dbraw/zinc/04/67/54/360046754.db2.gz OEMILPWISHAMJZ-UHFFFAOYSA-N -1 3 279.281 1.904 20 5 CDBDHM CC(C)c1n[nH]c(C(=O)[N-]OC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000276434083 193329183 /nfs/dbraw/zinc/32/91/83/193329183.db2.gz KQKRRQNKMQUJBX-MRVPVSSYSA-N -1 3 298.299 1.139 20 5 CDBDHM Cc1nc(Sc2nnc(CO)[n-]2)ccc1[N+](=O)[O-] ZINC000530352651 374480157 /nfs/dbraw/zinc/48/01/57/374480157.db2.gz BBJFEYNPNAJZTQ-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1nc(Sc2n[n-]c(CO)n2)ccc1[N+](=O)[O-] ZINC000530352651 374480162 /nfs/dbraw/zinc/48/01/62/374480162.db2.gz BBJFEYNPNAJZTQ-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c([O-])c1 ZINC000442697894 392462038 /nfs/dbraw/zinc/46/20/38/392462038.db2.gz AUCDKDVGNOQZBD-UHFFFAOYSA-N -1 3 292.251 1.144 20 5 CDBDHM Cc1nnc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000180688450 140017926 /nfs/dbraw/zinc/01/79/26/140017926.db2.gz DUVOJAFTXKPMBL-UHFFFAOYSA-N -1 3 279.281 1.589 20 5 CDBDHM NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000236193625 140238539 /nfs/dbraw/zinc/23/85/39/140238539.db2.gz LCZGWSSCLFJGLD-UHFFFAOYSA-N -1 3 265.269 1.510 20 5 CDBDHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354112924 156273144 /nfs/dbraw/zinc/27/31/44/156273144.db2.gz ODPUHTVQNIZHRT-UHFFFAOYSA-N -1 3 299.246 1.647 20 5 CDBDHM Cn1c(C(=O)Nc2cccc([O-])c2)ccc1[N+](=O)[O-] ZINC000020214358 171076440 /nfs/dbraw/zinc/07/64/40/171076440.db2.gz YTVSUXNQBVSOKU-UHFFFAOYSA-N -1 3 261.237 1.891 20 5 CDBDHM C[C@@H]1C[C@@H](C)N1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590192641 1173287924 /nfs/dbraw/zinc/28/79/24/1173287924.db2.gz VODXJPJKLCZQPB-HTQZYQBOSA-N -1 3 274.284 1.762 20 5 CDBDHM C[C@@H]1C[C@@H](C)N1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590192641 1173287926 /nfs/dbraw/zinc/28/79/26/1173287926.db2.gz VODXJPJKLCZQPB-HTQZYQBOSA-N -1 3 274.284 1.762 20 5 CDBDHM CSc1cccc(C(=O)[N-]c2nncn2C)c1[N+](=O)[O-] ZINC000189103716 270273888 /nfs/dbraw/zinc/27/38/88/270273888.db2.gz USXFHBXBWPNYTI-UHFFFAOYSA-N -1 3 293.308 1.698 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN(CC(=O)[O-])C(C)C ZINC000576285803 317111145 /nfs/dbraw/zinc/11/11/45/317111145.db2.gz WBSYVTOFXFUCDR-UHFFFAOYSA-N -1 3 282.296 1.898 20 5 CDBDHM CC(=O)N(C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001113392137 1162167666 /nfs/dbraw/zinc/16/76/66/1162167666.db2.gz NCYBKKZECNWNQI-UHFFFAOYSA-N -1 3 296.327 1.612 20 5 CDBDHM CC(C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735858841 575522098 /nfs/dbraw/zinc/52/20/98/575522098.db2.gz HUPZVOZHWOMQEW-UHFFFAOYSA-N -1 3 262.273 1.620 20 5 CDBDHM CC(C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735858841 575522099 /nfs/dbraw/zinc/52/20/99/575522099.db2.gz HUPZVOZHWOMQEW-UHFFFAOYSA-N -1 3 262.273 1.620 20 5 CDBDHM C[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736235814 575598260 /nfs/dbraw/zinc/59/82/60/575598260.db2.gz GSVPKADFVAFLGZ-RQJHMYQMSA-N -1 3 275.272 1.238 20 5 CDBDHM C[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736235814 575598264 /nfs/dbraw/zinc/59/82/64/575598264.db2.gz GSVPKADFVAFLGZ-RQJHMYQMSA-N -1 3 275.272 1.238 20 5 CDBDHM O=[N+]([O-])c1cnc(NCCCC2CC2)c(-c2nnn[n-]2)c1 ZINC000738374286 576064259 /nfs/dbraw/zinc/06/42/59/576064259.db2.gz MIQFKGQFHPPOAU-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM O=[N+]([O-])c1cnc(NCCCC2CC2)c(-c2nn[n-]n2)c1 ZINC000738374286 576064261 /nfs/dbraw/zinc/06/42/61/576064261.db2.gz MIQFKGQFHPPOAU-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ccon2)c(-c2nnn[n-]2)c1 ZINC000823640116 606165715 /nfs/dbraw/zinc/16/57/15/606165715.db2.gz TYBSZWYMVXPWFQ-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ccon2)c(-c2nn[n-]n2)c1 ZINC000823640116 606165716 /nfs/dbraw/zinc/16/57/16/606165716.db2.gz TYBSZWYMVXPWFQ-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2cccc(-c3nnn[n-]3)c2F)cn1 ZINC000826500987 608397133 /nfs/dbraw/zinc/39/71/33/608397133.db2.gz UVNPUNZRQDFDAJ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2cccc(-c3nn[n-]n3)c2F)cn1 ZINC000826500987 608397135 /nfs/dbraw/zinc/39/71/35/608397135.db2.gz UVNPUNZRQDFDAJ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=c1[n-]ccc(N2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000893941933 618206678 /nfs/dbraw/zinc/20/66/78/618206678.db2.gz WKMPEQXSYVWIDV-UHFFFAOYSA-N -1 3 265.269 1.312 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccoc1 ZINC001607081269 1164070593 /nfs/dbraw/zinc/07/05/93/1164070593.db2.gz DXUCHZZIHGVNFX-UHFFFAOYSA-N -1 3 286.251 1.980 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccoc1 ZINC001607081269 1164070601 /nfs/dbraw/zinc/07/06/01/1164070601.db2.gz DXUCHZZIHGVNFX-UHFFFAOYSA-N -1 3 286.251 1.980 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CC=CCC1 ZINC001593470733 1174079022 /nfs/dbraw/zinc/07/90/22/1174079022.db2.gz LBXVEBNXKONVLT-VIFPVBQESA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CC=CCC1 ZINC001593470733 1174079029 /nfs/dbraw/zinc/07/90/29/1174079029.db2.gz LBXVEBNXKONVLT-VIFPVBQESA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCCCN1 ZINC001593467820 1174079664 /nfs/dbraw/zinc/07/96/64/1174079664.db2.gz FGOZHDAMIHIPHG-UHFFFAOYSA-N -1 3 293.262 1.019 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCCCN1 ZINC001593467820 1174079667 /nfs/dbraw/zinc/07/96/67/1174079667.db2.gz FGOZHDAMIHIPHG-UHFFFAOYSA-N -1 3 293.262 1.019 20 5 CDBDHM CC(=O)OC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853458745 728434145 /nfs/dbraw/zinc/43/41/45/728434145.db2.gz RIXIMLLYPVMVNT-UHFFFAOYSA-N -1 3 281.268 1.227 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](C(=O)[O-])C1 ZINC000849232273 729819117 /nfs/dbraw/zinc/81/91/17/729819117.db2.gz VLVGOMVSWLTTDD-HOMQSWHASA-N -1 3 294.307 1.946 20 5 CDBDHM Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000816746442 729826004 /nfs/dbraw/zinc/82/60/04/729826004.db2.gz ZZGZCVGBDDYWAU-UHFFFAOYSA-N -1 3 281.659 1.629 20 5 CDBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCC1 ZINC001609281632 1164881516 /nfs/dbraw/zinc/88/15/16/1164881516.db2.gz RCXWSOBJCBFEAK-UHFFFAOYSA-N -1 3 274.284 1.764 20 5 CDBDHM O=c1[n-]ccc(NC[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000695447453 899462806 /nfs/dbraw/zinc/46/28/06/899462806.db2.gz BZRILOJLTMLEEP-YFKPBYRVSA-N -1 3 267.163 1.031 20 5 CDBDHM O=C(N[C@@H]1CN2CCC1CC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001120687305 937826117 /nfs/dbraw/zinc/82/61/17/937826117.db2.gz OMUOUZAWSSUNKP-CYBMUJFWSA-N -1 3 291.307 1.124 20 5 CDBDHM O=c1[n-]cc(-c2nnc([C@@H]3CCOC3)o2)cc1[N+](=O)[O-] ZINC001255585136 948012761 /nfs/dbraw/zinc/01/27/61/948012761.db2.gz CHMVILHLEPUAKD-ZCFIWIBFSA-N -1 3 278.224 1.249 20 5 CDBDHM CC(C)Cc1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC001256480999 948333001 /nfs/dbraw/zinc/33/30/01/948333001.db2.gz HGZQWQOFEQQAMA-UHFFFAOYSA-N -1 3 264.241 1.944 20 5 CDBDHM CC[C@](COC)(NCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000328515011 971486993 /nfs/dbraw/zinc/48/69/93/971486993.db2.gz DGMHVIJGZPDXBI-CYBMUJFWSA-N -1 3 282.296 1.564 20 5 CDBDHM O=c1cc([C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)[n-][nH]1 ZINC001307156662 956373598 /nfs/dbraw/zinc/37/35/98/956373598.db2.gz MREGHLDWTXXBER-ZCFIWIBFSA-N -1 3 281.297 1.474 20 5 CDBDHM CCCN(CC(=O)[O-])Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001595856189 982788306 /nfs/dbraw/zinc/78/83/06/982788306.db2.gz LSGMHZDMBRIBHS-UHFFFAOYSA-N -1 3 298.295 1.606 20 5 CDBDHM CC(C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H](C)O ZINC001593459752 995375181 /nfs/dbraw/zinc/37/51/81/995375181.db2.gz REABNVXLDPPBBT-JTQLQIEISA-N -1 3 296.323 1.884 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000601195146 342488771 /nfs/dbraw/zinc/48/87/71/342488771.db2.gz FIUHKGVZZUSIHH-MRVPVSSYSA-N -1 3 280.259 1.658 20 5 CDBDHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000070249052 361868416 /nfs/dbraw/zinc/86/84/16/361868416.db2.gz LPERXYYAWKPFOY-MRVPVSSYSA-N -1 3 288.325 1.680 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000573461436 361883516 /nfs/dbraw/zinc/88/35/16/361883516.db2.gz SHXDTFBCDNTGRL-JSGCOSHPSA-N -1 3 278.308 1.958 20 5 CDBDHM CCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594743958 342952588 /nfs/dbraw/zinc/95/25/88/342952588.db2.gz CLPXYWCKWCCWBL-UHFFFAOYSA-N -1 3 295.320 1.831 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000594802039 342958760 /nfs/dbraw/zinc/95/87/60/342958760.db2.gz HWMNBHRJFSSMFN-BXKDBHETSA-N -1 3 282.321 1.816 20 5 CDBDHM COC[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596134492 343239424 /nfs/dbraw/zinc/23/94/24/343239424.db2.gz KFUMFXFNPWSKHN-QMMMGPOBSA-N -1 3 253.258 1.168 20 5 CDBDHM CC[C@@H](C)[C@@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123988 343248922 /nfs/dbraw/zinc/24/89/22/343248922.db2.gz QKXWQVDZADALRW-PELKAZGASA-N -1 3 269.301 1.904 20 5 CDBDHM COC(=O)CCCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000290821466 197829622 /nfs/dbraw/zinc/82/96/22/197829622.db2.gz ZSSKLHWJUUZXOL-UHFFFAOYSA-N -1 3 296.279 1.138 20 5 CDBDHM O=C([N-]OC[C@H]1CCOC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000188336301 357880481 /nfs/dbraw/zinc/88/04/81/357880481.db2.gz QGSJGDJXBJGEJD-QMMMGPOBSA-N -1 3 284.243 1.432 20 5 CDBDHM NC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339084864 359285116 /nfs/dbraw/zinc/28/51/16/359285116.db2.gz HXJUBSULHUDGPT-NEPJUHHUSA-N -1 3 293.323 1.434 20 5 CDBDHM CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130346232 359761861 /nfs/dbraw/zinc/76/18/61/359761861.db2.gz FUGAEIVLSCWYBY-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM CC(C)(C)c1cc([N-]C(=O)Cn2cnc([N+](=O)[O-])c2)on1 ZINC000026123493 364048306 /nfs/dbraw/zinc/04/83/06/364048306.db2.gz DYWKOHWDIUWDNP-UHFFFAOYSA-N -1 3 293.283 1.716 20 5 CDBDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C ZINC000356614151 372984877 /nfs/dbraw/zinc/98/48/77/372984877.db2.gz UCBXZCSFTXITKY-GXSJLCMTSA-N -1 3 293.323 1.513 20 5 CDBDHM CSCCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000280069978 374982048 /nfs/dbraw/zinc/98/20/48/374982048.db2.gz RJGATSRMMTXVTI-UHFFFAOYSA-N -1 3 284.337 1.857 20 5 CDBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]OCCCO ZINC000493462791 375455493 /nfs/dbraw/zinc/45/54/93/375455493.db2.gz WQHSQOZQNRUXRW-HYXAFXHYSA-N -1 3 284.243 1.177 20 5 CDBDHM COc1cc(CN[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1[O-] ZINC000459598741 392485228 /nfs/dbraw/zinc/48/52/28/392485228.db2.gz QCGJCWVKOMKORI-MWLCHTKSSA-N -1 3 282.296 1.312 20 5 CDBDHM Cc1ccnc(Sc2nnc(CO)[n-]2)c1[N+](=O)[O-] ZINC000526074433 392946493 /nfs/dbraw/zinc/94/64/93/392946493.db2.gz NAZGLLAHXDAFSL-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1ccnc(Sc2nc(CO)n[n-]2)c1[N+](=O)[O-] ZINC000526074433 392946496 /nfs/dbraw/zinc/94/64/96/392946496.db2.gz NAZGLLAHXDAFSL-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1ccnc(Sc2n[n-]c(CO)n2)c1[N+](=O)[O-] ZINC000526074433 392946500 /nfs/dbraw/zinc/94/65/00/392946500.db2.gz NAZGLLAHXDAFSL-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM C[C@@H](Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@H](C)O ZINC001589998738 1173231088 /nfs/dbraw/zinc/23/10/88/1173231088.db2.gz YWOANJZLIYZMEF-NKWVEPMBSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@H](C)O ZINC001589998738 1173231094 /nfs/dbraw/zinc/23/10/94/1173231094.db2.gz YWOANJZLIYZMEF-NKWVEPMBSA-N -1 3 295.324 1.636 20 5 CDBDHM CCO[C@H]1C[C@H]1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000517069692 280972429 /nfs/dbraw/zinc/97/24/29/280972429.db2.gz DBVVOLZZCUQRER-SKDRFNHKSA-N -1 3 282.296 1.576 20 5 CDBDHM COC(=O)c1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000154761746 289217058 /nfs/dbraw/zinc/21/70/58/289217058.db2.gz CEGFABJGSBCRNV-UHFFFAOYSA-N -1 3 296.264 1.418 20 5 CDBDHM Cc1cccc(C(=O)[N-]c2ncn(C)n2)c1[N+](=O)[O-] ZINC000554456778 290160939 /nfs/dbraw/zinc/16/09/39/290160939.db2.gz VJLYFKXTZQZYQL-UHFFFAOYSA-N -1 3 261.241 1.284 20 5 CDBDHM COC(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591315083 1173601246 /nfs/dbraw/zinc/60/12/46/1173601246.db2.gz XWIMIUSPVHOVKV-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM COC(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591315083 1173601251 /nfs/dbraw/zinc/60/12/51/1173601251.db2.gz XWIMIUSPVHOVKV-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1csc(=O)[n-]1 ZINC000569778725 316845363 /nfs/dbraw/zinc/84/53/63/316845363.db2.gz VDQGUDRPSSLYME-UHFFFAOYSA-N -1 3 279.277 1.687 20 5 CDBDHM CC(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000147049834 518671067 /nfs/dbraw/zinc/67/10/67/518671067.db2.gz NAOOXTYQESIEPU-UHFFFAOYSA-N -1 3 272.326 1.919 20 5 CDBDHM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736037203 575553366 /nfs/dbraw/zinc/55/33/66/575553366.db2.gz KGTXFWNGWFHGRU-YUMQZZPRSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736037203 575553368 /nfs/dbraw/zinc/55/33/68/575553368.db2.gz KGTXFWNGWFHGRU-YUMQZZPRSA-N -1 3 292.299 1.204 20 5 CDBDHM CSC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737175869 575894700 /nfs/dbraw/zinc/89/47/00/575894700.db2.gz IVTDIANHVZBINQ-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM CSC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737175869 575894701 /nfs/dbraw/zinc/89/47/01/575894701.db2.gz IVTDIANHVZBINQ-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM O=[N+]([O-])c1ccc(Cn2ccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826498461 607891837 /nfs/dbraw/zinc/89/18/37/607891837.db2.gz VXOUNMKNXNYBPB-UHFFFAOYSA-N -1 3 288.242 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(Cn2ccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826498461 607891838 /nfs/dbraw/zinc/89/18/38/607891838.db2.gz VXOUNMKNXNYBPB-UHFFFAOYSA-N -1 3 288.242 1.764 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCCCC1 ZINC001607084158 1164071579 /nfs/dbraw/zinc/07/15/79/1164071579.db2.gz TYEPJBVFJCXOFN-UHFFFAOYSA-N -1 3 274.284 1.765 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCCCC1 ZINC001607084158 1164071574 /nfs/dbraw/zinc/07/15/74/1164071574.db2.gz TYEPJBVFJCXOFN-UHFFFAOYSA-N -1 3 274.284 1.765 20 5 CDBDHM CC1(C)C[C@@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590112681 1173261763 /nfs/dbraw/zinc/26/17/63/1173261763.db2.gz APCOZEOVULEXAP-VIFPVBQESA-N -1 3 274.284 1.985 20 5 CDBDHM CC1(C)C[C@@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590112681 1173261769 /nfs/dbraw/zinc/26/17/69/1173261769.db2.gz APCOZEOVULEXAP-VIFPVBQESA-N -1 3 274.284 1.985 20 5 CDBDHM CO[C@@H](C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591467269 1173656827 /nfs/dbraw/zinc/65/68/27/1173656827.db2.gz GIFXLIWDJJJBPH-ZETCQYMHSA-N -1 3 278.272 1.222 20 5 CDBDHM Cc1cc(-c2nnn[n-]2)cc(Oc2cccnc2[N+](=O)[O-])n1 ZINC001591860650 1173725830 /nfs/dbraw/zinc/72/58/30/1173725830.db2.gz UVDKVHLBPNNWFJ-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1cc(-c2nn[n-]n2)cc(Oc2cccnc2[N+](=O)[O-])n1 ZINC001591860650 1173725834 /nfs/dbraw/zinc/72/58/34/1173725834.db2.gz UVDKVHLBPNNWFJ-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC[C@H]3C[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001593470749 1174080383 /nfs/dbraw/zinc/08/03/83/1174080383.db2.gz IJBHKBDGYLZMAB-IUCAKERBSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1ncccc1OCc1ccccc1-c1nnn[n-]1 ZINC001593488089 1174083601 /nfs/dbraw/zinc/08/36/01/1174083601.db2.gz ORWDBQXHTZAXPJ-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1ncccc1OCc1ccccc1-c1nn[n-]n1 ZINC001593488089 1174083608 /nfs/dbraw/zinc/08/36/08/1174083608.db2.gz ORWDBQXHTZAXPJ-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM C=C/C=C\CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602808095 1175410660 /nfs/dbraw/zinc/41/06/60/1175410660.db2.gz XROFFWZSZMWFEE-ARJAWSKDSA-N -1 3 287.283 1.714 20 5 CDBDHM C=C/C=C\CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602808095 1175410663 /nfs/dbraw/zinc/41/06/63/1175410663.db2.gz XROFFWZSZMWFEE-ARJAWSKDSA-N -1 3 287.283 1.714 20 5 CDBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(F)F ZINC001603681742 1175596449 /nfs/dbraw/zinc/59/64/49/1175596449.db2.gz LMPPJIUSCGHNRB-YFKPBYRVSA-N -1 3 284.226 1.840 20 5 CDBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(F)F ZINC001603681742 1175596452 /nfs/dbraw/zinc/59/64/52/1175596452.db2.gz LMPPJIUSCGHNRB-YFKPBYRVSA-N -1 3 284.226 1.840 20 5 CDBDHM CC(C)OCCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001603923355 1175686136 /nfs/dbraw/zinc/68/61/36/1175686136.db2.gz JGTSNYJEOUPBNT-CQSZACIVSA-N -1 3 296.323 1.909 20 5 CDBDHM CC(C)=CC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101488344 936976123 /nfs/dbraw/zinc/97/61/23/936976123.db2.gz ALYBAHHTYIWLLP-UHFFFAOYSA-N -1 3 294.311 1.532 20 5 CDBDHM C[C@H]1COCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853458779 928020320 /nfs/dbraw/zinc/02/03/20/928020320.db2.gz TVVKAFRZHKYPSA-MRVPVSSYSA-N -1 3 253.258 1.168 20 5 CDBDHM Cc1ncc(Nc2nc(Cl)c(C)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297938 938973588 /nfs/dbraw/zinc/97/35/88/938973588.db2.gz KLHBYNAUESKIMK-ZETCQYMHSA-N -1 3 295.686 1.762 20 5 CDBDHM Cc1ccc(Nc2c(N)[nH]c(=O)[n-]c2=O)c([N+](=O)[O-])c1 ZINC001214167230 940804810 /nfs/dbraw/zinc/80/48/10/940804810.db2.gz BUTVLIRSSUNFTP-UHFFFAOYSA-N -1 3 277.240 1.430 20 5 CDBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C1CCOCC1 ZINC001225660426 941894930 /nfs/dbraw/zinc/89/49/30/941894930.db2.gz DIMNIJCIKOAKIN-MRVPVSSYSA-N -1 3 268.269 1.889 20 5 CDBDHM CC[C@@H](CC(=O)OC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665706 941897471 /nfs/dbraw/zinc/89/74/71/941897471.db2.gz DLXTUPDEUBZNHM-ZETCQYMHSA-N -1 3 270.241 1.416 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCOC[C@H]2F)c1[N+](=O)[O-] ZINC001228687741 942358902 /nfs/dbraw/zinc/35/89/02/942358902.db2.gz AKWYGKLLGPAIPO-SFYZADRCSA-N -1 3 272.232 1.510 20 5 CDBDHM CN1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3[O-])[C@H]1CC(=O)C2 ZINC001229396670 942464459 /nfs/dbraw/zinc/46/44/59/942464459.db2.gz VWUMDUYMQIHKLI-NDMJEZRESA-N -1 3 292.291 1.483 20 5 CDBDHM O=C([O-])CCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001595041167 951424959 /nfs/dbraw/zinc/42/49/59/951424959.db2.gz SBFFJFZOCKDPHD-UHFFFAOYSA-N -1 3 279.296 1.603 20 5 CDBDHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cccnc1[N+](=O)[O-] ZINC001594216519 959336631 /nfs/dbraw/zinc/33/66/31/959336631.db2.gz ZDYYIICMGHGXBF-MWLCHTKSSA-N -1 3 279.296 1.817 20 5 CDBDHM COCc1ncsc1C(=O)[N-]c1c([N+](=O)[O-])cnn1C ZINC001321737198 959927949 /nfs/dbraw/zinc/92/79/49/959927949.db2.gz GWRSDZWPXAYCRR-UHFFFAOYSA-N -1 3 297.296 1.184 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1sccc1[N+](=O)[O-] ZINC000601196114 342489393 /nfs/dbraw/zinc/48/93/93/342489393.db2.gz ZCLBVQXYODXSBO-SSDOTTSWSA-N -1 3 268.298 1.580 20 5 CDBDHM C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000093028763 342477604 /nfs/dbraw/zinc/47/76/04/342477604.db2.gz SIBJUTXSEJSAIX-IUCAKERBSA-N -1 3 252.270 1.794 20 5 CDBDHM Cc1cc(S(=O)(=O)[N-]CC2CC2)c(F)cc1[N+](=O)[O-] ZINC000590589593 342578430 /nfs/dbraw/zinc/57/84/30/342578430.db2.gz XVGJIGLBFYGFKU-UHFFFAOYSA-N -1 3 288.300 1.731 20 5 CDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2cocn2)cc1 ZINC000609352711 342103818 /nfs/dbraw/zinc/10/38/18/342103818.db2.gz AOZRKSUFOJOMBT-UHFFFAOYSA-N -1 3 297.292 1.202 20 5 CDBDHM CCn1c(C)nc([N+](=O)[O-])c1NCCc1c(C)[n-][nH]c1=O ZINC000588817370 342222154 /nfs/dbraw/zinc/22/21/54/342222154.db2.gz DIIUXWKYKFKBNI-SECBINFHSA-N -1 3 294.315 1.044 20 5 CDBDHM CO[C@@]1(C(=O)[O-])CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000600675175 342241228 /nfs/dbraw/zinc/24/12/28/342241228.db2.gz JPHCHRZQLWPQQH-AWEZNQCLSA-N -1 3 294.307 1.313 20 5 CDBDHM COC(C)(C)c1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653433 342934266 /nfs/dbraw/zinc/93/42/66/342934266.db2.gz UFRNOSMHFKMOSH-UHFFFAOYSA-N -1 3 278.268 1.763 20 5 CDBDHM CC(C)(C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596097891 343235697 /nfs/dbraw/zinc/23/56/97/343235697.db2.gz IIDRAFNCEZWSLB-UHFFFAOYSA-N -1 3 282.300 1.270 20 5 CDBDHM C[C@H]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182768 343250660 /nfs/dbraw/zinc/25/06/60/343250660.db2.gz RTZWQHSQBINJFX-IUCAKERBSA-N -1 3 267.285 1.922 20 5 CDBDHM Cc1cc(C[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])n[nH]1 ZINC000596165070 343257274 /nfs/dbraw/zinc/25/72/74/343257274.db2.gz JEMFXXVSXYRZLM-SSDOTTSWSA-N -1 3 277.284 1.770 20 5 CDBDHM Cc1cc(C[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]n1 ZINC000596165070 343257276 /nfs/dbraw/zinc/25/72/76/343257276.db2.gz JEMFXXVSXYRZLM-SSDOTTSWSA-N -1 3 277.284 1.770 20 5 CDBDHM CCN(CC)C(=O)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596173373 343259705 /nfs/dbraw/zinc/25/97/05/343259705.db2.gz TWFQEPRCDGLCQA-UHFFFAOYSA-N -1 3 285.325 1.656 20 5 CDBDHM CCN(CC)Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000600970707 342377535 /nfs/dbraw/zinc/37/75/35/342377535.db2.gz MGQGAYJJLPARFM-UHFFFAOYSA-N -1 3 291.311 1.723 20 5 CDBDHM CC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[S@]1=O ZINC000596257416 343276520 /nfs/dbraw/zinc/27/65/20/343276520.db2.gz OBHIQAAYEWFTJV-HXUWFJFHSA-N -1 3 299.352 1.433 20 5 CDBDHM O=C([O-])C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000003747798 362255967 /nfs/dbraw/zinc/25/59/67/362255967.db2.gz WCZXOINFFTVBNB-UHFFFAOYSA-N -1 3 264.281 1.891 20 5 CDBDHM Cc1ncc(CNCc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000344335797 362569911 /nfs/dbraw/zinc/56/99/11/362569911.db2.gz RSHTYHFGUDFMCY-UHFFFAOYSA-N -1 3 274.280 1.689 20 5 CDBDHM Cc1nc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])nn1C ZINC000344527648 362927752 /nfs/dbraw/zinc/92/77/52/362927752.db2.gz GWWCLGYYCOBTPQ-UHFFFAOYSA-N -1 3 275.268 1.592 20 5 CDBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCC3)c1[N+](=O)[O-] ZINC000064355050 348938986 /nfs/dbraw/zinc/93/89/86/348938986.db2.gz CVUTUUMUKZDBFP-UHFFFAOYSA-N -1 3 293.308 1.824 20 5 CDBDHM CN(C)Cc1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000457286633 366109036 /nfs/dbraw/zinc/10/90/36/366109036.db2.gz IFSPHPULDMHOGZ-UHFFFAOYSA-N -1 3 296.308 1.958 20 5 CDBDHM COCCCO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000286817497 358011889 /nfs/dbraw/zinc/01/18/89/358011889.db2.gz BYZQCPBDMLXJNO-UHFFFAOYSA-N -1 3 283.284 1.993 20 5 CDBDHM O=C([N-]c1cncc(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000341556866 358653490 /nfs/dbraw/zinc/65/34/90/358653490.db2.gz UFIRTFURBATAJV-UHFFFAOYSA-N -1 3 251.173 1.974 20 5 CDBDHM C[C@@H](CN(C)c1ccccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000095154302 358678741 /nfs/dbraw/zinc/67/87/41/358678741.db2.gz MPISDFXUSBYDLK-QMMMGPOBSA-N -1 3 262.273 1.348 20 5 CDBDHM C[C@@H](CN(C)c1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000095154302 358678746 /nfs/dbraw/zinc/67/87/46/358678746.db2.gz MPISDFXUSBYDLK-QMMMGPOBSA-N -1 3 262.273 1.348 20 5 CDBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000451686346 359070814 /nfs/dbraw/zinc/07/08/14/359070814.db2.gz FSUWCYYEAALNQP-SSDOTTSWSA-N -1 3 294.279 1.917 20 5 CDBDHM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272821180 370193559 /nfs/dbraw/zinc/19/35/59/370193559.db2.gz CIYOASDYVAUHTM-UHFFFAOYSA-N -1 3 298.245 1.782 20 5 CDBDHM COc1cccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1[O-] ZINC000352849892 375545566 /nfs/dbraw/zinc/54/55/66/375545566.db2.gz BOYHBRTTZITWDD-UHFFFAOYSA-N -1 3 292.251 1.593 20 5 CDBDHM O=C([N-]CCF)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000281313221 195192751 /nfs/dbraw/zinc/19/27/51/195192751.db2.gz BHMFMEQKZQZUTE-UHFFFAOYSA-N -1 3 262.187 1.772 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C(=O)[O-] ZINC000516777127 390966615 /nfs/dbraw/zinc/96/66/15/390966615.db2.gz MXBJAAATHSPSDE-NSHDSACASA-N -1 3 280.280 1.652 20 5 CDBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccco1 ZINC000188610136 390971279 /nfs/dbraw/zinc/97/12/79/390971279.db2.gz QNXSXRXSFXURHG-UHFFFAOYSA-N -1 3 282.277 1.666 20 5 CDBDHM Cc1ccnc(NCc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC000343594957 152237046 /nfs/dbraw/zinc/23/70/46/152237046.db2.gz FHXBXMSAQBHZFC-UHFFFAOYSA-N -1 3 275.268 1.714 20 5 CDBDHM O=C(Nc1ccn(-c2ccncc2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000356399621 157468780 /nfs/dbraw/zinc/46/87/80/157468780.db2.gz YLHZYNNOZCKJHT-UHFFFAOYSA-N -1 3 298.262 1.178 20 5 CDBDHM CCN(CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000038024676 174008175 /nfs/dbraw/zinc/00/81/75/174008175.db2.gz LNKCGYBFOFALTE-UHFFFAOYSA-N -1 3 252.270 1.891 20 5 CDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1[O-] ZINC000127218325 279523723 /nfs/dbraw/zinc/52/37/23/279523723.db2.gz LXNJRBNXXOZTFN-UHFFFAOYSA-N -1 3 262.225 1.136 20 5 CDBDHM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000563356272 316267007 /nfs/dbraw/zinc/26/70/07/316267007.db2.gz WATQRVPCKDFVJI-UHFFFAOYSA-N -1 3 279.340 1.826 20 5 CDBDHM COc1cc(CN2CCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000576353098 317124053 /nfs/dbraw/zinc/12/40/53/317124053.db2.gz QGYRRTKWGYLCAR-LLVKDONJSA-N -1 3 280.280 1.652 20 5 CDBDHM CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048660160 526334801 /nfs/dbraw/zinc/33/48/01/526334801.db2.gz PICIMAVNOOUEIA-UHFFFAOYSA-N -1 3 276.289 1.811 20 5 CDBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc([N+](=O)[O-])o1 ZINC000735962298 575539769 /nfs/dbraw/zinc/53/97/69/575539769.db2.gz GSDBDRFIMLDGSV-UHFFFAOYSA-N -1 3 281.176 1.204 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OC1CCOCC1 ZINC000772716715 575741960 /nfs/dbraw/zinc/74/19/60/575741960.db2.gz CRFUYMQOFKKNCC-UHFFFAOYSA-N -1 3 280.280 1.364 20 5 CDBDHM COc1cccc(C(=O)[N-]OCC(F)(F)F)c1[N+](=O)[O-] ZINC000768070316 576255396 /nfs/dbraw/zinc/25/53/96/576255396.db2.gz GRXOSFWHRCYJNK-UHFFFAOYSA-N -1 3 294.185 1.827 20 5 CDBDHM CS[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826225384 607733449 /nfs/dbraw/zinc/73/34/49/607733449.db2.gz ARFWBKHDLICGNQ-ZCFIWIBFSA-N -1 3 295.328 1.333 20 5 CDBDHM CS[C@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826225384 607733450 /nfs/dbraw/zinc/73/34/50/607733450.db2.gz ARFWBKHDLICGNQ-ZCFIWIBFSA-N -1 3 295.328 1.333 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607081769 1164072242 /nfs/dbraw/zinc/07/22/42/1164072242.db2.gz GNOUEBKBWYHWFD-GDGBQDQQSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607081769 1164072248 /nfs/dbraw/zinc/07/22/48/1164072248.db2.gz GNOUEBKBWYHWFD-GDGBQDQQSA-N -1 3 286.295 1.985 20 5 CDBDHM CC1(C)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609144966 1164792788 /nfs/dbraw/zinc/79/27/88/1164792788.db2.gz USMLSBXZRYGLGN-SECBINFHSA-N -1 3 289.299 1.770 20 5 CDBDHM CC1(C)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609144966 1164792794 /nfs/dbraw/zinc/79/27/94/1164792794.db2.gz USMLSBXZRYGLGN-SECBINFHSA-N -1 3 289.299 1.770 20 5 CDBDHM CC1=CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609151356 1164798590 /nfs/dbraw/zinc/79/85/90/1164798590.db2.gz HZKCNDTWTUZZOT-UHFFFAOYSA-N -1 3 287.283 1.326 20 5 CDBDHM CC1=CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609151356 1164798598 /nfs/dbraw/zinc/79/85/98/1164798598.db2.gz HZKCNDTWTUZZOT-UHFFFAOYSA-N -1 3 287.283 1.326 20 5 CDBDHM COC(=O)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609299658 1164883529 /nfs/dbraw/zinc/88/35/29/1164883529.db2.gz HCXHPOMWDFZESB-UHFFFAOYSA-N -1 3 295.280 1.040 20 5 CDBDHM COC(=O)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609299658 1164883533 /nfs/dbraw/zinc/88/35/33/1164883533.db2.gz HCXHPOMWDFZESB-UHFFFAOYSA-N -1 3 295.280 1.040 20 5 CDBDHM Cc1c(Oc2cc(-c3nnn[n-]3)cnn2)cccc1[N+](=O)[O-] ZINC001591831510 1173711765 /nfs/dbraw/zinc/71/17/65/1173711765.db2.gz XKHPOAISDLOQCD-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1c(Oc2cc(-c3nn[n-]n3)cnn2)cccc1[N+](=O)[O-] ZINC001591831510 1173711769 /nfs/dbraw/zinc/71/17/69/1173711769.db2.gz XKHPOAISDLOQCD-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1cc(N[C@H]2CCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592054848 1173789594 /nfs/dbraw/zinc/78/95/94/1173789594.db2.gz HAUVJDAPSXDVJF-QMMMGPOBSA-N -1 3 290.283 1.284 20 5 CDBDHM Cc1cc(N[C@H]2CCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592054848 1173789597 /nfs/dbraw/zinc/78/95/97/1173789597.db2.gz HAUVJDAPSXDVJF-QMMMGPOBSA-N -1 3 290.283 1.284 20 5 CDBDHM Cc1nc(Oc2ccc(-c3nnn[n-]3)cc2)ncc1[N+](=O)[O-] ZINC001592397115 1173882395 /nfs/dbraw/zinc/88/23/95/1173882395.db2.gz FJJPURSKEZMIDR-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1nc(Oc2ccc(-c3nn[n-]n3)cc2)ncc1[N+](=O)[O-] ZINC001592397115 1173882400 /nfs/dbraw/zinc/88/24/00/1173882400.db2.gz FJJPURSKEZMIDR-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM O=[N+]([O-])c1cnc(NC/C=C\Cl)c(-c2nnn[n-]2)c1 ZINC001593484894 1174084135 /nfs/dbraw/zinc/08/41/35/1174084135.db2.gz LZBFABREOSCNPG-UPHRSURJSA-N -1 3 281.663 1.334 20 5 CDBDHM O=[N+]([O-])c1cnc(NC/C=C\Cl)c(-c2nn[n-]n2)c1 ZINC001593484894 1174084144 /nfs/dbraw/zinc/08/41/44/1174084144.db2.gz LZBFABREOSCNPG-UPHRSURJSA-N -1 3 281.663 1.334 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001593486253 1174084158 /nfs/dbraw/zinc/08/41/58/1174084158.db2.gz PMDDACUMSLCAFQ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001593486253 1174084162 /nfs/dbraw/zinc/08/41/62/1174084162.db2.gz PMDDACUMSLCAFQ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM CC(C)(F)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603158282 1175504964 /nfs/dbraw/zinc/50/49/64/1175504964.db2.gz ZEUOIMWTTWWZDA-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@@H]1COC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603949151 1175695581 /nfs/dbraw/zinc/69/55/81/1175695581.db2.gz VACOZBNWRLLNRN-GMSGAONNSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@@H](O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609128593 1164783081 /nfs/dbraw/zinc/78/30/81/1164783081.db2.gz QBAJSEGFEQXLLZ-JGVFFNPUSA-N -1 3 292.299 1.346 20 5 CDBDHM CC(=O)N1CCC(C)(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001067228109 734310141 /nfs/dbraw/zinc/31/01/41/734310141.db2.gz JARUVUJNPSWORI-UHFFFAOYSA-N -1 3 294.311 1.508 20 5 CDBDHM Cc1cc(S[C@@H](C)CO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609413209 1164938146 /nfs/dbraw/zinc/93/81/46/1164938146.db2.gz MNOVBRMHKLTEBM-ZETCQYMHSA-N -1 3 295.324 1.556 20 5 CDBDHM Cc1cc(S[C@@H](C)CO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609413209 1164938152 /nfs/dbraw/zinc/93/81/52/1164938152.db2.gz MNOVBRMHKLTEBM-ZETCQYMHSA-N -1 3 295.324 1.556 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2COC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000853468551 735894340 /nfs/dbraw/zinc/89/43/40/735894340.db2.gz YSCWQRVNGVYRRQ-VIFPVBQESA-N -1 3 295.295 1.793 20 5 CDBDHM CCCC(=O)NCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095459809 932520356 /nfs/dbraw/zinc/52/03/56/932520356.db2.gz RMUYIAUEFKQWNR-UHFFFAOYSA-N -1 3 296.327 1.438 20 5 CDBDHM COC(=O)c1cnc([N-]c2ccccc2[N+](=O)[O-])cn1 ZINC001206140389 939986017 /nfs/dbraw/zinc/98/60/17/939986017.db2.gz SFKFUMVGDQRBDN-UHFFFAOYSA-N -1 3 274.236 1.915 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CNCC3(F)F)[n-]c2c1 ZINC001218233399 941047464 /nfs/dbraw/zinc/04/74/64/941047464.db2.gz KSBCDSSAVUBTMK-SECBINFHSA-N -1 3 284.222 1.457 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CNCC3(F)F)nc2c1 ZINC001218233399 941047466 /nfs/dbraw/zinc/04/74/66/941047466.db2.gz KSBCDSSAVUBTMK-SECBINFHSA-N -1 3 284.222 1.457 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@@H]2COc3cnccc32)c2[n-]cnc21 ZINC001227692654 942205230 /nfs/dbraw/zinc/20/52/30/942205230.db2.gz BCUIDXXZHXGNKD-SNVBAGLBSA-N -1 3 299.246 1.774 20 5 CDBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CCN(C)C2)[n-]1 ZINC001231259487 942834662 /nfs/dbraw/zinc/83/46/62/942834662.db2.gz MUGUIPFBNJKOSO-QMMMGPOBSA-N -1 3 253.258 1.087 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCN(C)C2)n1 ZINC001231259487 942834669 /nfs/dbraw/zinc/83/46/69/942834669.db2.gz MUGUIPFBNJKOSO-QMMMGPOBSA-N -1 3 253.258 1.087 20 5 CDBDHM Cc1nc(Nc2cc([N+](=O)[O-])cnc2C)cc(=O)[n-]1 ZINC001249544102 949657439 /nfs/dbraw/zinc/65/74/39/949657439.db2.gz DUXSQDFJEQWWMY-UHFFFAOYSA-N -1 3 261.241 1.846 20 5 CDBDHM C[C@@H]1CCCN1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001594387103 999464052 /nfs/dbraw/zinc/46/40/52/999464052.db2.gz FOJYIWJXCMOPDW-SECBINFHSA-N -1 3 294.311 1.584 20 5 CDBDHM CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)[n-]1 ZINC000619447025 349718431 /nfs/dbraw/zinc/71/84/31/349718431.db2.gz IFRSGULSBUTICG-UHFFFAOYSA-N -1 3 293.239 1.075 20 5 CDBDHM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c[n-]1 ZINC000619447025 349718433 /nfs/dbraw/zinc/71/84/33/349718433.db2.gz IFRSGULSBUTICG-UHFFFAOYSA-N -1 3 293.239 1.075 20 5 CDBDHM O=c1[n-]ccc(Sc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000596071318 343225083 /nfs/dbraw/zinc/22/50/83/343225083.db2.gz YGHWEDNIIUNVDX-UHFFFAOYSA-N -1 3 279.281 1.842 20 5 CDBDHM COC(=O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596107493 343229154 /nfs/dbraw/zinc/22/91/54/343229154.db2.gz XOWXPBDTZVDTEF-QMMMGPOBSA-N -1 3 281.268 1.085 20 5 CDBDHM CCc1nnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596236307 343282790 /nfs/dbraw/zinc/28/27/90/343282790.db2.gz MGADAPBGFWKBOW-UHFFFAOYSA-N -1 3 281.297 1.721 20 5 CDBDHM C[C@H](C[C@@H]1CCOC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596161328 343255995 /nfs/dbraw/zinc/25/59/95/343255995.db2.gz UVYIGBJRPRFMPS-BDAKNGLRSA-N -1 3 267.285 1.922 20 5 CDBDHM CN(CC1(O)CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596171291 343258975 /nfs/dbraw/zinc/25/89/75/343258975.db2.gz CQSHRJXBJMGSQR-UHFFFAOYSA-N -1 3 267.285 1.437 20 5 CDBDHM CC(C)(C)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596217211 343269150 /nfs/dbraw/zinc/26/91/50/343269150.db2.gz PBQJWSSGUKGXDJ-JTQLQIEISA-N -1 3 281.312 1.947 20 5 CDBDHM C[C@H]1COCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596230261 343273319 /nfs/dbraw/zinc/27/33/19/343273319.db2.gz VHXOGHDUXCNEPV-DTWKUNHWSA-N -1 3 267.285 1.780 20 5 CDBDHM C[C@@H](CO)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596293942 343290423 /nfs/dbraw/zinc/29/04/23/343290423.db2.gz TXUSHYLRMGNCGG-VIFPVBQESA-N -1 3 281.312 1.540 20 5 CDBDHM C[C@@H]1CN(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596432264 343319815 /nfs/dbraw/zinc/31/98/15/343319815.db2.gz RRLWOKIKPGHCSS-VHSXEESVSA-N -1 3 296.327 1.217 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCN(CC(F)F)C2)c1[N+](=O)[O-] ZINC000596276350 343295950 /nfs/dbraw/zinc/29/59/50/343295950.db2.gz ACGCATYNOWIKEG-ZETCQYMHSA-N -1 3 288.254 1.447 20 5 CDBDHM CC[C@H](O)CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000291817799 529708397 /nfs/dbraw/zinc/70/83/97/529708397.db2.gz YXRVLIDKACNVHR-VIFPVBQESA-N -1 3 270.285 1.170 20 5 CDBDHM CN(C)CCn1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000057854504 348849003 /nfs/dbraw/zinc/84/90/03/348849003.db2.gz BCFPOWLOFXVUEJ-UHFFFAOYSA-N -1 3 276.300 1.492 20 5 CDBDHM CCn1c(C)nc([N+](=O)[O-])c1NCc1cnc(C)[n-]c1=O ZINC000361063509 357790765 /nfs/dbraw/zinc/79/07/65/357790765.db2.gz RODNACTUUIMXIX-UHFFFAOYSA-N -1 3 292.299 1.536 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000076308777 357979703 /nfs/dbraw/zinc/97/97/03/357979703.db2.gz FIFAFGPCXAYDHP-JTQLQIEISA-N -1 3 282.321 1.982 20 5 CDBDHM CSCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000235052913 359714623 /nfs/dbraw/zinc/71/46/23/359714623.db2.gz AZWUDLUEEWDIMM-MRVPVSSYSA-N -1 3 285.325 1.319 20 5 CDBDHM COc1ccc(CNC2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000147303436 361359778 /nfs/dbraw/zinc/35/97/78/361359778.db2.gz IKWMYKNHWCRSFA-UHFFFAOYSA-N -1 3 280.280 1.700 20 5 CDBDHM Cc1c(CC(=O)[N-]OCC2CC2)cccc1[N+](=O)[O-] ZINC000293799263 370803530 /nfs/dbraw/zinc/80/35/30/370803530.db2.gz PJLKOIOAGUDSEW-UHFFFAOYSA-N -1 3 264.281 1.904 20 5 CDBDHM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000272602788 367781902 /nfs/dbraw/zinc/78/19/02/367781902.db2.gz XVKFLXXMUZODGB-SECBINFHSA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1cscc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000164122450 371300808 /nfs/dbraw/zinc/30/08/08/371300808.db2.gz OSICTPKPQJIQDP-UHFFFAOYSA-N -1 3 252.255 1.940 20 5 CDBDHM NC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000423738713 246017077 /nfs/dbraw/zinc/01/70/77/246017077.db2.gz GNWIAJWKKPHEGQ-UHFFFAOYSA-N -1 3 271.660 1.384 20 5 CDBDHM CCO[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294233088 375809290 /nfs/dbraw/zinc/80/92/90/375809290.db2.gz BIVQDABOPUIYFQ-UHFFFAOYSA-N -1 3 266.253 1.625 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ncc(F)cc1F ZINC000190694939 378285513 /nfs/dbraw/zinc/28/55/13/378285513.db2.gz MKCNCFJEHIQSQB-UHFFFAOYSA-N -1 3 283.194 1.254 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1N1CCc2nc[n-]c(=O)c2C1 ZINC000269654272 391442181 /nfs/dbraw/zinc/44/21/81/391442181.db2.gz APICFQWNZYKUEQ-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C)N1 ZINC000436719552 391939324 /nfs/dbraw/zinc/93/93/24/391939324.db2.gz AHZQEBRASVKFEP-RKDXNWHRSA-N -1 3 279.296 1.123 20 5 CDBDHM O=C(NCCN1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269203445 132130470 /nfs/dbraw/zinc/13/04/70/132130470.db2.gz SISPFNDRUUGLTP-UHFFFAOYSA-N -1 3 293.323 1.516 20 5 CDBDHM C[C@@H]1CCN[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000235310531 140234254 /nfs/dbraw/zinc/23/42/54/140234254.db2.gz CJGBQOJKDQKKRA-LDYMZIIASA-N -1 3 279.296 1.627 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)O ZINC001589983307 1173220295 /nfs/dbraw/zinc/22/02/95/1173220295.db2.gz VUWKZOBWJNUOOT-SSDOTTSWSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)O ZINC001589983307 1173220307 /nfs/dbraw/zinc/22/03/07/1173220307.db2.gz VUWKZOBWJNUOOT-SSDOTTSWSA-N -1 3 292.299 1.346 20 5 CDBDHM CC1(C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590113856 1173263341 /nfs/dbraw/zinc/26/33/41/1173263341.db2.gz XTTZNFRCRLSLHB-JTQLQIEISA-N -1 3 274.284 1.985 20 5 CDBDHM O=C([N-]c1nncs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000075816273 280069682 /nfs/dbraw/zinc/06/96/82/280069682.db2.gz RDKLCMIWOBRBLG-UHFFFAOYSA-N -1 3 290.264 1.575 20 5 CDBDHM COc1cc(CN(C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000584297185 327228166 /nfs/dbraw/zinc/22/81/66/327228166.db2.gz ZIMLQJHSSOSXRM-VIFPVBQESA-N -1 3 282.296 1.756 20 5 CDBDHM CC(C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768786998 576308353 /nfs/dbraw/zinc/30/83/53/576308353.db2.gz BNPJRXCEEHPDAF-UHFFFAOYSA-N -1 3 250.301 1.343 20 5 CDBDHM Cc1[nH]nc(C(=O)[N-]c2nc3cc[nH]cc-3n2)c1[N+](=O)[O-] ZINC000760948900 576528486 /nfs/dbraw/zinc/52/84/86/576528486.db2.gz HKZVHPITMLDSNK-UHFFFAOYSA-N -1 3 287.239 1.150 20 5 CDBDHM COCCSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821694357 599358081 /nfs/dbraw/zinc/35/80/81/599358081.db2.gz JPTBTCJKTNNVAK-UHFFFAOYSA-N -1 3 281.297 1.513 20 5 CDBDHM COCCSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821694357 599358083 /nfs/dbraw/zinc/35/80/83/599358083.db2.gz JPTBTCJKTNNVAK-UHFFFAOYSA-N -1 3 281.297 1.513 20 5 CDBDHM CC(C)(NCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000087625549 599926428 /nfs/dbraw/zinc/92/64/28/599926428.db2.gz APTNHFGUCGERHE-UHFFFAOYSA-N -1 3 256.233 1.687 20 5 CDBDHM CC1CC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820668984 606422022 /nfs/dbraw/zinc/42/20/22/606422022.db2.gz XZEDMCOSOOMWLN-UHFFFAOYSA-N -1 3 275.272 1.380 20 5 CDBDHM CC1CC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820668984 606422023 /nfs/dbraw/zinc/42/20/23/606422023.db2.gz XZEDMCOSOOMWLN-UHFFFAOYSA-N -1 3 275.272 1.380 20 5 CDBDHM CC(C)C1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000824226261 607810819 /nfs/dbraw/zinc/81/08/19/607810819.db2.gz WWKQVUKXIDXIHJ-UHFFFAOYSA-N -1 3 288.311 1.867 20 5 CDBDHM CC(C)C1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000824226261 607810820 /nfs/dbraw/zinc/81/08/20/607810820.db2.gz WWKQVUKXIDXIHJ-UHFFFAOYSA-N -1 3 288.311 1.867 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H]2C[C@@H]21 ZINC001607082803 1164072680 /nfs/dbraw/zinc/07/26/80/1164072680.db2.gz SYTYFSUBRANSCM-KCJUWKMLSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H]2C[C@@H]21 ZINC001607082803 1164072688 /nfs/dbraw/zinc/07/26/88/1164072688.db2.gz SYTYFSUBRANSCM-KCJUWKMLSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccncc1 ZINC001607084611 1164073264 /nfs/dbraw/zinc/07/32/64/1164073264.db2.gz PNEPXDMRMIAYHN-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccncc1 ZINC001607084611 1164073271 /nfs/dbraw/zinc/07/32/71/1164073271.db2.gz PNEPXDMRMIAYHN-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1cnc([N+](=O)[O-])c1 ZINC001609388669 1164922889 /nfs/dbraw/zinc/92/28/89/1164922889.db2.gz CCJKFZMMWOLPOZ-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1cnc([N+](=O)[O-])c1 ZINC001609388669 1164922895 /nfs/dbraw/zinc/92/28/95/1164922895.db2.gz CCJKFZMMWOLPOZ-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H]1C1CC1 ZINC001593467815 1174077989 /nfs/dbraw/zinc/07/79/89/1174077989.db2.gz DNKRHNHTSVYAKO-SNVBAGLBSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H]1C1CC1 ZINC001593467815 1174077998 /nfs/dbraw/zinc/07/79/98/1174077998.db2.gz DNKRHNHTSVYAKO-SNVBAGLBSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@@H]2CCC[C@H]2O)ccc1-c1nnn[n-]1 ZINC001593474866 1174080657 /nfs/dbraw/zinc/08/06/57/1174080657.db2.gz UWNYOCMAOWSXTD-MWLCHTKSSA-N -1 3 290.283 1.100 20 5 CDBDHM C[C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603950152 1175695128 /nfs/dbraw/zinc/69/51/28/1175695128.db2.gz ZUUYSUVTMSXQIN-WRWORJQWSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603950152 1175695131 /nfs/dbraw/zinc/69/51/31/1175695131.db2.gz ZUUYSUVTMSXQIN-WRWORJQWSA-N -1 3 290.283 1.222 20 5 CDBDHM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OCC1CCC1 ZINC000856342905 738969534 /nfs/dbraw/zinc/96/95/34/738969534.db2.gz PNRYVVBLEHXYOY-UHFFFAOYSA-N -1 3 264.281 1.985 20 5 CDBDHM CCC(=O)N1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057076003 739039677 /nfs/dbraw/zinc/03/96/77/739039677.db2.gz NDMJTIKLPVVJBB-UHFFFAOYSA-N -1 3 294.311 1.144 20 5 CDBDHM Cc1nccn1CC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000776858680 928523027 /nfs/dbraw/zinc/52/30/27/928523027.db2.gz HGHOGAQAXVKRHE-UHFFFAOYSA-N -1 3 288.263 1.056 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001156277539 938344780 /nfs/dbraw/zinc/34/47/80/938344780.db2.gz GTOGUOMDXWDCMV-SSDOTTSWSA-N -1 3 297.702 1.567 20 5 CDBDHM Cc1ncc(Nc2ccc3c(cccc3[N+](=O)[O-])n2)c(=O)[n-]1 ZINC001162302208 938975357 /nfs/dbraw/zinc/97/53/57/938975357.db2.gz YGVHXCJNZJPJNE-LLVKDONJSA-N -1 3 297.274 1.953 20 5 CDBDHM O=C1Cc2cc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])ccc2N1 ZINC001162537184 939079568 /nfs/dbraw/zinc/07/95/68/939079568.db2.gz QLGGRMZQJOIPDV-UHFFFAOYSA-N -1 3 286.247 1.934 20 5 CDBDHM Cc1[nH]ncc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001162890385 939158594 /nfs/dbraw/zinc/15/85/94/939158594.db2.gz PFGJTUXESLLAPP-UHFFFAOYSA-N -1 3 290.279 1.604 20 5 CDBDHM Cc1c(F)cnc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001164370577 939465874 /nfs/dbraw/zinc/46/58/74/939465874.db2.gz HFGHSFCSSWCNGV-QMMMGPOBSA-N -1 3 295.274 1.361 20 5 CDBDHM Cc1cnc(NCCCc2c[n-][nH]c2=O)cc1[N+](=O)[O-] ZINC001164382427 939468772 /nfs/dbraw/zinc/46/87/72/939468772.db2.gz NVHJXNRMZPICCW-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM Cc1cc([N+](=O)[O-])cc(NCCCc2c[n-][nH]c2=O)c1F ZINC001164394528 939469833 /nfs/dbraw/zinc/46/98/33/939469833.db2.gz FSXJYKAAKLHWIN-SECBINFHSA-N -1 3 294.286 1.966 20 5 CDBDHM O=C1CCCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663242 941895792 /nfs/dbraw/zinc/89/57/92/941895792.db2.gz ATAXYKUIYLMHPC-VIFPVBQESA-N -1 3 252.226 1.586 20 5 CDBDHM Cc1cc2[n-]c(OC[C@H]3COCO3)nc2cc1[N+](=O)[O-] ZINC001228674190 942353609 /nfs/dbraw/zinc/35/36/09/942353609.db2.gz ITDZOWAHCZFWRD-MRVPVSSYSA-N -1 3 279.252 1.531 20 5 CDBDHM C[C@H]1C[C@@H]1c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC001256710500 948404098 /nfs/dbraw/zinc/40/40/98/948404098.db2.gz WPLXQNNVHZBICA-FSPLSTOPSA-N -1 3 262.225 1.869 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCC(=O)[O-] ZINC001594381165 958622814 /nfs/dbraw/zinc/62/28/14/958622814.db2.gz MHSKNMPSHHAGID-JTQLQIEISA-N -1 3 282.296 1.655 20 5 CDBDHM CN1CCC[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000225811873 959864143 /nfs/dbraw/zinc/86/41/43/959864143.db2.gz JJDPQHKQHVGNHG-VIFPVBQESA-N -1 3 280.284 1.194 20 5 CDBDHM CC(C)(C(=O)[O-])[C@@H](NCC[N+](=O)[O-])c1ccccc1 ZINC001589601874 987429431 /nfs/dbraw/zinc/42/94/31/987429431.db2.gz SHXKBTDUXNEBKR-NSHDSACASA-N -1 3 266.297 1.705 20 5 CDBDHM CC(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070263536 361874257 /nfs/dbraw/zinc/87/42/57/361874257.db2.gz QBYYENNOXQEMBS-UHFFFAOYSA-N -1 3 278.717 1.935 20 5 CDBDHM CC[C@@](C)(O)Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594651628 342933128 /nfs/dbraw/zinc/93/31/28/342933128.db2.gz FAOWNEBRTUREQL-CYBMUJFWSA-N -1 3 292.295 1.585 20 5 CDBDHM CS[C@@H](CO)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596133882 343239437 /nfs/dbraw/zinc/23/94/37/343239437.db2.gz AOVUJHUTNQCBBK-XPUUQOCRSA-N -1 3 273.314 1.220 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000596182007 343250348 /nfs/dbraw/zinc/25/03/48/343250348.db2.gz JOESZRZECVANBM-ZANVPECISA-N -1 3 295.295 1.445 20 5 CDBDHM O=c1[n-]ccc(NCCCCn2ccnc2)c1[N+](=O)[O-] ZINC000596184004 343251002 /nfs/dbraw/zinc/25/10/02/343251002.db2.gz CWDZMIDENSHOCM-UHFFFAOYSA-N -1 3 277.284 1.784 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCc3c[nH]nc3C2)c1[N+](=O)[O-] ZINC000596160197 343255747 /nfs/dbraw/zinc/25/57/47/343255747.db2.gz ASBSXDNDLILWRF-QMMMGPOBSA-N -1 3 275.268 1.388 20 5 CDBDHM CN(CCC1CCOCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596160785 343255969 /nfs/dbraw/zinc/25/59/69/343255969.db2.gz HFAJOMXHGAYPAC-UHFFFAOYSA-N -1 3 281.312 1.948 20 5 CDBDHM O=c1[n-]ccc(NCc2nnc(C3CC3)[nH]2)c1[N+](=O)[O-] ZINC000596251070 343274468 /nfs/dbraw/zinc/27/44/68/343274468.db2.gz YXWBPPDMAQPPIE-UHFFFAOYSA-N -1 3 276.256 1.303 20 5 CDBDHM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000140294701 342434325 /nfs/dbraw/zinc/43/43/25/342434325.db2.gz IILAUCRXBWCWPP-UHFFFAOYSA-N -1 3 251.202 1.175 20 5 CDBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000076302758 357978633 /nfs/dbraw/zinc/97/86/33/357978633.db2.gz HADLZMLEGQEHKO-MRVPVSSYSA-N -1 3 290.366 1.625 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1=CCCOC1 ZINC000287503248 358665027 /nfs/dbraw/zinc/66/50/27/358665027.db2.gz RWBMDAMQNDDMKP-UHFFFAOYSA-N -1 3 298.320 1.220 20 5 CDBDHM COc1cc(CN(C)[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000570649919 294280774 /nfs/dbraw/zinc/28/07/74/294280774.db2.gz NLYRJHJQZHCFDH-SECBINFHSA-N -1 3 282.296 1.898 20 5 CDBDHM CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272344802 367684250 /nfs/dbraw/zinc/68/42/50/367684250.db2.gz BHCUENUJHXVHEH-UHFFFAOYSA-N -1 3 291.307 1.292 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2noc(-c3ccccc3[O-])n2)cn1 ZINC000368782166 374328665 /nfs/dbraw/zinc/32/86/65/374328665.db2.gz RRVUNFHJAQUZPG-UHFFFAOYSA-N -1 3 287.235 1.595 20 5 CDBDHM CN1CCC[C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162401960 375129713 /nfs/dbraw/zinc/12/97/13/375129713.db2.gz XSIWESVCZLNLCI-SECBINFHSA-N -1 3 294.311 1.442 20 5 CDBDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1[O-] ZINC000132343131 375456978 /nfs/dbraw/zinc/45/69/78/375456978.db2.gz NQLFVITWYZJOPJ-UHFFFAOYSA-N -1 3 289.247 1.101 20 5 CDBDHM Cc1nnc(N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000427738005 247185742 /nfs/dbraw/zinc/18/57/42/247185742.db2.gz ZAVXIWWDBZJIOE-UHFFFAOYSA-N -1 3 295.280 1.132 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ncc([N+](=O)[O-])s1)CC2 ZINC000336980254 285179016 /nfs/dbraw/zinc/17/90/16/285179016.db2.gz CMGYGWSHRNAIFK-UHFFFAOYSA-N -1 3 279.281 1.110 20 5 CDBDHM CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1 ZINC000592248430 392097245 /nfs/dbraw/zinc/09/72/45/392097245.db2.gz ZOSGZYINQKJKGI-LLVKDONJSA-N -1 3 293.323 1.370 20 5 CDBDHM Cc1noc(C)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596091529 392620978 /nfs/dbraw/zinc/62/09/78/392620978.db2.gz MJWXOVRJZGIHPT-UHFFFAOYSA-N -1 3 264.241 1.912 20 5 CDBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000330685023 393144922 /nfs/dbraw/zinc/14/49/22/393144922.db2.gz KXVAKSOMPIUIGC-TVQRCGJNSA-N -1 3 266.297 1.958 20 5 CDBDHM O=C(Nc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186742501 140068126 /nfs/dbraw/zinc/06/81/26/140068126.db2.gz AEAIJYSSNAIYNV-UHFFFAOYSA-N -1 3 259.221 1.948 20 5 CDBDHM C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCN1 ZINC000235391009 140234259 /nfs/dbraw/zinc/23/42/59/140234259.db2.gz LTGPAUUIYOUCOI-ZDUSSCGKSA-N -1 3 279.296 1.771 20 5 CDBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])cc1F ZINC000121829033 147384950 /nfs/dbraw/zinc/38/49/50/147384950.db2.gz BOJJZFQPGZSXGQ-UHFFFAOYSA-N -1 3 292.226 1.669 20 5 CDBDHM CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000354123369 156278222 /nfs/dbraw/zinc/27/82/22/156278222.db2.gz WINOBEDDRNJJLF-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000354123369 156278225 /nfs/dbraw/zinc/27/82/25/156278225.db2.gz WINOBEDDRNJJLF-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM CSc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000354123369 156278226 /nfs/dbraw/zinc/27/82/26/156278226.db2.gz WINOBEDDRNJJLF-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM COCCCO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285669984 196360841 /nfs/dbraw/zinc/36/08/41/196360841.db2.gz NHUVXCBMIUHHGK-UHFFFAOYSA-N -1 3 269.257 1.684 20 5 CDBDHM CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1 ZINC000220941566 289057666 /nfs/dbraw/zinc/05/76/66/289057666.db2.gz FTNVOMOSBSTMRS-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM CN1CCC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000183589775 323342230 /nfs/dbraw/zinc/34/22/30/323342230.db2.gz AVQPXBJDVHDULO-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM O=C([O-])[C@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000054523478 526314448 /nfs/dbraw/zinc/31/44/48/526314448.db2.gz CFPITUSGAGCEKE-LLVKDONJSA-N -1 3 250.254 1.548 20 5 CDBDHM CC(C)[C@H](CN(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770545371 575463914 /nfs/dbraw/zinc/46/39/14/575463914.db2.gz MIWLMLPIWCOXAC-JTQLQIEISA-N -1 3 296.327 1.011 20 5 CDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736279041 575610455 /nfs/dbraw/zinc/61/04/55/575610455.db2.gz JQEWVWIQOMJSCR-ZETCQYMHSA-N -1 3 275.272 1.016 20 5 CDBDHM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736279041 575610457 /nfs/dbraw/zinc/61/04/57/575610457.db2.gz JQEWVWIQOMJSCR-ZETCQYMHSA-N -1 3 275.272 1.016 20 5 CDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cocn2)cs1 ZINC000768838302 576312164 /nfs/dbraw/zinc/31/21/64/576312164.db2.gz RXQFHDLBNFGXGF-UHFFFAOYSA-N -1 3 289.294 1.123 20 5 CDBDHM CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820989380 606726450 /nfs/dbraw/zinc/72/64/50/606726450.db2.gz RIBPAIUDHQCRPD-MRVPVSSYSA-N -1 3 289.299 1.406 20 5 CDBDHM CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820989380 606726451 /nfs/dbraw/zinc/72/64/51/606726451.db2.gz RIBPAIUDHQCRPD-MRVPVSSYSA-N -1 3 289.299 1.406 20 5 CDBDHM Cc1cc(N[C@H](C)CCO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605721278 1163650598 /nfs/dbraw/zinc/65/05/98/1163650598.db2.gz TVFYHBMNSYMARS-MRVPVSSYSA-N -1 3 292.299 1.266 20 5 CDBDHM Cc1cc(N[C@H](C)CCO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605721278 1163650602 /nfs/dbraw/zinc/65/06/02/1163650602.db2.gz TVFYHBMNSYMARS-MRVPVSSYSA-N -1 3 292.299 1.266 20 5 CDBDHM Cc1noc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001608028223 1164383052 /nfs/dbraw/zinc/38/30/52/1164383052.db2.gz VSJZMQULUGXRSJ-AUTRQRHGSA-N -1 3 295.295 1.576 20 5 CDBDHM C[C@@H](Sc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](C)O ZINC001609128916 1164786154 /nfs/dbraw/zinc/78/61/54/1164786154.db2.gz VCQGMCZLFXYDEU-NTSWFWBYSA-N -1 3 296.312 1.031 20 5 CDBDHM C[C@@H](Sc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](C)O ZINC001609128916 1164786162 /nfs/dbraw/zinc/78/61/62/1164786162.db2.gz VCQGMCZLFXYDEU-NTSWFWBYSA-N -1 3 296.312 1.031 20 5 CDBDHM O=[N+]([O-])c1ccc(NC2(CCO)CC2)c(-c2nnn[n-]2)c1 ZINC001609601958 1165001606 /nfs/dbraw/zinc/00/16/06/1165001606.db2.gz JPUHRQRAVWJBAQ-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM O=[N+]([O-])c1ccc(NC2(CCO)CC2)c(-c2nn[n-]n2)c1 ZINC001609601958 1165001610 /nfs/dbraw/zinc/00/16/10/1165001610.db2.gz JPUHRQRAVWJBAQ-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM Cc1cc(Oc2cc(-c3nnn[n-]3)cnn2)ccc1[N+](=O)[O-] ZINC001581042284 1172582802 /nfs/dbraw/zinc/58/28/02/1172582802.db2.gz AWYNKGAXRLNYFU-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1cc(Oc2cc(-c3nn[n-]n3)cnn2)ccc1[N+](=O)[O-] ZINC001581042284 1172582806 /nfs/dbraw/zinc/58/28/06/1172582806.db2.gz AWYNKGAXRLNYFU-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM C[C@@H](O)C1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589993830 1173226036 /nfs/dbraw/zinc/22/60/36/1173226036.db2.gz CJPGOFNTQUCZCX-SSDOTTSWSA-N -1 3 290.283 1.100 20 5 CDBDHM C[C@@H](O)C1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589993830 1173226045 /nfs/dbraw/zinc/22/60/45/1173226045.db2.gz CJPGOFNTQUCZCX-SSDOTTSWSA-N -1 3 290.283 1.100 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590312487 1173347584 /nfs/dbraw/zinc/34/75/84/1173347584.db2.gz OGFMGJSJAQWOJR-JGVFFNPUSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590312487 1173347591 /nfs/dbraw/zinc/34/75/91/1173347591.db2.gz OGFMGJSJAQWOJR-JGVFFNPUSA-N -1 3 274.284 1.620 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](C2OCCO2)C1 ZINC000931997625 739803535 /nfs/dbraw/zinc/80/35/35/739803535.db2.gz LPIRDUIQHZEXHG-SNVBAGLBSA-N -1 3 294.307 1.495 20 5 CDBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000931321979 741615809 /nfs/dbraw/zinc/61/58/09/741615809.db2.gz VXOCCQJSMBEJSN-UHFFFAOYSA-N -1 3 286.291 1.915 20 5 CDBDHM CC(=O)NCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057782664 742791296 /nfs/dbraw/zinc/79/12/96/742791296.db2.gz NYUHJZLMUDOTEH-UHFFFAOYSA-N -1 3 294.311 1.048 20 5 CDBDHM Cc1ncc(Nc2ncc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297760 922192730 /nfs/dbraw/zinc/19/27/30/922192730.db2.gz IHPSGUVAUPHWHP-SSDOTTSWSA-N -1 3 281.659 1.453 20 5 CDBDHM CCOC(=O)c1c(N)ccn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801178 925867531 /nfs/dbraw/zinc/86/75/31/925867531.db2.gz AZVNBQYHXSZKEK-UHFFFAOYSA-N -1 3 291.263 1.850 20 5 CDBDHM Cc1c(=O)[n-]cnc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226072088 941948313 /nfs/dbraw/zinc/94/83/13/941948313.db2.gz YDFARUVSGKTEFH-GFCCVEGCSA-N -1 3 287.275 1.945 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc[n-]c(=O)c1C ZINC001226076560 941949206 /nfs/dbraw/zinc/94/92/06/941949206.db2.gz MOZOHHOBBLSGKW-ZETCQYMHSA-N -1 3 293.283 1.371 20 5 CDBDHM Cc1nnc(=O)[n-]c1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226461216 942008472 /nfs/dbraw/zinc/00/84/72/942008472.db2.gz LKPAVCNRITWRSP-NSHDSACASA-N -1 3 288.263 1.340 20 5 CDBDHM CC(COC(=O)[C@@H](C(=O)[O-])C1CCCC1)[N+](=O)[O-] ZINC001589075742 955809532 /nfs/dbraw/zinc/80/95/32/955809532.db2.gz UCEHMLPNCPOSGN-VXNVDRBHSA-N -1 3 259.258 1.086 20 5 CDBDHM Cc1cncc([N+](=O)[O-])c1N1CCc2nc[n-]c(=O)c2C1 ZINC001323959612 961072478 /nfs/dbraw/zinc/07/24/78/961072478.db2.gz FTRMIKVLHDYGRH-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM CN1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001598623116 994041663 /nfs/dbraw/zinc/04/16/63/994041663.db2.gz XASOWVUZUNLEAV-SECBINFHSA-N -1 3 297.286 1.187 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000601195241 342488825 /nfs/dbraw/zinc/48/88/25/342488825.db2.gz IGEHTZMLMRNALY-VIFPVBQESA-N -1 3 262.269 1.519 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CNCCCC(=O)[O-] ZINC000515176258 362085282 /nfs/dbraw/zinc/08/52/82/362085282.db2.gz FZHZXIONGSOIJH-UHFFFAOYSA-N -1 3 282.296 1.948 20 5 CDBDHM O=c1[n-]ccc(NCC2(O)CCCC2)c1[N+](=O)[O-] ZINC000596087356 343232887 /nfs/dbraw/zinc/23/28/87/343232887.db2.gz MVCTVPUZUYFUQH-UHFFFAOYSA-N -1 3 253.258 1.412 20 5 CDBDHM O=c1[n-]ccc(N2CCc3ncsc3C2)c1[N+](=O)[O-] ZINC000596203894 343264530 /nfs/dbraw/zinc/26/45/30/343264530.db2.gz QNHYBGPDHDNVDS-UHFFFAOYSA-N -1 3 278.293 1.715 20 5 CDBDHM CCOC1CC(O)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596212398 343267905 /nfs/dbraw/zinc/26/79/05/343267905.db2.gz FBFFORBFDYPXEU-UHFFFAOYSA-N -1 3 283.284 1.037 20 5 CDBDHM CN(CCCCCO)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596214955 343268556 /nfs/dbraw/zinc/26/85/56/343268556.db2.gz NVQWGBVMOLOLNY-UHFFFAOYSA-N -1 3 255.274 1.294 20 5 CDBDHM CCn1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596230278 343273208 /nfs/dbraw/zinc/27/32/08/343273208.db2.gz VSGCSRQDIHEKRW-UHFFFAOYSA-N -1 3 263.257 1.524 20 5 CDBDHM CC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[S@@]1=O ZINC000596257417 343276532 /nfs/dbraw/zinc/27/65/32/343276532.db2.gz OBHIQAAYEWFTJV-FQEVSTJZSA-N -1 3 299.352 1.433 20 5 CDBDHM Cc1n[nH]c(C)c1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596259138 343277206 /nfs/dbraw/zinc/27/72/06/343277206.db2.gz RNXQWHXQUCFCKD-UHFFFAOYSA-N -1 3 277.284 1.690 20 5 CDBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ccsc1[N+](=O)[O-])C2 ZINC000603415618 344807034 /nfs/dbraw/zinc/80/70/34/344807034.db2.gz HHAFGDNKLQIKCI-UHFFFAOYSA-N -1 3 278.293 1.981 20 5 CDBDHM O=C([N-]c1nn2cnnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000603467495 344809390 /nfs/dbraw/zinc/80/93/90/344809390.db2.gz NVVJQPQQLGUBHJ-UHFFFAOYSA-N -1 3 290.264 1.346 20 5 CDBDHM Cc1ncc(CNCc2csc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000344338222 362571891 /nfs/dbraw/zinc/57/18/91/362571891.db2.gz WIJPBBDGBRARMF-UHFFFAOYSA-N -1 3 280.309 1.750 20 5 CDBDHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000092939763 351302013 /nfs/dbraw/zinc/30/20/13/351302013.db2.gz SSARDNNGKZVAED-ONGXEEELSA-N -1 3 294.307 1.898 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])cc1F ZINC000436533627 358759206 /nfs/dbraw/zinc/75/92/06/358759206.db2.gz GUEBGILIUXNIJS-UHFFFAOYSA-N -1 3 280.215 1.425 20 5 CDBDHM COc1cc(CNC[C@H]2CCCO2)c([N+](=O)[O-])cc1[O-] ZINC000101588951 358853691 /nfs/dbraw/zinc/85/36/91/358853691.db2.gz RCDSUTWPHCNLRC-SNVBAGLBSA-N -1 3 282.296 1.578 20 5 CDBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCN(C)CC1 ZINC000179380466 366533375 /nfs/dbraw/zinc/53/33/75/366533375.db2.gz SMQLLUIBYGAGFX-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM COCCO[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000381473795 359049980 /nfs/dbraw/zinc/04/99/80/359049980.db2.gz AUYMALQGZJIJKS-WAYWQWQTSA-N -1 3 266.253 1.302 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2F)cc1 ZINC000339126113 359296727 /nfs/dbraw/zinc/29/67/27/359296727.db2.gz FPUFWSJVRYFDLY-QWRGUYRKSA-N -1 3 288.300 1.764 20 5 CDBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]OC(C)(C)CO ZINC000296826543 200007569 /nfs/dbraw/zinc/00/75/69/200007569.db2.gz GJFHSUUELJIPEZ-UHFFFAOYSA-N -1 3 298.295 1.426 20 5 CDBDHM C[C@@H](N)[C@@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420268447 296021706 /nfs/dbraw/zinc/02/17/06/296021706.db2.gz SDMMNSFVEQPBHQ-HTQZYQBOSA-N -1 3 277.284 1.214 20 5 CDBDHM O=C(NCCN1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179430976 189194228 /nfs/dbraw/zinc/19/42/28/189194228.db2.gz OQGYQJUFOVFJPJ-UHFFFAOYSA-N -1 3 293.323 1.516 20 5 CDBDHM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2N)s1 ZINC000180514952 365011906 /nfs/dbraw/zinc/01/19/06/365011906.db2.gz YPKXNUMSOMEBGX-UHFFFAOYSA-N -1 3 294.296 1.238 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]OC2CCCC2)c1[N+](=O)[O-] ZINC000272092114 367082191 /nfs/dbraw/zinc/08/21/91/367082191.db2.gz JORLNSJVWYXWJL-UHFFFAOYSA-N -1 3 268.273 1.484 20 5 CDBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c([O-])c1 ZINC000348505096 367430567 /nfs/dbraw/zinc/43/05/67/367430567.db2.gz GFONXJJAWLLEOE-UHFFFAOYSA-N -1 3 262.225 1.584 20 5 CDBDHM CC[C@H](C)CO[N-]C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000293782118 370582145 /nfs/dbraw/zinc/58/21/45/370582145.db2.gz RRYHHGFGSTVOOK-ZETCQYMHSA-N -1 3 270.289 1.344 20 5 CDBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C ZINC000356614152 372985282 /nfs/dbraw/zinc/98/52/82/372985282.db2.gz UCBXZCSFTXITKY-KOLCDFICSA-N -1 3 293.323 1.513 20 5 CDBDHM COc1cc(CNc2cccnn2)c([N+](=O)[O-])cc1[O-] ZINC000191164663 373435060 /nfs/dbraw/zinc/43/50/60/373435060.db2.gz FWEGYFDQIIWXSJ-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM COc1cc(CN[C@H](C)CF)c([N+](=O)[O-])cc1[O-] ZINC000288506853 197098474 /nfs/dbraw/zinc/09/84/74/197098474.db2.gz SNKHFCWADLMCQQ-SSDOTTSWSA-N -1 3 258.249 1.757 20 5 CDBDHM CCOCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000048671198 390452858 /nfs/dbraw/zinc/45/28/58/390452858.db2.gz MWEBQBVUJBEGDH-UHFFFAOYSA-N -1 3 288.325 1.218 20 5 CDBDHM Cc1c[nH]c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n1 ZINC000137082328 391177026 /nfs/dbraw/zinc/17/70/26/391177026.db2.gz GAUWORACYNKMIB-UHFFFAOYSA-N -1 3 286.251 1.755 20 5 CDBDHM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCN(C)CC1 ZINC000183289859 391187408 /nfs/dbraw/zinc/18/74/08/391187408.db2.gz NARILINNKWAENS-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM O=C([N-]OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000191796097 130305590 /nfs/dbraw/zinc/30/55/90/130305590.db2.gz KISJTHIYQBKMTR-QMMMGPOBSA-N -1 3 284.243 1.432 20 5 CDBDHM Cc1ncc(CNC(=O)c2csc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000345120434 152741859 /nfs/dbraw/zinc/74/18/59/152741859.db2.gz IGROPCKEZODXIY-UHFFFAOYSA-N -1 3 294.292 1.390 20 5 CDBDHM CCN(C)CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359485353 158261342 /nfs/dbraw/zinc/26/13/42/158261342.db2.gz YZQJLMFOLIOGNC-UHFFFAOYSA-N -1 3 291.311 1.430 20 5 CDBDHM C[C@@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)N ZINC000420268449 286928569 /nfs/dbraw/zinc/92/85/69/286928569.db2.gz SDMMNSFVEQPBHQ-JGVFFNPUSA-N -1 3 277.284 1.214 20 5 CDBDHM CC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1 ZINC000183018840 281221356 /nfs/dbraw/zinc/22/13/56/281221356.db2.gz UDTBSNYYTOXQHW-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184659281 526308205 /nfs/dbraw/zinc/30/82/05/526308205.db2.gz UWJBAODCNZFCGS-UHFFFAOYSA-N -1 3 293.323 1.516 20 5 CDBDHM CCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000233291701 535348594 /nfs/dbraw/zinc/34/85/94/535348594.db2.gz JJBNTWPMFLIGPU-MRVPVSSYSA-N -1 3 253.258 1.366 20 5 CDBDHM CN1CC[C@H](C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737508367 575979121 /nfs/dbraw/zinc/97/91/21/575979121.db2.gz IZZYKZZWXHEVDX-QMMMGPOBSA-N -1 3 293.279 1.183 20 5 CDBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cncnc1 ZINC000760468973 576486115 /nfs/dbraw/zinc/48/61/15/576486115.db2.gz WQGNKRUWLOLVCY-UHFFFAOYSA-N -1 3 262.200 1.776 20 5 CDBDHM C[C@H](CCCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820243230 606730602 /nfs/dbraw/zinc/73/06/02/606730602.db2.gz YNPPZBPEESWKKD-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@H](CCCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820243230 606730604 /nfs/dbraw/zinc/73/06/04/606730604.db2.gz YNPPZBPEESWKKD-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170573825 1162974438 /nfs/dbraw/zinc/97/44/38/1162974438.db2.gz KZSSNBKRYXQYNK-PRHODGIISA-N -1 3 295.295 1.082 20 5 CDBDHM Cc1ccc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001605879194 1163704851 /nfs/dbraw/zinc/70/48/51/1163704851.db2.gz FONVURLHYXUVAA-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1ccc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001605879194 1163704854 /nfs/dbraw/zinc/70/48/54/1163704854.db2.gz FONVURLHYXUVAA-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM C[C@@H]1CC[C@@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609163026 1164809342 /nfs/dbraw/zinc/80/93/42/1164809342.db2.gz QBDBLGLLMKAIJF-APPZFPTMSA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@@H]1CC[C@@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609163026 1164809348 /nfs/dbraw/zinc/80/93/48/1164809348.db2.gz QBDBLGLLMKAIJF-APPZFPTMSA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589995707 1173227111 /nfs/dbraw/zinc/22/71/11/1173227111.db2.gz LOUDQHCIAOHNHF-RNFRBKRXSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589995707 1173227115 /nfs/dbraw/zinc/22/71/15/1173227115.db2.gz LOUDQHCIAOHNHF-RNFRBKRXSA-N -1 3 295.324 1.636 20 5 CDBDHM CCC[C@@H]1C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590654243 1173484405 /nfs/dbraw/zinc/48/44/05/1173484405.db2.gz VHOIMHCMFAHFIT-VXNVDRBHSA-N -1 3 289.299 1.770 20 5 CDBDHM CCC[C@@H]1C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590654243 1173484412 /nfs/dbraw/zinc/48/44/12/1173484412.db2.gz VHOIMHCMFAHFIT-VXNVDRBHSA-N -1 3 289.299 1.770 20 5 CDBDHM CO[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591323952 1173609104 /nfs/dbraw/zinc/60/91/04/1173609104.db2.gz GUAQSJOHUWFSKJ-SFYZADRCSA-N -1 3 292.299 1.610 20 5 CDBDHM CO[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591323952 1173609107 /nfs/dbraw/zinc/60/91/07/1173609107.db2.gz GUAQSJOHUWFSKJ-SFYZADRCSA-N -1 3 292.299 1.610 20 5 CDBDHM O=[N+]([O-])c1cc(NC2CCC2)ccc1-c1nnn[n-]1 ZINC001593473481 1174082385 /nfs/dbraw/zinc/08/23/85/1174082385.db2.gz DUTVOFIUVURHMH-UHFFFAOYSA-N -1 3 260.257 1.739 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCCCCO1 ZINC001593476501 1174082636 /nfs/dbraw/zinc/08/26/36/1174082636.db2.gz XSDNDXHMBASRDM-UHFFFAOYSA-N -1 3 290.283 1.697 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCCCCO1 ZINC001593476501 1174082645 /nfs/dbraw/zinc/08/26/45/1174082645.db2.gz XSDNDXHMBASRDM-UHFFFAOYSA-N -1 3 290.283 1.697 20 5 CDBDHM O=[N+]([O-])c1ccccc1CNc1ncncc1-c1nnn[n-]1 ZINC001593485147 1174084282 /nfs/dbraw/zinc/08/42/82/1174084282.db2.gz JONMJFAGRKTOTL-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001593487940 1174084297 /nfs/dbraw/zinc/08/42/97/1174084297.db2.gz VRUJCJCSIZUSSW-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001593487940 1174084304 /nfs/dbraw/zinc/08/43/04/1174084304.db2.gz VRUJCJCSIZUSSW-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001593488115 1174084610 /nfs/dbraw/zinc/08/46/10/1174084610.db2.gz PBIDSARZGMQIQH-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001593488115 1174084617 /nfs/dbraw/zinc/08/46/17/1174084617.db2.gz PBIDSARZGMQIQH-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=C([O-])[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC001601675063 1174940315 /nfs/dbraw/zinc/94/03/15/1174940315.db2.gz LOLMXYFSMUCYFD-JTQLQIEISA-N -1 3 296.308 1.268 20 5 CDBDHM CC1(C)C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603766367 1175623684 /nfs/dbraw/zinc/62/36/84/1175623684.db2.gz LBZVJPLKAVVQQU-MRVPVSSYSA-N -1 3 289.299 1.628 20 5 CDBDHM CC1(C)C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603766367 1175623688 /nfs/dbraw/zinc/62/36/88/1175623688.db2.gz LBZVJPLKAVVQQU-MRVPVSSYSA-N -1 3 289.299 1.628 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000884743143 742888419 /nfs/dbraw/zinc/88/84/19/742888419.db2.gz WGFPYFHUJKPESK-GXSJLCMTSA-N -1 3 279.296 1.701 20 5 CDBDHM COC(=O)C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000815090625 745775843 /nfs/dbraw/zinc/77/58/43/745775843.db2.gz WPLJPAHZROACFP-GFCCVEGCSA-N -1 3 294.307 1.732 20 5 CDBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000846219815 746354213 /nfs/dbraw/zinc/35/42/13/746354213.db2.gz YKCYRNVHCUQBMK-UHFFFAOYSA-N -1 3 268.244 1.734 20 5 CDBDHM O=c1[n-]cncc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175733444 913753462 /nfs/dbraw/zinc/75/34/62/913753462.db2.gz CMJCCJKFDJNBNB-UHFFFAOYSA-N -1 3 250.189 1.973 20 5 CDBDHM C/C=C(\C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093544744 909946895 /nfs/dbraw/zinc/94/68/95/909946895.db2.gz SXPXSCKGKSAMEX-FPYGCLRLSA-N -1 3 280.284 1.190 20 5 CDBDHM CC(C)CC(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101478698 936974095 /nfs/dbraw/zinc/97/40/95/936974095.db2.gz BTDQTCDHGRWCPI-UHFFFAOYSA-N -1 3 296.327 1.612 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156277881 927893845 /nfs/dbraw/zinc/89/38/45/927893845.db2.gz CARPYFYVDITEAE-ZETCQYMHSA-N -1 3 297.702 1.567 20 5 CDBDHM COc1cccc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001164381713 939468743 /nfs/dbraw/zinc/46/87/43/939468743.db2.gz BKCLPQZLOCWTMN-VIFPVBQESA-N -1 3 292.295 1.527 20 5 CDBDHM C[C@H]1COCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664986 941897164 /nfs/dbraw/zinc/89/71/64/941897164.db2.gz VZCGXLARRWYUOO-CBAPKCEASA-N -1 3 254.242 1.499 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@H]2CO[C@H]3OCC[C@@H]23)c2[n-]cnc21 ZINC001227692175 942204812 /nfs/dbraw/zinc/20/48/12/942204812.db2.gz VHFWINNLWDMFBE-DCUMQYTISA-N -1 3 292.251 1.006 20 5 CDBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc([C@@H]2CCOC2)o1 ZINC001255588045 948015134 /nfs/dbraw/zinc/01/51/34/948015134.db2.gz ZKCBTPLAFUCCPH-ZCFIWIBFSA-N -1 3 278.224 1.249 20 5 CDBDHM O=c1[n-]ccc(NCc2nnc3n2CCCC3)c1[N+](=O)[O-] ZINC001347181526 965408840 /nfs/dbraw/zinc/40/88/40/965408840.db2.gz IOFHVFRAPUKBBT-UHFFFAOYSA-N -1 3 290.283 1.235 20 5 CDBDHM COc1ccc(C(=O)[N-]c2nc(C)no2)cc1[N+](=O)[O-] ZINC000048699816 342103314 /nfs/dbraw/zinc/10/33/14/342103314.db2.gz NCVQDMGQDBJEMP-UHFFFAOYSA-N -1 3 278.224 1.547 20 5 CDBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000070249068 361868526 /nfs/dbraw/zinc/86/85/26/361868526.db2.gz LFNQJJICTSXFHA-UHFFFAOYSA-N -1 3 288.325 1.680 20 5 CDBDHM CO[C@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600676760 342241975 /nfs/dbraw/zinc/24/19/75/342241975.db2.gz VWAXBJYWMZSGOS-CYBMUJFWSA-N -1 3 280.280 1.270 20 5 CDBDHM C[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000594540131 342915197 /nfs/dbraw/zinc/91/51/97/342915197.db2.gz BEUYPCOHFKPOGA-MRVPVSSYSA-N -1 3 296.279 1.176 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1 ZINC000436887581 362080898 /nfs/dbraw/zinc/08/08/98/362080898.db2.gz RDPOMCLMWPTQNQ-UHFFFAOYSA-N -1 3 262.225 1.286 20 5 CDBDHM CCOC(=O)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596055400 343222333 /nfs/dbraw/zinc/22/23/33/343222333.db2.gz IRCCLWISAADBMP-UHFFFAOYSA-N -1 3 258.255 1.351 20 5 CDBDHM COCCn1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596085940 343219612 /nfs/dbraw/zinc/21/96/12/343219612.db2.gz PQONUTGTDULWQJ-UHFFFAOYSA-N -1 3 279.256 1.282 20 5 CDBDHM CC[C@@H](C)NC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596083019 343220389 /nfs/dbraw/zinc/22/03/89/343220389.db2.gz XPKUVYIKKZKNPG-MRVPVSSYSA-N -1 3 282.300 1.412 20 5 CDBDHM O=c1[n-]ccc(N2CC([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000596223039 343271104 /nfs/dbraw/zinc/27/11/04/343271104.db2.gz LDLXPQINFKOGPE-QMMMGPOBSA-N -1 3 265.269 1.168 20 5 CDBDHM O=c1[n-]ccc(NCCCC2(O)CCC2)c1[N+](=O)[O-] ZINC000596277299 343296018 /nfs/dbraw/zinc/29/60/18/343296018.db2.gz JDDNHEYXOCPTQC-UHFFFAOYSA-N -1 3 267.285 1.803 20 5 CDBDHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1nccn1C ZINC000596541309 343346425 /nfs/dbraw/zinc/34/64/25/343346425.db2.gz FEICZRAXRVTHPN-SSDOTTSWSA-N -1 3 263.257 1.602 20 5 CDBDHM CN1CC=C(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436980104 362242085 /nfs/dbraw/zinc/24/20/85/362242085.db2.gz OEZWCJFLWNSKRL-UHFFFAOYSA-N -1 3 291.307 1.292 20 5 CDBDHM O=[N+]([O-])c1cccc(CSCCc2nnn[n-]2)c1 ZINC000603335820 344778778 /nfs/dbraw/zinc/77/87/78/344778778.db2.gz YIJUOQHHKVXIBA-UHFFFAOYSA-N -1 3 265.298 1.584 20 5 CDBDHM O=[N+]([O-])c1cccc(CSCCc2nn[n-]n2)c1 ZINC000603335820 344778780 /nfs/dbraw/zinc/77/87/80/344778780.db2.gz YIJUOQHHKVXIBA-UHFFFAOYSA-N -1 3 265.298 1.584 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CC1 ZINC000032413047 345411842 /nfs/dbraw/zinc/41/18/42/345411842.db2.gz MOZOTLGWNPNZJY-UHFFFAOYSA-N -1 3 286.309 1.292 20 5 CDBDHM CC[C@@H](C)CO[N-]C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000293690712 362929847 /nfs/dbraw/zinc/92/98/47/362929847.db2.gz KDDFBTUXTPALBE-ZCFIWIBFSA-N -1 3 256.262 1.334 20 5 CDBDHM CCCc1[nH]nc(C(=O)[N-]c2nccs2)c1[N+](=O)[O-] ZINC000068282200 349059876 /nfs/dbraw/zinc/05/98/76/349059876.db2.gz ADVCXTGZORRWKS-UHFFFAOYSA-N -1 3 281.297 1.979 20 5 CDBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1F)c1nnn[n-]1 ZINC000095154283 358084952 /nfs/dbraw/zinc/08/49/52/358084952.db2.gz STGYMWJBXZNIIH-ZETCQYMHSA-N -1 3 280.263 1.487 20 5 CDBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC000095154283 358084954 /nfs/dbraw/zinc/08/49/54/358084954.db2.gz STGYMWJBXZNIIH-ZETCQYMHSA-N -1 3 280.263 1.487 20 5 CDBDHM C[C@]1(C(=O)[O-])CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000062936384 358730794 /nfs/dbraw/zinc/73/07/94/358730794.db2.gz KKEQUAHIROFHFJ-ZDUSSCGKSA-N -1 3 264.281 1.891 20 5 CDBDHM C[C@@H]1[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000339064458 359282724 /nfs/dbraw/zinc/28/27/24/359282724.db2.gz GNBWMKOPSASZMO-MNOVXSKESA-N -1 3 279.340 1.825 20 5 CDBDHM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCN(C)CC1 ZINC000136027564 360237283 /nfs/dbraw/zinc/23/72/83/360237283.db2.gz QOSKMVSQOWJJRI-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N(C)C ZINC000166738723 360303771 /nfs/dbraw/zinc/30/37/71/360303771.db2.gz CSPVOUUUOLZSRP-SSDOTTSWSA-N -1 3 268.273 1.050 20 5 CDBDHM CN1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000092545879 374698508 /nfs/dbraw/zinc/69/85/08/374698508.db2.gz XZDFRHKSQINHHB-UHFFFAOYSA-N -1 3 279.296 1.581 20 5 CDBDHM O=C(N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000057553136 375528868 /nfs/dbraw/zinc/52/88/68/375528868.db2.gz KESNMUYVMLYNFQ-JTQLQIEISA-N -1 3 291.307 1.267 20 5 CDBDHM O=C(Nc1cc(F)ccc1[O-])c1cc([N+](=O)[O-])n[nH]1 ZINC000354519768 375720469 /nfs/dbraw/zinc/72/04/69/375720469.db2.gz HXUHTHHORUBRKE-UHFFFAOYSA-N -1 3 266.188 1.415 20 5 CDBDHM Cc1ocnc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354629614 375735832 /nfs/dbraw/zinc/73/58/32/375735832.db2.gz VLVZHDYQDGJDQF-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCCO ZINC000212056869 378332297 /nfs/dbraw/zinc/33/22/97/378332297.db2.gz BNMCUPVHEUYHKK-UHFFFAOYSA-N -1 3 288.325 1.036 20 5 CDBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000451623175 390636002 /nfs/dbraw/zinc/63/60/02/390636002.db2.gz IOQWUBVXDLKZII-VIFPVBQESA-N -1 3 294.279 1.917 20 5 CDBDHM CCc1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000187899311 140085945 /nfs/dbraw/zinc/08/59/45/140085945.db2.gz TZXATCCFHBWKEF-UHFFFAOYSA-N -1 3 295.280 1.362 20 5 CDBDHM CC(C)[C@@H](NCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000035390926 172174479 /nfs/dbraw/zinc/17/44/79/172174479.db2.gz YBHRTBHTKXPNOO-LLVKDONJSA-N -1 3 252.270 1.794 20 5 CDBDHM CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000106364607 289295847 /nfs/dbraw/zinc/29/58/47/289295847.db2.gz DETRBXBHQJDAPG-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM CCC[C@@H](O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590559167 1173462916 /nfs/dbraw/zinc/46/29/16/1173462916.db2.gz CNYVXLVDTIFJHW-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@@H](O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590559167 1173462917 /nfs/dbraw/zinc/46/29/17/1173462917.db2.gz CNYVXLVDTIFJHW-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM Cc1cnc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000269692132 302353132 /nfs/dbraw/zinc/35/31/32/302353132.db2.gz HAQPPSMUCDKSEW-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000301772143 304800875 /nfs/dbraw/zinc/80/08/75/304800875.db2.gz GAXBWKYBCWMWSD-UHFFFAOYSA-N -1 3 290.254 1.792 20 5 CDBDHM C[C@@H](NC(=O)c1c[n-]nn1)c1cccc([N+](=O)[O-])c1 ZINC000049217480 525376237 /nfs/dbraw/zinc/37/62/37/525376237.db2.gz MRDIDIKXWXPZGS-SSDOTTSWSA-N -1 3 261.241 1.204 20 5 CDBDHM C[C@@H](NC(=O)c1cnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000049217480 525376245 /nfs/dbraw/zinc/37/62/45/525376245.db2.gz MRDIDIKXWXPZGS-SSDOTTSWSA-N -1 3 261.241 1.204 20 5 CDBDHM C[C@@H](NC(=O)c1cn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000049217480 525376253 /nfs/dbraw/zinc/37/62/53/525376253.db2.gz MRDIDIKXWXPZGS-SSDOTTSWSA-N -1 3 261.241 1.204 20 5 CDBDHM C[C@@H](Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](C)O ZINC000820467556 599100201 /nfs/dbraw/zinc/10/02/01/599100201.db2.gz JOZKNNORWKYFKV-NTSWFWBYSA-N -1 3 296.312 1.031 20 5 CDBDHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000714013826 598129444 /nfs/dbraw/zinc/12/94/44/598129444.db2.gz QOACIEDVMAYYJU-LLVKDONJSA-N -1 3 264.281 1.810 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@H]2C[C@H]2C1 ZINC001607083179 1164071146 /nfs/dbraw/zinc/07/11/46/1164071146.db2.gz ZSYLOLSKSWAIOE-WPRPVWTQSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@H]2C[C@H]2C1 ZINC001607083179 1164071149 /nfs/dbraw/zinc/07/11/49/1164071149.db2.gz ZSYLOLSKSWAIOE-WPRPVWTQSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](F)C2)c(-c2nnn[n-]2)c1 ZINC001607086860 1164073317 /nfs/dbraw/zinc/07/33/17/1164073317.db2.gz TWBFMEAOFPHVBX-SSDOTTSWSA-N -1 3 293.262 1.108 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](F)C2)c(-c2nn[n-]n2)c1 ZINC001607086860 1164073327 /nfs/dbraw/zinc/07/33/27/1164073327.db2.gz TWBFMEAOFPHVBX-SSDOTTSWSA-N -1 3 293.262 1.108 20 5 CDBDHM C[C@H](O)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609129672 1164786833 /nfs/dbraw/zinc/78/68/33/1164786833.db2.gz WZUSOQJVYKYIGT-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@H](O)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609129672 1164786839 /nfs/dbraw/zinc/78/68/39/1164786839.db2.gz WZUSOQJVYKYIGT-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCC1CC1 ZINC001609600363 1164998705 /nfs/dbraw/zinc/99/87/05/1164998705.db2.gz FTILGEPRWLDCSA-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCC1CC1 ZINC001609600363 1164998707 /nfs/dbraw/zinc/99/87/07/1164998707.db2.gz FTILGEPRWLDCSA-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM C[C@H](O)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001609788513 1165081805 /nfs/dbraw/zinc/08/18/05/1165081805.db2.gz KDIJHEOXOQUHLC-GXSJLCMTSA-N -1 3 294.307 1.496 20 5 CDBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1cnn[n-]1 ZINC000805609181 751888252 /nfs/dbraw/zinc/88/82/52/751888252.db2.gz NWTFZHZUECNVSR-UHFFFAOYSA-N -1 3 266.188 1.209 20 5 CDBDHM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1c[n-]nn1 ZINC000805609181 751888253 /nfs/dbraw/zinc/88/82/53/751888253.db2.gz NWTFZHZUECNVSR-UHFFFAOYSA-N -1 3 266.188 1.209 20 5 CDBDHM CSCCO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830991479 752313436 /nfs/dbraw/zinc/31/34/36/752313436.db2.gz YYJGQJQSBOANRM-UHFFFAOYSA-N -1 3 250.320 1.233 20 5 CDBDHM O=C([O-])[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000874045676 752331110 /nfs/dbraw/zinc/33/11/10/752331110.db2.gz BMKDNZJBQCAACY-DTORHVGOSA-N -1 3 268.244 1.687 20 5 CDBDHM O=c1[n-]ccc(N2C[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000884644322 752594627 /nfs/dbraw/zinc/59/46/27/752594627.db2.gz LGDZEYSAMBKGMJ-OCAPTIKFSA-N -1 3 267.310 1.495 20 5 CDBDHM CCC(CC)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093528187 909908142 /nfs/dbraw/zinc/90/81/42/909908142.db2.gz XCUUBCGBTHTTOW-UHFFFAOYSA-N -1 3 296.327 1.660 20 5 CDBDHM NCc1nc(=O)[n-]n1-c1cc(Cl)ccc1C=C[N+](=O)[O-] ZINC001168761448 923277855 /nfs/dbraw/zinc/27/78/55/923277855.db2.gz PZTSBNHVWCLEHJ-ONEGZZNKSA-N -1 3 295.686 1.332 20 5 CDBDHM NC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199815191 925876546 /nfs/dbraw/zinc/87/65/46/925876546.db2.gz VYTUKMCHLWNJQB-UHFFFAOYSA-N -1 3 274.236 1.538 20 5 CDBDHM O=c1cc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)o[n-]1 ZINC001169484919 928075147 /nfs/dbraw/zinc/07/51/47/928075147.db2.gz BNBYMMLPPAYPQO-UHFFFAOYSA-N -1 3 276.252 1.504 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1nccc(Cl)c1[N+](=O)[O-] ZINC001156280056 938346012 /nfs/dbraw/zinc/34/60/12/938346012.db2.gz WJIDHKNYPGLWEY-SSDOTTSWSA-N -1 3 297.702 1.567 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCc2nccn2C1 ZINC001225664728 941897100 /nfs/dbraw/zinc/89/71/00/941897100.db2.gz SAWODVXEHVPTBV-QMMMGPOBSA-N -1 3 276.252 1.286 20 5 CDBDHM O=c1cc[n-]c(O[C@H]2CCc3nccn3C2)c1[N+](=O)[O-] ZINC001225664728 941897101 /nfs/dbraw/zinc/89/71/01/941897101.db2.gz SAWODVXEHVPTBV-QMMMGPOBSA-N -1 3 276.252 1.286 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@H]1CCCCO1 ZINC001225666662 941897635 /nfs/dbraw/zinc/89/76/35/941897635.db2.gz KLQPHJLZIJGZJA-MRVPVSSYSA-N -1 3 254.242 1.643 20 5 CDBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cnccn1 ZINC001227692537 942205719 /nfs/dbraw/zinc/20/57/19/942205719.db2.gz ZKYQZFTZDWCUEP-SSDOTTSWSA-N -1 3 286.251 1.796 20 5 CDBDHM Cc1[n-]c(=O)cc(OCC(=O)OC(C)C)c1[N+](=O)[O-] ZINC001228687401 942357459 /nfs/dbraw/zinc/35/74/59/942357459.db2.gz WURMYESTILEVJI-UHFFFAOYSA-N -1 3 270.241 1.334 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC001228688661 942358586 /nfs/dbraw/zinc/35/85/86/942358586.db2.gz MHOPOGZISXUGRN-IONNQARKSA-N -1 3 268.269 1.808 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCc3nccn3C2)n1 ZINC001231262138 942839088 /nfs/dbraw/zinc/83/90/88/942839088.db2.gz DEPAIWAWPYOVTD-SECBINFHSA-N -1 3 290.279 1.594 20 5 CDBDHM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1c[n-]c2ccccc2c1=O ZINC001303573766 954095963 /nfs/dbraw/zinc/09/59/63/954095963.db2.gz VZFMSDBMPXERQM-UHFFFAOYSA-N -1 3 299.246 1.412 20 5 CDBDHM O=c1[n-]ccc(NCCOC2CCOCC2)c1[N+](=O)[O-] ZINC001307218360 956381099 /nfs/dbraw/zinc/38/10/99/956381099.db2.gz VNVRSMMDOPKVCI-UHFFFAOYSA-N -1 3 283.284 1.303 20 5 CDBDHM CC(COC(=O)c1ccc(C(=O)[O-])c(F)c1)[N+](=O)[O-] ZINC001592772921 979395023 /nfs/dbraw/zinc/39/50/23/979395023.db2.gz VGLIKWWJBCNEEW-LURJTMIESA-N -1 3 271.200 1.346 20 5 CDBDHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000093028765 342477499 /nfs/dbraw/zinc/47/74/99/342477499.db2.gz SIBJUTXSEJSAIX-BDAKNGLRSA-N -1 3 252.270 1.794 20 5 CDBDHM CN1CCC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000533213200 282102971 /nfs/dbraw/zinc/10/29/71/282102971.db2.gz BEMDDIUEZCJRMB-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C ZINC000619473029 349739459 /nfs/dbraw/zinc/73/94/59/349739459.db2.gz XKABNGDAVDSRSZ-UHFFFAOYSA-N -1 3 288.325 1.680 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000596083160 343220360 /nfs/dbraw/zinc/22/03/60/343220360.db2.gz OTXYJJZFTZXQLE-VIFPVBQESA-N -1 3 289.295 1.803 20 5 CDBDHM O=c1[n-]ccc(NCCSCCCO)c1[N+](=O)[O-] ZINC000596114194 343230829 /nfs/dbraw/zinc/23/08/29/343230829.db2.gz KDMUATPXPOBONS-UHFFFAOYSA-N -1 3 273.314 1.223 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596174661 343260150 /nfs/dbraw/zinc/26/01/50/343260150.db2.gz MMYPTUZMSIZULO-LLVKDONJSA-N -1 3 293.323 1.948 20 5 CDBDHM CCc1nc([N-]C(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000177960534 529699326 /nfs/dbraw/zinc/69/93/26/529699326.db2.gz WGITUCOVOJESAP-UHFFFAOYSA-N -1 3 267.270 1.589 20 5 CDBDHM CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436976659 362246637 /nfs/dbraw/zinc/24/66/37/362246637.db2.gz AHOQPXDJWDBNFK-UHFFFAOYSA-N -1 3 295.339 1.714 20 5 CDBDHM O=C([O-])[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000003748142 362255841 /nfs/dbraw/zinc/25/58/41/362255841.db2.gz MWPZSYAHKFTRGM-NSHDSACASA-N -1 3 250.254 1.644 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@]2(CCOC2)C1 ZINC000093819939 351348776 /nfs/dbraw/zinc/34/87/76/351348776.db2.gz GXRRDMPBVZHTJW-CQSZACIVSA-N -1 3 278.308 1.913 20 5 CDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1ccno1 ZINC000352949121 359027942 /nfs/dbraw/zinc/02/79/42/359027942.db2.gz FKESCQDAYDXSQC-UHFFFAOYSA-N -1 3 297.292 1.202 20 5 CDBDHM Cc1[nH]nc(C(=O)Nc2c(C)cccc2[O-])c1[N+](=O)[O-] ZINC000436729823 359518847 /nfs/dbraw/zinc/51/88/47/359518847.db2.gz TVEXMPRDBSYUHB-UHFFFAOYSA-N -1 3 276.252 1.893 20 5 CDBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cnns1 ZINC000089420894 359904083 /nfs/dbraw/zinc/90/40/83/359904083.db2.gz KCSLGOJRGIVJAI-UHFFFAOYSA-N -1 3 290.264 1.575 20 5 CDBDHM CCOC(=O)c1c(C)n[n-]c1Cn1cnc([N+](=O)[O-])c1 ZINC000580216788 364928345 /nfs/dbraw/zinc/92/83/45/364928345.db2.gz HZLLSBALNCSLFS-UHFFFAOYSA-N -1 3 279.256 1.048 20 5 CDBDHM CCOC(=O)c1c(C)[n-]nc1Cn1cnc([N+](=O)[O-])c1 ZINC000580216788 364928352 /nfs/dbraw/zinc/92/83/52/364928352.db2.gz HZLLSBALNCSLFS-UHFFFAOYSA-N -1 3 279.256 1.048 20 5 CDBDHM COc1cc(C(=O)[N-]OC(C)C)c([N+](=O)[O-])cc1F ZINC000295505507 371314479 /nfs/dbraw/zinc/31/44/79/371314479.db2.gz GYHBJYVFJJJVLD-UHFFFAOYSA-N -1 3 272.232 1.812 20 5 CDBDHM COCCCn1ccc([N-]c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000266283366 372022797 /nfs/dbraw/zinc/02/27/97/372022797.db2.gz UQSSPNYUCARDAL-UHFFFAOYSA-N -1 3 294.315 1.613 20 5 CDBDHM CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000274610605 374678241 /nfs/dbraw/zinc/67/82/41/374678241.db2.gz HQJLEGXDCNHRQK-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CC2CCC2)c([N+](=O)[O-])c1 ZINC000332473194 375032430 /nfs/dbraw/zinc/03/24/30/375032430.db2.gz NTNGUAYIJXCXHD-UHFFFAOYSA-N -1 3 284.337 1.982 20 5 CDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc([O-])cc1F ZINC000357519669 378083593 /nfs/dbraw/zinc/08/35/93/378083593.db2.gz OLZLUAKBXFMOAE-UHFFFAOYSA-N -1 3 280.215 1.275 20 5 CDBDHM C[C@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)N(C)C ZINC000443431730 250028750 /nfs/dbraw/zinc/02/87/50/250028750.db2.gz WEKOTVVFZINPMM-SECBINFHSA-N -1 3 291.311 1.429 20 5 CDBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)no1 ZINC000193370145 267303361 /nfs/dbraw/zinc/30/33/61/267303361.db2.gz RSFKMXMWOFPLGC-UHFFFAOYSA-N -1 3 264.197 1.244 20 5 CDBDHM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC1 ZINC000570593874 294269241 /nfs/dbraw/zinc/26/92/41/294269241.db2.gz OGGWLNBKQLHRNJ-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM COC[C@@](C)(NCc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000340699731 522530614 /nfs/dbraw/zinc/53/06/14/522530614.db2.gz UUXOVLYQWYHANX-CYBMUJFWSA-N -1 3 282.296 1.483 20 5 CDBDHM O=C([O-])[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000062134455 526279859 /nfs/dbraw/zinc/27/98/59/526279859.db2.gz XEWUSLIHHQCUNZ-SNVBAGLBSA-N -1 3 250.254 1.501 20 5 CDBDHM CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])COC1 ZINC000736216956 575592379 /nfs/dbraw/zinc/59/23/79/575592379.db2.gz OMGCHTPKTFFFQD-UHFFFAOYSA-N -1 3 290.283 1.223 20 5 CDBDHM CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])COC1 ZINC000736216956 575592380 /nfs/dbraw/zinc/59/23/80/575592380.db2.gz OMGCHTPKTFFFQD-UHFFFAOYSA-N -1 3 290.283 1.223 20 5 CDBDHM C[C@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000768812846 576309801 /nfs/dbraw/zinc/30/98/01/576309801.db2.gz SEIKLODKIUEPEO-SSDOTTSWSA-N -1 3 290.366 1.981 20 5 CDBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457120 607680454 /nfs/dbraw/zinc/68/04/54/607680454.db2.gz MXTMLXZWXMIEIS-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457120 607680455 /nfs/dbraw/zinc/68/04/55/607680455.db2.gz MXTMLXZWXMIEIS-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM COc1c([O-])ccc(CN2CCO[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000895961759 619917677 /nfs/dbraw/zinc/91/76/77/619917677.db2.gz DDMXSEWQJQBTDE-LLVKDONJSA-N -1 3 298.295 1.114 20 5 CDBDHM O=[N+]([O-])c1ccccc1CNc1nnccc1-c1nnn[n-]1 ZINC001607085596 1164074871 /nfs/dbraw/zinc/07/48/71/1164074871.db2.gz XNCDWYXTYOUBLY-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccccc1CNc1nnccc1-c1nn[n-]n1 ZINC001607085596 1164074876 /nfs/dbraw/zinc/07/48/76/1164074876.db2.gz XNCDWYXTYOUBLY-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@H](F)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609116984 1164781044 /nfs/dbraw/zinc/78/10/44/1164781044.db2.gz FSRHPARGJMJEQR-ZETCQYMHSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@H](F)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609116984 1164781051 /nfs/dbraw/zinc/78/10/51/1164781051.db2.gz FSRHPARGJMJEQR-ZETCQYMHSA-N -1 3 280.263 1.935 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591977891 1173763449 /nfs/dbraw/zinc/76/34/49/1173763449.db2.gz NSWDIWJGNKAATH-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591977891 1173763454 /nfs/dbraw/zinc/76/34/54/1173763454.db2.gz NSWDIWJGNKAATH-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NC2CC=CC2)c1-c1nnn[n-]1 ZINC001592757225 1173986334 /nfs/dbraw/zinc/98/63/34/1173986334.db2.gz ITFWEFQWFMHMFC-UHFFFAOYSA-N -1 3 287.283 1.488 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NC2CC=CC2)c1-c1nn[n-]n1 ZINC001592757225 1173986339 /nfs/dbraw/zinc/98/63/39/1173986339.db2.gz ITFWEFQWFMHMFC-UHFFFAOYSA-N -1 3 287.283 1.488 20 5 CDBDHM Cc1oc(C(=O)[O-])cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC001600831038 1174635546 /nfs/dbraw/zinc/63/55/46/1174635546.db2.gz FNSMFWKPOLGCRI-UHFFFAOYSA-N -1 3 294.267 1.181 20 5 CDBDHM Cn1cc(CN2CCCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC001600951218 1174674148 /nfs/dbraw/zinc/67/41/48/1174674148.db2.gz FUPCQRACGGZORW-JTQLQIEISA-N -1 3 282.300 1.158 20 5 CDBDHM C[C@H]1COC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603946120 1175695102 /nfs/dbraw/zinc/69/51/02/1175695102.db2.gz GMZYMVAOUJGLLX-OIBJUYFYSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@H]1COC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603946120 1175695106 /nfs/dbraw/zinc/69/51/06/1175695106.db2.gz GMZYMVAOUJGLLX-OIBJUYFYSA-N -1 3 290.283 1.222 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CC=CC1 ZINC001607083687 1164072153 /nfs/dbraw/zinc/07/21/53/1164072153.db2.gz LKDIIDJTWNKAJI-UHFFFAOYSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC1CSC1 ZINC001607084516 1164072704 /nfs/dbraw/zinc/07/27/04/1164072704.db2.gz JYNPKTPQQYBQLI-UHFFFAOYSA-N -1 3 292.324 1.550 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC1CSC1 ZINC001607084516 1164072713 /nfs/dbraw/zinc/07/27/13/1164072713.db2.gz JYNPKTPQQYBQLI-UHFFFAOYSA-N -1 3 292.324 1.550 20 5 CDBDHM CC[C@@H](CCO)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609190791 1164831868 /nfs/dbraw/zinc/83/18/68/1164831868.db2.gz VUNMGNRIRVQAPY-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@H](CCO)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609190791 1164831870 /nfs/dbraw/zinc/83/18/70/1164831870.db2.gz VUNMGNRIRVQAPY-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824698722 753847347 /nfs/dbraw/zinc/84/73/47/753847347.db2.gz NRJGARCSLDMGAC-YUMQZZPRSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824698722 753847349 /nfs/dbraw/zinc/84/73/49/753847349.db2.gz NRJGARCSLDMGAC-YUMQZZPRSA-N -1 3 292.299 1.346 20 5 CDBDHM CCCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000844086726 754806655 /nfs/dbraw/zinc/80/66/55/754806655.db2.gz ZRJFVQLGXPKHKA-UHFFFAOYSA-N -1 3 252.270 1.904 20 5 CDBDHM CC(C)CO[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000845859078 755821757 /nfs/dbraw/zinc/82/17/57/755821757.db2.gz CTIWWPUNPBWPDI-UHFFFAOYSA-N -1 3 270.260 1.980 20 5 CDBDHM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cnn[n-]1 ZINC000805605587 756153024 /nfs/dbraw/zinc/15/30/24/756153024.db2.gz KWIHVOUOWISKDY-UHFFFAOYSA-N -1 3 284.178 1.348 20 5 CDBDHM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1c[n-]nn1 ZINC000805605587 756153030 /nfs/dbraw/zinc/15/30/30/756153030.db2.gz KWIHVOUOWISKDY-UHFFFAOYSA-N -1 3 284.178 1.348 20 5 CDBDHM CCCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093525706 909905878 /nfs/dbraw/zinc/90/58/78/909905878.db2.gz VIYGRZAXHAYWHS-UHFFFAOYSA-N -1 3 282.300 1.414 20 5 CDBDHM O=C(Nc1ccnn1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001159092765 938701337 /nfs/dbraw/zinc/70/13/37/938701337.db2.gz RJAXPDXUHUTFBP-UHFFFAOYSA-N -1 3 289.251 1.479 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCc1ccccn1 ZINC001161223551 938880929 /nfs/dbraw/zinc/88/09/29/938880929.db2.gz CBCQAQWIUZVTGS-UHFFFAOYSA-N -1 3 287.275 1.780 20 5 CDBDHM O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@@H]1CCC[NH2+]C1 ZINC001218284377 941051869 /nfs/dbraw/zinc/05/18/69/941051869.db2.gz QRRLJIIHIWZIBY-MRVPVSSYSA-N -1 3 254.242 1.137 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3C[C@H](O)C3)[n-]c2c1 ZINC001218424977 941216006 /nfs/dbraw/zinc/21/60/06/941216006.db2.gz CULJIAAGUCYLDG-XWEPSHTISA-N -1 3 263.253 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3C[C@H](O)C3)nc2c1 ZINC001218424977 941216008 /nfs/dbraw/zinc/21/60/08/941216008.db2.gz CULJIAAGUCYLDG-XWEPSHTISA-N -1 3 263.253 1.621 20 5 CDBDHM COCCN1CCC(Oc2cccc([O-])c2[N+](=O)[O-])CC1 ZINC001225620413 941889170 /nfs/dbraw/zinc/88/91/70/941889170.db2.gz QSDIYGXDODYDEO-UHFFFAOYSA-N -1 3 296.323 1.790 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCn2ccnc21 ZINC001225663201 941895868 /nfs/dbraw/zinc/89/58/68/941895868.db2.gz ZZXKIMRVOXOMEU-MRVPVSSYSA-N -1 3 262.225 1.416 20 5 CDBDHM C=CC(=O)OC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690602 942204551 /nfs/dbraw/zinc/20/45/51/942204551.db2.gz JCLFHKKWPVTNNF-SSDOTTSWSA-N -1 3 292.251 1.363 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-] ZINC001228687413 942357247 /nfs/dbraw/zinc/35/72/47/942357247.db2.gz XAVJLCHSQLVSHK-BDAKNGLRSA-N -1 3 268.269 1.808 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCOC[C@@H]2F)c1[N+](=O)[O-] ZINC001228687740 942357492 /nfs/dbraw/zinc/35/74/92/942357492.db2.gz AKWYGKLLGPAIPO-JGVFFNPUSA-N -1 3 272.232 1.510 20 5 CDBDHM CC(=O)N1CCC(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])CC1 ZINC001228685633 942357530 /nfs/dbraw/zinc/35/75/30/942357530.db2.gz IXLKNBDQEBZCPB-UHFFFAOYSA-N -1 3 295.295 1.394 20 5 CDBDHM C[C@H]1C[C@H]1c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC001256710499 948404794 /nfs/dbraw/zinc/40/47/94/948404794.db2.gz WPLXQNNVHZBICA-CAHLUQPWSA-N -1 3 262.225 1.869 20 5 CDBDHM CN1CCC(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166673827 342073620 /nfs/dbraw/zinc/07/36/20/342073620.db2.gz FBQPCVZHKBWZQO-UHFFFAOYSA-N -1 3 280.284 1.194 20 5 CDBDHM Cc1nn(Cc2cc(=O)c([O-])co2)c(C)c1[N+](=O)[O-] ZINC000299307335 361826607 /nfs/dbraw/zinc/82/66/07/361826607.db2.gz RGQWHANRVMUNPS-UHFFFAOYSA-N -1 3 265.225 1.115 20 5 CDBDHM O=C([O-])CN1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC000592980123 342754821 /nfs/dbraw/zinc/75/48/21/342754821.db2.gz FRYYQTIFINTWPD-UHFFFAOYSA-N -1 3 285.325 1.253 20 5 CDBDHM CC(C)[C@@H](O)Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653670 342934664 /nfs/dbraw/zinc/93/46/64/342934664.db2.gz XJSXFNFRWQGCRN-ZDUSSCGKSA-N -1 3 292.295 1.441 20 5 CDBDHM Cc1cc(N(C)C[C@H](C)c2nnn[n-]2)c([N+](=O)[O-])s1 ZINC000596192559 343253764 /nfs/dbraw/zinc/25/37/64/343253764.db2.gz DEPWXKZWPCRUNN-LURJTMIESA-N -1 3 282.329 1.718 20 5 CDBDHM Cc1cc(N(C)C[C@H](C)c2nn[n-]n2)c([N+](=O)[O-])s1 ZINC000596192559 343253765 /nfs/dbraw/zinc/25/37/65/343253765.db2.gz DEPWXKZWPCRUNN-LURJTMIESA-N -1 3 282.329 1.718 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](O)CC2)c1[N+](=O)[O-] ZINC000596247096 343286576 /nfs/dbraw/zinc/28/65/76/343286576.db2.gz HXSBVIXBWGGCSV-MRVPVSSYSA-N -1 3 253.258 1.047 20 5 CDBDHM O=c1[n-]ccc(N2CCOCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596233286 343262354 /nfs/dbraw/zinc/26/23/54/343262354.db2.gz CWXUKNQCOZPNMS-UHFFFAOYSA-N -1 3 275.211 1.167 20 5 CDBDHM CCO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596253607 343275171 /nfs/dbraw/zinc/27/51/71/343275171.db2.gz CDCKFOLWCDWLJF-KOLCDFICSA-N -1 3 281.312 1.947 20 5 CDBDHM C[C@H](CO)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596293941 343290451 /nfs/dbraw/zinc/29/04/51/343290451.db2.gz TXUSHYLRMGNCGG-SECBINFHSA-N -1 3 281.312 1.540 20 5 CDBDHM C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C ZINC000436965728 362164670 /nfs/dbraw/zinc/16/46/70/362164670.db2.gz KDQXFQJGOMHFMV-NXEZZACHSA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000273354233 192122973 /nfs/dbraw/zinc/12/29/73/192122973.db2.gz CQEVNSMYWLLSKX-UHFFFAOYSA-N -1 3 291.267 1.229 20 5 CDBDHM CN(C)C(=O)Cn1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000066817807 348998799 /nfs/dbraw/zinc/99/87/99/348998799.db2.gz RPDVRVJZNADDHV-UHFFFAOYSA-N -1 3 290.283 1.018 20 5 CDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c[n-]nn1 ZINC000124103849 187121986 /nfs/dbraw/zinc/12/19/86/187121986.db2.gz ITFFWSFSFZISAT-UHFFFAOYSA-N -1 3 289.295 1.466 20 5 CDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn[n-]1 ZINC000124103849 187121987 /nfs/dbraw/zinc/12/19/87/187121987.db2.gz ITFFWSFSFZISAT-UHFFFAOYSA-N -1 3 289.295 1.466 20 5 CDBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cn[n-]n1 ZINC000124103849 187121988 /nfs/dbraw/zinc/12/19/88/187121988.db2.gz ITFFWSFSFZISAT-UHFFFAOYSA-N -1 3 289.295 1.466 20 5 CDBDHM Cc1nc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)sc1C ZINC000029579753 356247088 /nfs/dbraw/zinc/24/70/88/356247088.db2.gz CJPIOMQVNFFGMG-UHFFFAOYSA-N -1 3 294.292 1.031 20 5 CDBDHM CN1CC=C(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000392199961 375043431 /nfs/dbraw/zinc/04/34/31/375043431.db2.gz HSNNASQPQJKPNU-UHFFFAOYSA-N -1 3 292.295 1.362 20 5 CDBDHM Cc1[nH]nc(C(=O)[N-]c2cc(Cl)ccn2)c1[N+](=O)[O-] ZINC000358038318 375948101 /nfs/dbraw/zinc/94/81/01/375948101.db2.gz SFAXKTJJVZDVRI-UHFFFAOYSA-N -1 3 281.659 1.927 20 5 CDBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccco2)c1 ZINC000445748132 250228869 /nfs/dbraw/zinc/22/88/69/250228869.db2.gz BSQSLQXWKDVJAN-UHFFFAOYSA-N -1 3 296.304 1.709 20 5 CDBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OC1CCOCC1 ZINC000492643817 253263446 /nfs/dbraw/zinc/26/34/46/253263446.db2.gz HMTZHCNUEXTGHV-AATRIKPKSA-N -1 3 292.291 1.835 20 5 CDBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1nnc(COC)[n-]1 ZINC000288895786 197187875 /nfs/dbraw/zinc/18/78/75/197187875.db2.gz NMTHIHQRSDFUKD-UHFFFAOYSA-N -1 3 298.328 1.535 20 5 CDBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1n[n-]c(COC)n1 ZINC000288895786 197187876 /nfs/dbraw/zinc/18/78/76/197187876.db2.gz NMTHIHQRSDFUKD-UHFFFAOYSA-N -1 3 298.328 1.535 20 5 CDBDHM COc1cc(CNc2nc(C)nn2C)c([N+](=O)[O-])cc1[O-] ZINC000184307534 391899221 /nfs/dbraw/zinc/89/92/21/391899221.db2.gz HERBHANQAMQKKA-UHFFFAOYSA-N -1 3 293.283 1.358 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc[nH]1 ZINC000072714039 176425688 /nfs/dbraw/zinc/42/56/88/176425688.db2.gz SNHZJEMNCBJQQD-UHFFFAOYSA-N -1 3 281.293 1.401 20 5 CDBDHM CC(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000549524451 289968925 /nfs/dbraw/zinc/96/89/25/289968925.db2.gz NPTFQISCKDQKNT-UHFFFAOYSA-N -1 3 280.252 1.528 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(F)F ZINC000555412555 290217425 /nfs/dbraw/zinc/21/74/25/290217425.db2.gz BAKAXQZDSFGAJT-UHFFFAOYSA-N -1 3 294.279 1.837 20 5 CDBDHM CO[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591323951 1173610122 /nfs/dbraw/zinc/61/01/22/1173610122.db2.gz GUAQSJOHUWFSKJ-HTQZYQBOSA-N -1 3 292.299 1.610 20 5 CDBDHM CO[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591323951 1173610126 /nfs/dbraw/zinc/61/01/26/1173610126.db2.gz GUAQSJOHUWFSKJ-HTQZYQBOSA-N -1 3 292.299 1.610 20 5 CDBDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000049356074 525512753 /nfs/dbraw/zinc/51/27/53/525512753.db2.gz JXLVOOWGKKRLJB-ZCFIWIBFSA-N -1 3 258.661 1.811 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736235812 575598375 /nfs/dbraw/zinc/59/83/75/575598375.db2.gz GSVPKADFVAFLGZ-NKWVEPMBSA-N -1 3 275.272 1.238 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736235812 575598377 /nfs/dbraw/zinc/59/83/77/575598377.db2.gz GSVPKADFVAFLGZ-NKWVEPMBSA-N -1 3 275.272 1.238 20 5 CDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1c([O-])cccc1F ZINC000772577464 575725050 /nfs/dbraw/zinc/72/50/50/575725050.db2.gz GWLLPBYIZMARSX-UHFFFAOYSA-N -1 3 295.226 1.493 20 5 CDBDHM COc1cccc(C(=O)[N-]OC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000768258737 576267364 /nfs/dbraw/zinc/26/73/64/576267364.db2.gz AKIXCCRZGIPWOV-SECBINFHSA-N -1 3 296.279 1.301 20 5 CDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCSC2)cs1 ZINC000768843180 576312693 /nfs/dbraw/zinc/31/26/93/576312693.db2.gz HHNZIXMOLWDXMG-LURJTMIESA-N -1 3 294.379 1.440 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCn2cccc2)c(-c2nnn[n-]2)c1 ZINC000823639954 606476873 /nfs/dbraw/zinc/47/68/73/606476873.db2.gz NIDOQNRMSPQVTG-UHFFFAOYSA-N -1 3 299.294 1.689 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCn2cccc2)c(-c2nn[n-]n2)c1 ZINC000823639954 606476875 /nfs/dbraw/zinc/47/68/75/606476875.db2.gz NIDOQNRMSPQVTG-UHFFFAOYSA-N -1 3 299.294 1.689 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CC=CC1 ZINC001607083687 1164072149 /nfs/dbraw/zinc/07/21/49/1164072149.db2.gz LKDIIDJTWNKAJI-UHFFFAOYSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOCCF ZINC001607080178 1164072507 /nfs/dbraw/zinc/07/25/07/1164072507.db2.gz STYVLGQFYWCCMM-UHFFFAOYSA-N -1 3 296.262 1.173 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOCCF ZINC001607080178 1164072515 /nfs/dbraw/zinc/07/25/15/1164072515.db2.gz STYVLGQFYWCCMM-UHFFFAOYSA-N -1 3 296.262 1.173 20 5 CDBDHM C[C@H](NC[C@@](C)(O)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001607460842 1164189254 /nfs/dbraw/zinc/18/92/54/1164189254.db2.gz PDLRIQZNTFROKC-QPUJVOFHSA-N -1 3 268.269 1.081 20 5 CDBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CO1 ZINC001609158394 1164806444 /nfs/dbraw/zinc/80/64/44/1164806444.db2.gz YPVHZUJKYZVYIH-YUMQZZPRSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CO1 ZINC001609158394 1164806449 /nfs/dbraw/zinc/80/64/49/1164806449.db2.gz YPVHZUJKYZVYIH-YUMQZZPRSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1cnc(NC2CC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC001609603487 1165000791 /nfs/dbraw/zinc/00/07/91/1165000791.db2.gz HPABEJZTZBJYLT-UHFFFAOYSA-N -1 3 297.225 1.380 20 5 CDBDHM O=[N+]([O-])c1cnc(NC2CC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC001609603487 1165000793 /nfs/dbraw/zinc/00/07/93/1165000793.db2.gz HPABEJZTZBJYLT-UHFFFAOYSA-N -1 3 297.225 1.380 20 5 CDBDHM CCOCCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590810518 1173517442 /nfs/dbraw/zinc/51/74/42/1173517442.db2.gz POTRUZWKHZUCTN-UHFFFAOYSA-N -1 3 293.287 1.008 20 5 CDBDHM CCOCCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590810518 1173517448 /nfs/dbraw/zinc/51/74/48/1173517448.db2.gz POTRUZWKHZUCTN-UHFFFAOYSA-N -1 3 293.287 1.008 20 5 CDBDHM CO[C@@H](C)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591467747 1173655942 /nfs/dbraw/zinc/65/59/42/1173655942.db2.gz XZVMJWLBFZBAQM-LURJTMIESA-N -1 3 296.262 1.361 20 5 CDBDHM CO[C@@H](C)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591467747 1173655945 /nfs/dbraw/zinc/65/59/45/1173655945.db2.gz XZVMJWLBFZBAQM-LURJTMIESA-N -1 3 296.262 1.361 20 5 CDBDHM O=[N+]([O-])c1cccc(Oc2cc(-c3nnn[n-]3)cnn2)c1 ZINC001593483712 1174084248 /nfs/dbraw/zinc/08/42/48/1174084248.db2.gz 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CO[C@@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600676761 342241840 /nfs/dbraw/zinc/24/18/40/342241840.db2.gz VWAXBJYWMZSGOS-ZDUSSCGKSA-N -1 3 280.280 1.270 20 5 CDBDHM CCO[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596086785 343232948 /nfs/dbraw/zinc/23/29/48/343232948.db2.gz BCJHIHUTORYGIG-VIFPVBQESA-N -1 3 267.285 1.701 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000596135825 343240039 /nfs/dbraw/zinc/24/00/39/343240039.db2.gz BBUKIRKBHNWXOV-DTWKUNHWSA-N -1 3 267.285 1.658 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000596156203 343247796 /nfs/dbraw/zinc/24/77/96/343247796.db2.gz GWCJOICCGRFZEY-QWRGUYRKSA-N -1 3 295.295 1.080 20 5 CDBDHM CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596177579 343261597 /nfs/dbraw/zinc/26/15/97/343261597.db2.gz NDAPWMANTZNMFA-SFYZADRCSA-N -1 3 280.284 1.022 20 5 CDBDHM COC(=O)C(C)(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596229393 343272824 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CC1CC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000267710584 361331499 /nfs/dbraw/zinc/33/14/99/361331499.db2.gz HZMVJHOYPKZSKA-UHFFFAOYSA-N -1 3 270.310 1.672 20 5 CDBDHM C[C@H](CN(C)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000042705168 364614231 /nfs/dbraw/zinc/61/42/31/364614231.db2.gz XLZMAQXRTOOTQU-SECBINFHSA-N -1 3 252.270 1.747 20 5 CDBDHM O=C([N-]OCC1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000293756216 365523584 /nfs/dbraw/zinc/52/35/84/365523584.db2.gz KZBJCUGXUCLMMA-UHFFFAOYSA-N -1 3 294.263 1.437 20 5 CDBDHM NC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000423742057 246018487 /nfs/dbraw/zinc/01/84/87/246018487.db2.gz KXAXUBUMSGBRMG-UHFFFAOYSA-N -1 3 285.687 1.774 20 5 CDBDHM CN1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000274584825 374677499 /nfs/dbraw/zinc/67/74/99/374677499.db2.gz GAFIBUSDCNLPKV-UHFFFAOYSA-N -1 3 279.296 1.078 20 5 CDBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000354611344 375734148 /nfs/dbraw/zinc/73/41/48/375734148.db2.gz BVNNMPZFUHMJRV-MRVPVSSYSA-N -1 3 297.292 1.622 20 5 CDBDHM Cc1cc(NC([O-])=NOCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000278522754 194025942 /nfs/dbraw/zinc/02/59/42/194025942.db2.gz GXYDEYONCVFZRP-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1cc(NC(=O)[N-]OCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000278522754 194025944 /nfs/dbraw/zinc/02/59/44/194025944.db2.gz GXYDEYONCVFZRP-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCF)cc1C ZINC000280857459 195004502 /nfs/dbraw/zinc/00/45/02/195004502.db2.gz ZAIHAQJAKNTIJI-UHFFFAOYSA-N -1 3 276.289 1.459 20 5 CDBDHM Cc1cccnc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186783496 140069216 /nfs/dbraw/zinc/06/92/16/140069216.db2.gz VJROFHWGAISKOA-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000103254639 147168841 /nfs/dbraw/zinc/16/88/41/147168841.db2.gz HEYIMUIUTSVDTC-UHFFFAOYSA-N -1 3 281.659 1.927 20 5 CDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccnc1 ZINC000180805769 148163124 /nfs/dbraw/zinc/16/31/24/148163124.db2.gz HQFQCOSMNCNCDJ-UHFFFAOYSA-N -1 3 293.304 1.932 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000345977812 153014697 /nfs/dbraw/zinc/01/46/97/153014697.db2.gz HURAEGOWHVMBMT-UHFFFAOYSA-N -1 3 276.252 1.595 20 5 CDBDHM Cc1cnc(N2CCc3c(nc[n-]c3=O)C2)c([N+](=O)[O-])c1 ZINC000561774837 293102405 /nfs/dbraw/zinc/10/24/05/293102405.db2.gz FFMTYUNKJUOSKX-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM CCOc1cc(CN(C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000563282613 293333351 /nfs/dbraw/zinc/33/33/51/293333351.db2.gz JEJXLEVQXFJNES-UHFFFAOYSA-N -1 3 268.269 1.510 20 5 CDBDHM COc1cc(CN(C)[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000570649926 294281104 /nfs/dbraw/zinc/28/11/04/294281104.db2.gz NLYRJHJQZHCFDH-VIFPVBQESA-N -1 3 282.296 1.898 20 5 CDBDHM Cc1nn(C)c([N-]c2cc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000286611841 482443693 /nfs/dbraw/zinc/44/36/93/482443693.db2.gz UABZIYKOYXSVQH-UHFFFAOYSA-N -1 3 276.300 1.913 20 5 CDBDHM C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633481 1174446833 /nfs/dbraw/zinc/44/68/33/1174446833.db2.gz KSUFWJPGMCTWSM-ZCFIWIBFSA-N -1 3 258.661 1.811 20 5 CDBDHM NC(=O)c1sccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000769703175 575374383 /nfs/dbraw/zinc/37/43/83/575374383.db2.gz KUTWDJNKTTUUAL-UHFFFAOYSA-N -1 3 281.249 1.601 20 5 CDBDHM CSCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768795677 576308895 /nfs/dbraw/zinc/30/88/95/576308895.db2.gz TVSXVIOXBLPJHV-UHFFFAOYSA-N -1 3 282.368 1.298 20 5 CDBDHM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768885762 576315914 /nfs/dbraw/zinc/31/59/14/576315914.db2.gz BXEMJARPNSRHQE-RNFRBKRXSA-N -1 3 294.354 1.094 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC(F)F)c1 ZINC000760140297 576460534 /nfs/dbraw/zinc/46/05/34/576460534.db2.gz FFHVMHQNTJMTNI-UHFFFAOYSA-N -1 3 276.195 1.530 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCC(F)F ZINC000760150401 576461922 /nfs/dbraw/zinc/46/19/22/576461922.db2.gz KIDORARPDGQBHB-UHFFFAOYSA-N -1 3 260.196 1.450 20 5 CDBDHM Cc1cn(Cc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000822384675 607329603 /nfs/dbraw/zinc/32/96/03/607329603.db2.gz OXPHAXYUCNHLGJ-UHFFFAOYSA-N -1 3 284.279 1.933 20 5 CDBDHM Cc1cn(Cc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000822384675 607329604 /nfs/dbraw/zinc/32/96/04/607329604.db2.gz OXPHAXYUCNHLGJ-UHFFFAOYSA-N -1 3 284.279 1.933 20 5 CDBDHM CN(CCC1CC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825918273 607562926 /nfs/dbraw/zinc/56/29/26/607562926.db2.gz CXIUYEYFCMZVDW-UHFFFAOYSA-N -1 3 289.299 1.406 20 5 CDBDHM CN(CCC1CC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825918273 607562927 /nfs/dbraw/zinc/56/29/27/607562927.db2.gz CXIUYEYFCMZVDW-UHFFFAOYSA-N -1 3 289.299 1.406 20 5 CDBDHM C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820715739 606416951 /nfs/dbraw/zinc/41/69/51/606416951.db2.gz DZJHFFWJPRXCHM-MRVPVSSYSA-N -1 3 274.284 1.764 20 5 CDBDHM C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820715739 606416953 /nfs/dbraw/zinc/41/69/53/606416953.db2.gz DZJHFFWJPRXCHM-MRVPVSSYSA-N -1 3 274.284 1.764 20 5 CDBDHM C[C@@H]1OCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825019814 608148016 /nfs/dbraw/zinc/14/80/16/608148016.db2.gz HDEUQRMTUBQPFT-CBAPKCEASA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1OCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825019814 608148017 /nfs/dbraw/zinc/14/80/17/608148017.db2.gz HDEUQRMTUBQPFT-CBAPKCEASA-N -1 3 290.283 1.364 20 5 CDBDHM CCOCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825595317 608241214 /nfs/dbraw/zinc/24/12/14/608241214.db2.gz YGAUPHZAXIJJBH-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM CCOCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825595317 608241216 /nfs/dbraw/zinc/24/12/16/608241216.db2.gz YGAUPHZAXIJJBH-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM CC(COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[N+](=O)[O-] ZINC001604203784 1163124759 /nfs/dbraw/zinc/12/47/59/1163124759.db2.gz STIZABCDIRISRD-HRDYMLBCSA-N -1 3 259.258 1.086 20 5 CDBDHM Cc1nn(Cc2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC001606116346 1163778276 /nfs/dbraw/zinc/77/82/76/1163778276.db2.gz XITXWUYLOXUCHB-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1nn(Cc2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC001606116346 1163778281 /nfs/dbraw/zinc/77/82/81/1163778281.db2.gz XITXWUYLOXUCHB-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1[N+](=O)[O-] ZINC001607780964 1164293371 /nfs/dbraw/zinc/29/33/71/1164293371.db2.gz GZDIGVXKLAQHFO-PJXYFTJBSA-N -1 3 276.292 1.666 20 5 CDBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590312490 1173347200 /nfs/dbraw/zinc/34/72/00/1173347200.db2.gz OGFMGJSJAQWOJR-YUMQZZPRSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590312490 1173347207 /nfs/dbraw/zinc/34/72/07/1173347207.db2.gz OGFMGJSJAQWOJR-YUMQZZPRSA-N -1 3 274.284 1.620 20 5 CDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@H]2C)n1 ZINC001600107628 1174363215 /nfs/dbraw/zinc/36/32/15/1174363215.db2.gz ZPKSFNKEEKNJDO-WCBMZHEXSA-N -1 3 294.311 1.501 20 5 CDBDHM CC12CC(C1)CN2c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603821187 1175642624 /nfs/dbraw/zinc/64/26/24/1175642624.db2.gz GJSKAESMJRONAV-UHFFFAOYSA-N -1 3 286.295 1.764 20 5 CDBDHM CC12CC(C1)CN2c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603821187 1175642629 /nfs/dbraw/zinc/64/26/29/1175642629.db2.gz GJSKAESMJRONAV-UHFFFAOYSA-N -1 3 286.295 1.764 20 5 CDBDHM C[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603950150 1175694573 /nfs/dbraw/zinc/69/45/73/1175694573.db2.gz ZUUYSUVTMSXQIN-RDDDGLTNSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603950150 1175694579 /nfs/dbraw/zinc/69/45/79/1175694579.db2.gz ZUUYSUVTMSXQIN-RDDDGLTNSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@H]1CC[C@@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609163027 1164809084 /nfs/dbraw/zinc/80/90/84/1164809084.db2.gz QBDBLGLLMKAIJF-CBAPKCEASA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@H]1CC[C@@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609163027 1164809091 /nfs/dbraw/zinc/80/90/91/1164809091.db2.gz QBDBLGLLMKAIJF-CBAPKCEASA-N -1 3 274.284 1.985 20 5 CDBDHM CC(C)[C@H](CO)O[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000836893678 777438184 /nfs/dbraw/zinc/43/81/84/777438184.db2.gz YLWCHGYFPJXCLQ-ZDUSSCGKSA-N -1 3 296.323 1.592 20 5 CDBDHM COC(=O)c1n[nH]cc1[N-]c1ncc(F)c(C)c1[N+](=O)[O-] ZINC001169571061 928187896 /nfs/dbraw/zinc/18/78/96/928187896.db2.gz DDKXEYLAPNPLGV-UHFFFAOYSA-N -1 3 295.230 1.691 20 5 CDBDHM Cc1ncc(Nc2ncc([N+](=O)[O-])c(C)c2C)c(=O)[n-]1 ZINC001162301820 938975298 /nfs/dbraw/zinc/97/52/98/938975298.db2.gz UVYDVUJHELCHSG-VIFPVBQESA-N -1 3 275.268 1.417 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001164371980 939466277 /nfs/dbraw/zinc/46/62/77/939466277.db2.gz IRYPPDUOFPYWJK-ZETCQYMHSA-N -1 3 297.702 1.567 20 5 CDBDHM CC(C)(C)[NH+]1CC(Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225660488 941894977 /nfs/dbraw/zinc/89/49/77/941894977.db2.gz FXZNLQDRLPWJFW-UHFFFAOYSA-N -1 3 267.285 1.557 20 5 CDBDHM CC(C)(C)N1CC(Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225660488 941894982 /nfs/dbraw/zinc/89/49/82/941894982.db2.gz FXZNLQDRLPWJFW-UHFFFAOYSA-N -1 3 267.285 1.557 20 5 CDBDHM COC(=O)[C@@H]1CCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665956 941896947 /nfs/dbraw/zinc/89/69/47/941896947.db2.gz DMPZABKVYJFLKY-APPZFPTMSA-N -1 3 282.252 1.416 20 5 CDBDHM CC(C)OC(=O)COc1nccc([O-])c1[N+](=O)[O-] ZINC001225667642 941897012 /nfs/dbraw/zinc/89/70/12/941897012.db2.gz VAIUSRREEPAZIV-UHFFFAOYSA-N -1 3 256.214 1.026 20 5 CDBDHM Cc1nnc(=O)[n-]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001226463330 942009636 /nfs/dbraw/zinc/00/96/36/942009636.db2.gz GJNNWLHVXPVHRB-QMMMGPOBSA-N -1 3 276.252 1.934 20 5 CDBDHM O=C1OC[C@@H](COc2nc3ccc([N+](=O)[O-])cc3[n-]2)O1 ZINC001227744015 942215613 /nfs/dbraw/zinc/21/56/13/942215613.db2.gz CRUYIWLUHHJMJD-SSDOTTSWSA-N -1 3 279.208 1.385 20 5 CDBDHM O=C1OC[C@@H](COc2nc3cc([N+](=O)[O-])ccc3[n-]2)O1 ZINC001227744015 942215620 /nfs/dbraw/zinc/21/56/20/942215620.db2.gz CRUYIWLUHHJMJD-SSDOTTSWSA-N -1 3 279.208 1.385 20 5 CDBDHM CC(C)n1cnnc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001333699490 958524852 /nfs/dbraw/zinc/52/48/52/958524852.db2.gz JBJWWZUVJGHLRP-UHFFFAOYSA-N -1 3 278.272 1.480 20 5 CDBDHM COCCSc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605121665 1163459717 /nfs/dbraw/zinc/45/97/17/1163459717.db2.gz WCKVGYBITQFYIV-UHFFFAOYSA-N -1 3 281.297 1.513 20 5 CDBDHM COCCSc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605121665 1163459720 /nfs/dbraw/zinc/45/97/20/1163459720.db2.gz WCKVGYBITQFYIV-UHFFFAOYSA-N -1 3 281.297 1.513 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000533070492 282081121 /nfs/dbraw/zinc/08/11/21/282081121.db2.gz NCEAYKKXROFVLE-MRVPVSSYSA-N -1 3 298.249 1.797 20 5 CDBDHM Cc1ncc(CNCc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000344324758 282154085 /nfs/dbraw/zinc/15/40/85/282154085.db2.gz HJVNTCMZLCIELG-UHFFFAOYSA-N -1 3 274.280 1.689 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC(C)C1 ZINC000080815785 342212762 /nfs/dbraw/zinc/21/27/62/342212762.db2.gz YDVFQOIHEJTJMY-UHFFFAOYSA-N -1 3 284.337 1.980 20 5 CDBDHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000092939762 342269053 /nfs/dbraw/zinc/26/90/53/342269053.db2.gz SSARDNNGKZVAED-KOLCDFICSA-N -1 3 294.307 1.898 20 5 CDBDHM CC[C@@H](O)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147090 343244116 /nfs/dbraw/zinc/24/41/16/343244116.db2.gz SEICKMYAKPCDON-MRVPVSSYSA-N -1 3 255.274 1.658 20 5 CDBDHM O=c1[n-]ccc(NCCOCC2CC2)c1[N+](=O)[O-] ZINC000596120513 343247735 /nfs/dbraw/zinc/24/77/35/343247735.db2.gz SAFWMMLGLMNBEM-UHFFFAOYSA-N -1 3 253.258 1.534 20 5 CDBDHM CN(C[C@@H](O)C(F)(F)F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596186227 343251718 /nfs/dbraw/zinc/25/17/18/343251718.db2.gz SAGUYOXZFRPQNC-ZCFIWIBFSA-N -1 3 281.190 1.055 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000596247097 343286525 /nfs/dbraw/zinc/28/65/25/343286525.db2.gz HXSBVIXBWGGCSV-QMMMGPOBSA-N -1 3 253.258 1.047 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000596172632 343259345 /nfs/dbraw/zinc/25/93/45/343259345.db2.gz WHWGTYRLHHTVLX-NXEZZACHSA-N -1 3 279.296 1.558 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CC[S@@](=O)c1ccc([O-])cc1 ZINC000601913930 344279517 /nfs/dbraw/zinc/27/95/17/344279517.db2.gz VUIGVMBOGGNZIX-HXUWFJFHSA-N -1 3 295.320 1.613 20 5 CDBDHM CN(C)CCn1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000603920687 344845456 /nfs/dbraw/zinc/84/54/56/344845456.db2.gz CCFBLEOSCVQWIT-UHFFFAOYSA-N -1 3 276.296 1.093 20 5 CDBDHM COc1cc(C(=O)[N-]c2ncn(C)n2)cc([N+](=O)[O-])c1C ZINC000293551905 362574594 /nfs/dbraw/zinc/57/45/94/362574594.db2.gz BTHVFISODNBLOJ-UHFFFAOYSA-N -1 3 291.267 1.293 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000344532699 362928755 /nfs/dbraw/zinc/92/87/55/362928755.db2.gz OWLLHHXYOPAMJR-UHFFFAOYSA-N -1 3 291.267 1.293 20 5 CDBDHM Cc1csc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000064337130 348939345 /nfs/dbraw/zinc/93/93/45/348939345.db2.gz AUPDGFSMCYTRKT-UHFFFAOYSA-N -1 3 267.270 1.644 20 5 CDBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)F ZINC000074969853 366119365 /nfs/dbraw/zinc/11/93/65/366119365.db2.gz APAVBRFZGPJWNY-UHFFFAOYSA-N -1 3 280.252 1.447 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C)n2)c1 ZINC000283980273 357623656 /nfs/dbraw/zinc/62/36/56/357623656.db2.gz MQAINKYXELSBKE-UHFFFAOYSA-N -1 3 291.267 1.672 20 5 CDBDHM C[C@@H]1CCN(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000541729901 358754963 /nfs/dbraw/zinc/75/49/63/358754963.db2.gz PQRYYLHLACWMMX-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N2CCc3c(nc[n-]c3=O)C2)c1 ZINC000570123171 359282723 /nfs/dbraw/zinc/28/27/23/359282723.db2.gz HADPWXYZJWVWFI-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM O=C([O-])[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000033648855 360040919 /nfs/dbraw/zinc/04/09/19/360040919.db2.gz MWPZSYAHKFTRGM-LLVKDONJSA-N -1 3 250.254 1.644 20 5 CDBDHM C[C@H]1CC([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])=NO1 ZINC000272177061 367275013 /nfs/dbraw/zinc/27/50/13/367275013.db2.gz YCYOXVXVLGZRBA-LURJTMIESA-N -1 3 267.216 1.586 20 5 CDBDHM CC[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000420751630 244360090 /nfs/dbraw/zinc/36/00/90/244360090.db2.gz WUZIKMKAPSAOOX-SSDOTTSWSA-N -1 3 294.354 1.014 20 5 CDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc[nH]n2)c1 ZINC000026260407 369771223 /nfs/dbraw/zinc/77/12/23/369771223.db2.gz BCGYDBHYWOYKST-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM O=C([N-]c1nc[nH]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113702144 374273637 /nfs/dbraw/zinc/27/36/37/374273637.db2.gz HKBIWZMVSNSFEL-UHFFFAOYSA-N -1 3 251.177 1.104 20 5 CDBDHM CCOC([O-])=NOCCOc1cccc([N+](=O)[O-])c1 ZINC000496145722 375716809 /nfs/dbraw/zinc/71/68/09/375716809.db2.gz HBHRDVPHDWNCGF-UHFFFAOYSA-N -1 3 270.241 1.651 20 5 CDBDHM CCOC(=O)[N-]OCCOc1cccc([N+](=O)[O-])c1 ZINC000496145722 375716812 /nfs/dbraw/zinc/71/68/12/375716812.db2.gz HBHRDVPHDWNCGF-UHFFFAOYSA-N -1 3 270.241 1.651 20 5 CDBDHM Nc1nccc(C(=O)Nc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000547759933 377821755 /nfs/dbraw/zinc/82/17/55/377821755.db2.gz VAOUTNOZKMEZJL-UHFFFAOYSA-N -1 3 274.236 1.360 20 5 CDBDHM O=C([N-]c1scnc1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000345296375 377834502 /nfs/dbraw/zinc/83/45/02/377834502.db2.gz FWIGTLTWFWATPU-UHFFFAOYSA-N -1 3 279.281 1.904 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)F ZINC000173810231 379283079 /nfs/dbraw/zinc/28/30/79/379283079.db2.gz PWMMRMOZYSQNJF-UHFFFAOYSA-N -1 3 280.252 1.447 20 5 CDBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]O[C@H]1CCOC1 ZINC000492473707 253227626 /nfs/dbraw/zinc/22/76/26/253227626.db2.gz NQIVILQWJIYZJP-RYBZSIHZSA-N -1 3 278.264 1.445 20 5 CDBDHM C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000285853486 390185556 /nfs/dbraw/zinc/18/55/56/390185556.db2.gz ASNNROMRAIRWAX-DTWKUNHWSA-N -1 3 279.296 1.123 20 5 CDBDHM C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286033365 390188962 /nfs/dbraw/zinc/18/89/62/390188962.db2.gz KKCCEZJKZNHDDL-DTWKUNHWSA-N -1 3 279.296 1.123 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000128012448 390813823 /nfs/dbraw/zinc/81/38/23/390813823.db2.gz AQIULCXQDCRIEX-UHFFFAOYSA-N -1 3 294.242 1.103 20 5 CDBDHM COc1cnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000574061267 391748926 /nfs/dbraw/zinc/74/89/26/391748926.db2.gz NDTOELAOKUAOOE-UHFFFAOYSA-N -1 3 296.264 1.413 20 5 CDBDHM O=C([N-]c1ccccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000133175254 391919934 /nfs/dbraw/zinc/91/99/34/391919934.db2.gz DZZJFQGUOMYHNP-UHFFFAOYSA-N -1 3 250.189 1.709 20 5 CDBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccn1 ZINC000194691702 392858238 /nfs/dbraw/zinc/85/82/38/392858238.db2.gz DXJRRNBIRIUEOL-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc([N+](=O)[O-])[n-]1 ZINC000356202118 157394750 /nfs/dbraw/zinc/39/47/50/157394750.db2.gz FPTVIJZVKKQUFL-UHFFFAOYSA-N -1 3 298.262 1.960 20 5 CDBDHM COCc1nocc1C(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000362373508 159133258 /nfs/dbraw/zinc/13/32/58/159133258.db2.gz LZELBJDJFQICJE-UHFFFAOYSA-N -1 3 277.236 1.982 20 5 CDBDHM CC(C)=CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589379538 1173141138 /nfs/dbraw/zinc/14/11/38/1173141138.db2.gz QSFYPKVXGMUFBC-UHFFFAOYSA-N -1 3 275.272 1.548 20 5 CDBDHM CC(C)=CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589379538 1173141141 /nfs/dbraw/zinc/14/11/41/1173141141.db2.gz QSFYPKVXGMUFBC-UHFFFAOYSA-N -1 3 275.272 1.548 20 5 CDBDHM COCCO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000135128921 279803931 /nfs/dbraw/zinc/80/39/31/279803931.db2.gz JKPCRJOHWLBTEB-VOTSOKGWSA-N -1 3 266.253 1.302 20 5 CDBDHM O=C(N=c1cc2ccccn2[n-]1)c1csc([N+](=O)[O-])c1 ZINC000557526745 290350164 /nfs/dbraw/zinc/35/01/64/290350164.db2.gz KFPOTHWQNZTQFH-UHFFFAOYSA-N -1 3 288.288 1.978 20 5 CDBDHM CSCCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591699649 1173688047 /nfs/dbraw/zinc/68/80/47/1173688047.db2.gz JNZBPJSPLZTVGS-UHFFFAOYSA-N -1 3 295.328 1.335 20 5 CDBDHM CSCCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591699649 1173688051 /nfs/dbraw/zinc/68/80/51/1173688051.db2.gz JNZBPJSPLZTVGS-UHFFFAOYSA-N -1 3 295.328 1.335 20 5 CDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccoc2)cs1 ZINC000768809974 576309511 /nfs/dbraw/zinc/30/95/11/576309511.db2.gz KIEQSUKDDCXFAB-UHFFFAOYSA-N -1 3 288.306 1.728 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccon1 ZINC000823629719 606165445 /nfs/dbraw/zinc/16/54/45/606165445.db2.gz FQMITVSPEZUQPW-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccon1 ZINC000823629719 606165447 /nfs/dbraw/zinc/16/54/47/606165447.db2.gz FQMITVSPEZUQPW-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM Cc1cccc(CO[N-]C(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000898930208 621956409 /nfs/dbraw/zinc/95/64/09/621956409.db2.gz GMBIEUMLDJLFKM-UHFFFAOYSA-N -1 3 281.312 1.773 20 5 CDBDHM CN(CC1CC1)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001604728375 1163299757 /nfs/dbraw/zinc/29/97/57/1163299757.db2.gz MIJOOHOKLWJUQT-UHFFFAOYSA-N -1 3 289.299 1.203 20 5 CDBDHM CN(CC1CC1)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001604728375 1163299761 /nfs/dbraw/zinc/29/97/61/1163299761.db2.gz MIJOOHOKLWJUQT-UHFFFAOYSA-N -1 3 289.299 1.203 20 5 CDBDHM C[C@H](O)CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605442456 1163565650 /nfs/dbraw/zinc/56/56/50/1163565650.db2.gz SWQYNZUKXZWNIQ-ZETCQYMHSA-N -1 3 295.324 1.389 20 5 CDBDHM C[C@H](O)CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605442456 1163565657 /nfs/dbraw/zinc/56/56/57/1163565657.db2.gz SWQYNZUKXZWNIQ-ZETCQYMHSA-N -1 3 295.324 1.389 20 5 CDBDHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001589880727 1173196574 /nfs/dbraw/zinc/19/65/74/1173196574.db2.gz IHQXSHNFEIUCLT-ZETCQYMHSA-N -1 3 289.299 1.628 20 5 CDBDHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001589880727 1173196579 /nfs/dbraw/zinc/19/65/79/1173196579.db2.gz IHQXSHNFEIUCLT-ZETCQYMHSA-N -1 3 289.299 1.628 20 5 CDBDHM C[C@@H](O)CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589998676 1173229734 /nfs/dbraw/zinc/22/97/34/1173229734.db2.gz LMVABQGHXAAVGP-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1C2CCC1CC2 ZINC001593470911 1174083017 /nfs/dbraw/zinc/08/30/17/1174083017.db2.gz QHDVOXXJARANJY-UHFFFAOYSA-N -1 3 287.283 1.301 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1C2CCC1CC2 ZINC001593470911 1174083020 /nfs/dbraw/zinc/08/30/20/1174083020.db2.gz QHDVOXXJARANJY-UHFFFAOYSA-N -1 3 287.283 1.301 20 5 CDBDHM CC(C)(O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603171470 1175506974 /nfs/dbraw/zinc/50/69/74/1175506974.db2.gz MFWQQQKGENRVEK-UHFFFAOYSA-N -1 3 292.299 1.348 20 5 CDBDHM CC(C)(O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603171470 1175506978 /nfs/dbraw/zinc/50/69/78/1175506978.db2.gz MFWQQQKGENRVEK-UHFFFAOYSA-N -1 3 292.299 1.348 20 5 CDBDHM CC1=C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CC(=O)O1 ZINC001225666351 903639669 /nfs/dbraw/zinc/63/96/69/903639669.db2.gz HJVACINEDPUKAX-SSDOTTSWSA-N -1 3 266.209 1.294 20 5 CDBDHM COCCn1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199828501 925894014 /nfs/dbraw/zinc/89/40/14/925894014.db2.gz KKPHPKYTFPRUNY-UHFFFAOYSA-N -1 3 278.268 1.887 20 5 CDBDHM Cc1cnn(CCO)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828628 925894553 /nfs/dbraw/zinc/89/45/53/925894553.db2.gz OZNYTDHZORWACJ-UHFFFAOYSA-N -1 3 278.268 1.541 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CCC2(CC1)OCCO2 ZINC001225662283 941896336 /nfs/dbraw/zinc/89/63/36/941896336.db2.gz SHAFYNVBWNIZGI-UHFFFAOYSA-N -1 3 296.279 1.760 20 5 CDBDHM CC(=O)c1c(O)cc([O-])cc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001225679944 941898992 /nfs/dbraw/zinc/89/89/92/941898992.db2.gz STECTPTUKWDMJV-GFCCVEGCSA-N -1 3 281.264 1.735 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@H]2CCCOC2)c2[n-]cnc21 ZINC001227693034 942204621 /nfs/dbraw/zinc/20/46/21/942204621.db2.gz JGIHEUSXLMLYBT-ZETCQYMHSA-N -1 3 264.241 1.424 20 5 CDBDHM O=[N+]([O-])C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001227745449 942217912 /nfs/dbraw/zinc/21/79/12/942217912.db2.gz NHKWLTHCVMMLHN-LLVKDONJSA-N -1 3 292.251 1.905 20 5 CDBDHM Cc1cc2[n-]c(OC[C@@H]3CCC(=O)O3)nc2cc1[N+](=O)[O-] ZINC001228675058 942353678 /nfs/dbraw/zinc/35/36/78/942353678.db2.gz MYVXEDGPINMBNW-QMMMGPOBSA-N -1 3 291.263 1.864 20 5 CDBDHM C[C@@H](O)[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593472682 995407722 /nfs/dbraw/zinc/40/77/22/995407722.db2.gz UWINBTYFYHOCMG-BXKDBHETSA-N -1 3 294.307 1.638 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC1CCC1 ZINC001593468857 1174080302 /nfs/dbraw/zinc/08/03/02/1174080302.db2.gz RVNNYUADVPKEOY-UHFFFAOYSA-N -1 3 278.247 1.878 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC1CCC1 ZINC001593468857 1174080308 /nfs/dbraw/zinc/08/03/08/1174080308.db2.gz RVNNYUADVPKEOY-UHFFFAOYSA-N -1 3 278.247 1.878 20 5 CDBDHM COc1ccc(S(=O)(=O)[N-]C(C)C)c([N+](=O)[O-])c1 ZINC000070249045 361868493 /nfs/dbraw/zinc/86/84/93/361868493.db2.gz VHSMKSFOHIQUAO-UHFFFAOYSA-N -1 3 274.298 1.290 20 5 CDBDHM Cc1noc(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596105385 343228524 /nfs/dbraw/zinc/22/85/24/343228524.db2.gz PFZZWZGSDRBHNQ-UHFFFAOYSA-N -1 3 279.256 1.432 20 5 CDBDHM COCCOC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596133167 343238876 /nfs/dbraw/zinc/23/88/76/343238876.db2.gz VMFHXJLBAQRCTP-UHFFFAOYSA-N -1 3 297.311 1.327 20 5 CDBDHM CC1(CO)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596198700 343263069 /nfs/dbraw/zinc/26/30/69/343263069.db2.gz RAIHPFYTTLSICJ-UHFFFAOYSA-N -1 3 267.285 1.294 20 5 CDBDHM O=c1[n-]ccc(NCCC2(O)CCC2)c1[N+](=O)[O-] ZINC000596226692 343272296 /nfs/dbraw/zinc/27/22/96/343272296.db2.gz RDWATSVOUCSAEW-UHFFFAOYSA-N -1 3 253.258 1.412 20 5 CDBDHM CS[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596249594 343274072 /nfs/dbraw/zinc/27/40/72/343274072.db2.gz JXKAAXQMDUUPDR-ZETCQYMHSA-N -1 3 255.299 1.637 20 5 CDBDHM CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1 ZINC000598569087 343831843 /nfs/dbraw/zinc/83/18/43/343831843.db2.gz ABBHNBCAIBGRLW-GFCCVEGCSA-N -1 3 293.323 1.370 20 5 CDBDHM CCCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000101568082 362363806 /nfs/dbraw/zinc/36/38/06/362363806.db2.gz DQBNSPDHDOHRBT-UHFFFAOYSA-N -1 3 272.326 1.982 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CC[S@@](=O)c1cccc([O-])c1 ZINC000601910513 344278826 /nfs/dbraw/zinc/27/88/26/344278826.db2.gz GYAHKNAIJLTUSK-HXUWFJFHSA-N -1 3 295.320 1.613 20 5 CDBDHM Cc1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1[O-] ZINC000129884232 346152598 /nfs/dbraw/zinc/15/25/98/346152598.db2.gz LGZOXSLUVDBLOL-UHFFFAOYSA-N -1 3 276.252 1.595 20 5 CDBDHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc([N+](=O)[O-])c1 ZINC000191029481 358108913 /nfs/dbraw/zinc/10/89/13/358108913.db2.gz RNDAWLJXFIZQOV-SECBINFHSA-N -1 3 281.268 1.684 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936055 358729924 /nfs/dbraw/zinc/72/99/24/358729924.db2.gz GXRPMEUUHIFGEJ-CQSZACIVSA-N -1 3 294.307 1.900 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H](C)c1nnn[n-]1 ZINC000095320509 359749050 /nfs/dbraw/zinc/74/90/50/359749050.db2.gz CDLJUWKZZIAMRX-MRVPVSSYSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H](C)c1nn[n-]n1 ZINC000095320509 359749052 /nfs/dbraw/zinc/74/90/52/359749052.db2.gz CDLJUWKZZIAMRX-MRVPVSSYSA-N -1 3 277.288 1.051 20 5 CDBDHM C[C@@H](CCCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000094946724 367736426 /nfs/dbraw/zinc/73/64/26/367736426.db2.gz ZHYYZNWHSHMVQU-VIFPVBQESA-N -1 3 288.325 1.034 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc[nH]1 ZINC000072713874 369124742 /nfs/dbraw/zinc/12/47/42/369124742.db2.gz YDKJQHSRBVZKRI-UHFFFAOYSA-N -1 3 295.320 1.710 20 5 CDBDHM O=[N+]([O-])c1ccc(NC([O-])=NOC[C@@H]2CCOC2)c(F)c1 ZINC000276252633 193258307 /nfs/dbraw/zinc/25/83/07/193258307.db2.gz RDXRDROKGZCFOW-MRVPVSSYSA-N -1 3 299.258 1.824 20 5 CDBDHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000276252633 193258309 /nfs/dbraw/zinc/25/83/09/193258309.db2.gz RDXRDROKGZCFOW-MRVPVSSYSA-N -1 3 299.258 1.824 20 5 CDBDHM Cn1ncnc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000177688081 372923609 /nfs/dbraw/zinc/92/36/09/372923609.db2.gz TXFSHPGSISJMOX-UHFFFAOYSA-N -1 3 253.243 1.037 20 5 CDBDHM COc1cc(CNCCN2CCC2)c([N+](=O)[O-])cc1[O-] ZINC000344875914 375626047 /nfs/dbraw/zinc/62/60/47/375626047.db2.gz BTPUYHWCKPXPFI-UHFFFAOYSA-N -1 3 281.312 1.104 20 5 CDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nncs1 ZINC000354421505 375708428 /nfs/dbraw/zinc/70/84/28/375708428.db2.gz QOYLIUWPBGTRCR-UHFFFAOYSA-N -1 3 265.254 1.281 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](CCCO)C1 ZINC000449790547 251026238 /nfs/dbraw/zinc/02/62/38/251026238.db2.gz LJPUIAXHKQYQDP-LLVKDONJSA-N -1 3 280.324 1.895 20 5 CDBDHM COCCCO[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000288173455 197020131 /nfs/dbraw/zinc/02/01/31/197020131.db2.gz OXPNEBZUBFGSLU-UHFFFAOYSA-N -1 3 284.268 1.301 20 5 CDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CC2)cc1C ZINC000048840474 391376928 /nfs/dbraw/zinc/37/69/28/391376928.db2.gz XBEUNJFDJVXESV-UHFFFAOYSA-N -1 3 284.337 1.900 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596092340 392622465 /nfs/dbraw/zinc/62/24/65/392622465.db2.gz UDEMPQRSTKTXRH-QMMMGPOBSA-N -1 3 253.258 1.676 20 5 CDBDHM CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000217315949 140163612 /nfs/dbraw/zinc/16/36/12/140163612.db2.gz MBHXJDDVFTYFBJ-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM Cc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1[O-] ZINC000354566391 156523628 /nfs/dbraw/zinc/52/36/28/156523628.db2.gz HBIRTMRQDGOYRH-UHFFFAOYSA-N -1 3 290.279 1.235 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2nnc(C(F)(F)F)[n-]2)nc1 ZINC000359714081 158348353 /nfs/dbraw/zinc/34/83/53/158348353.db2.gz NDHDPRTYPCUJLE-UHFFFAOYSA-N -1 3 289.177 1.134 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2n[n-]c(C(F)(F)F)n2)nc1 ZINC000359714081 158348356 /nfs/dbraw/zinc/34/83/56/158348356.db2.gz NDHDPRTYPCUJLE-UHFFFAOYSA-N -1 3 289.177 1.134 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2nc(C(F)(F)F)n[n-]2)nc1 ZINC000359714081 158348358 /nfs/dbraw/zinc/34/83/58/158348358.db2.gz NDHDPRTYPCUJLE-UHFFFAOYSA-N -1 3 289.177 1.134 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C(=O)[O-] ZINC000035388925 172171144 /nfs/dbraw/zinc/17/11/44/172171144.db2.gz GSXNKKJHMXAFLI-SSDOTTSWSA-N -1 3 254.242 1.166 20 5 CDBDHM CN(C)c1n[nH]c([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000340967148 273823999 /nfs/dbraw/zinc/82/39/99/273823999.db2.gz CCDWIUXYIIIOOO-UHFFFAOYSA-N -1 3 282.285 1.093 20 5 CDBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000567773827 293867598 /nfs/dbraw/zinc/86/75/98/293867598.db2.gz OFIPHGOAUCNUPQ-IUCAKERBSA-N -1 3 286.309 1.051 20 5 CDBDHM CCON(CC)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590818688 1173522783 /nfs/dbraw/zinc/52/27/83/1173522783.db2.gz GUFYGWKNWNDRIJ-UHFFFAOYSA-N -1 3 278.272 1.553 20 5 CDBDHM CCON(CC)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590818688 1173522785 /nfs/dbraw/zinc/52/27/85/1173522785.db2.gz GUFYGWKNWNDRIJ-UHFFFAOYSA-N -1 3 278.272 1.553 20 5 CDBDHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000049239439 524955980 /nfs/dbraw/zinc/95/59/80/524955980.db2.gz BEYXUXQSIRXSGE-YUMQZZPRSA-N -1 3 288.300 1.668 20 5 CDBDHM CCCN(CCN(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160271633 528073689 /nfs/dbraw/zinc/07/36/89/528073689.db2.gz HOSGVIDMZDWARW-UHFFFAOYSA-N -1 3 295.339 1.714 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000732215833 575084069 /nfs/dbraw/zinc/08/40/69/575084069.db2.gz HMBLMGMEDAVTQK-UHFFFAOYSA-N -1 3 297.292 1.702 20 5 CDBDHM CN1CCC(ONC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000773548373 575823405 /nfs/dbraw/zinc/82/34/05/575823405.db2.gz WVIPMSLRPPJTBR-UHFFFAOYSA-N -1 3 295.295 1.056 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCC2CC2)c(-c2nnn[n-]2)c1 ZINC000823640099 599078469 /nfs/dbraw/zinc/07/84/69/599078469.db2.gz SIXOCWNTPOTSJC-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCC2CC2)c(-c2nn[n-]n2)c1 ZINC000823640099 599078472 /nfs/dbraw/zinc/07/84/72/599078472.db2.gz SIXOCWNTPOTSJC-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000903600673 626030934 /nfs/dbraw/zinc/03/09/34/626030934.db2.gz CFPOADMTRSXLRN-CQSZACIVSA-N -1 3 293.323 1.923 20 5 CDBDHM CCC[C@H](O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604147080 1163106956 /nfs/dbraw/zinc/10/69/56/1163106956.db2.gz LQCJTXPKIYXMLN-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@H](O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604147080 1163106964 /nfs/dbraw/zinc/10/69/64/1163106964.db2.gz LQCJTXPKIYXMLN-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM Cc1oc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])nc1C1CC1 ZINC001157538686 1162165041 /nfs/dbraw/zinc/16/50/41/1162165041.db2.gz OAHHTWDDODEADU-UHFFFAOYSA-N -1 3 277.240 1.744 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cnccn1 ZINC001607082749 1164070748 /nfs/dbraw/zinc/07/07/48/1164070748.db2.gz RIQZWNGLJLPERG-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cnccn1 ZINC001607082749 1164070757 /nfs/dbraw/zinc/07/07/57/1164070757.db2.gz RIQZWNGLJLPERG-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001609175190 1164816194 /nfs/dbraw/zinc/81/61/94/1164816194.db2.gz JLASJDPHIGCTGN-RKDXNWHRSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001609175190 1164816202 /nfs/dbraw/zinc/81/62/02/1164816202.db2.gz JLASJDPHIGCTGN-RKDXNWHRSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CCN1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590275495 1173336060 /nfs/dbraw/zinc/33/60/60/1173336060.db2.gz BYCXMAFNVFYIEB-ZETCQYMHSA-N -1 3 260.257 1.374 20 5 CDBDHM C[C@H]1CCN1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590275495 1173336066 /nfs/dbraw/zinc/33/60/66/1173336066.db2.gz BYCXMAFNVFYIEB-ZETCQYMHSA-N -1 3 260.257 1.374 20 5 CDBDHM CC(C)(F)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603158224 1175504845 /nfs/dbraw/zinc/50/48/45/1175504845.db2.gz WIVWQAORIBHKSK-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM CC(C)(F)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603158224 1175504849 /nfs/dbraw/zinc/50/48/49/1175504849.db2.gz WIVWQAORIBHKSK-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM CCN(CC)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001609998129 1165177677 /nfs/dbraw/zinc/17/76/77/1165177677.db2.gz VOLTZTBGBUOFHB-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM CC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001094196766 910397749 /nfs/dbraw/zinc/39/77/49/910397749.db2.gz FLKZHEMHIZAOML-UHFFFAOYSA-N -1 3 280.284 1.024 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(F)(F)C1 ZINC000826497358 930973215 /nfs/dbraw/zinc/97/32/15/930973215.db2.gz DZMFXZPXOSCFGK-UHFFFAOYSA-N -1 3 296.237 1.620 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(F)(F)C1 ZINC000826497358 930973221 /nfs/dbraw/zinc/97/32/21/930973221.db2.gz DZMFXZPXOSCFGK-UHFFFAOYSA-N -1 3 296.237 1.620 20 5 CDBDHM Cc1cc(=O)[n-]c(N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001120906203 937846281 /nfs/dbraw/zinc/84/62/81/937846281.db2.gz DYKRQHXKFQGIIP-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM O=C([N-]c1cc(F)ccn1)c1n[nH]cc1[N+](=O)[O-] ZINC001161619366 938915362 /nfs/dbraw/zinc/91/53/62/938915362.db2.gz VIDBSWLJJLRJAG-UHFFFAOYSA-N -1 3 251.177 1.104 20 5 CDBDHM Cc1ncc(Nc2ncnc3cc([N+](=O)[O-])ccc32)c(=O)[n-]1 ZINC001162300732 938974542 /nfs/dbraw/zinc/97/45/42/938974542.db2.gz LFGNDDXTLWVCEO-NSHDSACASA-N -1 3 298.262 1.348 20 5 CDBDHM Cc1ncc(Nc2ncnc3cccc([N+](=O)[O-])c32)c(=O)[n-]1 ZINC001162305617 938977112 /nfs/dbraw/zinc/97/71/12/938977112.db2.gz KARIVTCTEQYQIY-VIFPVBQESA-N -1 3 298.262 1.348 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1[N-]c1oncc1C(N)=O ZINC001210443678 940691779 /nfs/dbraw/zinc/69/17/79/940691779.db2.gz CABNTMNSQJAOTC-UHFFFAOYSA-N -1 3 278.224 1.434 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@H]2CCCCO2)c2[n-]cnc21 ZINC001227689965 942203130 /nfs/dbraw/zinc/20/31/30/942203130.db2.gz DDKPFXIYPTUVTH-MRVPVSSYSA-N -1 3 278.268 1.814 20 5 CDBDHM O=C1OCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745745 942218262 /nfs/dbraw/zinc/21/82/62/942218262.db2.gz NZRVYWDTKBKOGD-SECBINFHSA-N -1 3 263.209 1.165 20 5 CDBDHM O=C1OCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745745 942218265 /nfs/dbraw/zinc/21/82/65/942218265.db2.gz NZRVYWDTKBKOGD-SECBINFHSA-N -1 3 263.209 1.165 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cnccn2)c1[N+](=O)[O-] ZINC001228689920 942359138 /nfs/dbraw/zinc/35/91/38/942359138.db2.gz WWTBDKTYXRKHHO-QMMMGPOBSA-N -1 3 276.252 1.934 20 5 CDBDHM O=C([N-]n1ccccc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001306819852 956332686 /nfs/dbraw/zinc/33/26/86/956332686.db2.gz IJIGXQJFFRCXET-UHFFFAOYSA-N -1 3 293.666 1.794 20 5 CDBDHM COCc1nc(Sc2ncc([N+](=O)[O-])c(C)n2)n[n-]1 ZINC001306999486 956355483 /nfs/dbraw/zinc/35/54/83/956355483.db2.gz XKNUCZMWPSUFGT-UHFFFAOYSA-N -1 3 282.285 1.109 20 5 CDBDHM CC(COC(=O)[C@]1(C(=O)[O-])CC=CCC1)[N+](=O)[O-] ZINC001603202571 972311501 /nfs/dbraw/zinc/31/15/01/972311501.db2.gz NNAVNFIDGJLUQO-GZMMTYOYSA-N -1 3 257.242 1.006 20 5 CDBDHM CC(C)CN(Cn1nccc1[N+](=O)[O-])CC(C)(C)C(=O)[O-] ZINC001591349424 992334782 /nfs/dbraw/zinc/33/47/82/992334782.db2.gz MFGOUJQXZDTXRA-UHFFFAOYSA-N -1 3 298.343 1.818 20 5 CDBDHM O=C([N-]c1ncc(CCO)s1)c1ccc([N+](=O)[O-])s1 ZINC000588873891 342223529 /nfs/dbraw/zinc/22/35/29/342223529.db2.gz SVWSSLABVHJLKV-UHFFFAOYSA-N -1 3 299.333 1.900 20 5 CDBDHM C[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000594540809 342915515 /nfs/dbraw/zinc/91/55/15/342915515.db2.gz HQOZWEOOLAXNQZ-ZETCQYMHSA-N -1 3 256.233 1.544 20 5 CDBDHM O=C(c1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1)C1CCC1 ZINC000594653063 342934197 /nfs/dbraw/zinc/93/41/97/342934197.db2.gz RHMIOFMSTRTTRH-UHFFFAOYSA-N -1 3 288.263 1.864 20 5 CDBDHM O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])NC1CCCC1 ZINC000596117767 343232126 /nfs/dbraw/zinc/23/21/26/343232126.db2.gz IZJRCMGEGWBNOT-UHFFFAOYSA-N -1 3 280.284 1.166 20 5 CDBDHM CCOC[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596149951 343244761 /nfs/dbraw/zinc/24/47/61/343244761.db2.gz SALQFPPCTFWXBW-SECBINFHSA-N -1 3 267.285 1.558 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000596183779 343250897 /nfs/dbraw/zinc/25/08/97/343250897.db2.gz BHUVYPPCRPCOPN-QMMMGPOBSA-N -1 3 253.258 1.676 20 5 CDBDHM CC(C)[C@]1(CO)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596245705 343286058 /nfs/dbraw/zinc/28/60/58/343286058.db2.gz CKRFEXOTVADDKM-CQSZACIVSA-N -1 3 295.339 1.930 20 5 CDBDHM CN(CCc1nccs1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596173482 343259879 /nfs/dbraw/zinc/25/98/79/343259879.db2.gz VFLXIDLLZIYIHY-UHFFFAOYSA-N -1 3 280.309 1.831 20 5 CDBDHM O=c1[n-]ccc(N2CC(OC(F)F)C2)c1[N+](=O)[O-] ZINC000596202665 343264171 /nfs/dbraw/zinc/26/41/71/343264171.db2.gz WPONZRJVCJBUPQ-UHFFFAOYSA-N -1 3 261.184 1.123 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000566860062 358490842 /nfs/dbraw/zinc/49/08/42/358490842.db2.gz FORYIXVGIIIDOU-BXKDBHETSA-N -1 3 294.307 1.898 20 5 CDBDHM Cc1cc([N-]C(=O)COc2ccc([N+](=O)[O-])cc2)on1 ZINC000014073170 358865745 /nfs/dbraw/zinc/86/57/45/358865745.db2.gz SYRHKCYWXLIDOW-UHFFFAOYSA-N -1 3 277.236 1.909 20 5 CDBDHM Cc1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000159398345 359059237 /nfs/dbraw/zinc/05/92/37/359059237.db2.gz XDYUCFORTLFFEU-UHFFFAOYSA-N -1 3 253.243 1.335 20 5 CDBDHM CNC(=O)[C@]1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339149327 359304486 /nfs/dbraw/zinc/30/44/86/359304486.db2.gz PEUJWOFUBALESL-CQSZACIVSA-N -1 3 293.323 1.258 20 5 CDBDHM NC(=O)[C@@H]([N-]c1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000302137519 201359309 /nfs/dbraw/zinc/35/93/09/201359309.db2.gz BWIRUWQVWDVUSM-JTQLQIEISA-N -1 3 273.252 1.023 20 5 CDBDHM O=[N+]([O-])c1ccc(NC([O-])=NOC[C@H]2CCOC2)c(F)c1 ZINC000276252641 193258684 /nfs/dbraw/zinc/25/86/84/193258684.db2.gz RDXRDROKGZCFOW-QMMMGPOBSA-N -1 3 299.258 1.824 20 5 CDBDHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000276252641 193258686 /nfs/dbraw/zinc/25/86/86/193258686.db2.gz RDXRDROKGZCFOW-QMMMGPOBSA-N -1 3 299.258 1.824 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000447633964 374705309 /nfs/dbraw/zinc/70/53/09/374705309.db2.gz JFUKMYMUQYKWQU-UHFFFAOYSA-N -1 3 262.225 1.584 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])cn1)CC2 ZINC000357820131 285132590 /nfs/dbraw/zinc/13/25/90/285132590.db2.gz AKLWVFKNVFRUJE-UHFFFAOYSA-N -1 3 273.252 1.048 20 5 CDBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000330455452 393142922 /nfs/dbraw/zinc/14/29/22/393142922.db2.gz NVXAIJZHLXUNEX-UWVGGRQHSA-N -1 3 266.297 1.815 20 5 CDBDHM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000285172410 196213686 /nfs/dbraw/zinc/21/36/86/196213686.db2.gz RWYJPUQATSFBHL-UHFFFAOYSA-N -1 3 296.312 1.764 20 5 CDBDHM COCCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591447024 1173651047 /nfs/dbraw/zinc/65/10/47/1173651047.db2.gz DMXUQPBWHLLYOY-UHFFFAOYSA-N -1 3 295.324 1.655 20 5 CDBDHM COCCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591447024 1173651052 /nfs/dbraw/zinc/65/10/52/1173651052.db2.gz DMXUQPBWHLLYOY-UHFFFAOYSA-N -1 3 295.324 1.655 20 5 CDBDHM CN(C)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000579479413 324198802 /nfs/dbraw/zinc/19/88/02/324198802.db2.gz OYZGXSSOMMXJNT-UHFFFAOYSA-N -1 3 267.285 1.195 20 5 CDBDHM COCCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000287216464 482466629 /nfs/dbraw/zinc/46/66/29/482466629.db2.gz RBKCUKWDYUVOSC-UHFFFAOYSA-N -1 3 283.284 1.993 20 5 CDBDHM CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000184748372 521073620 /nfs/dbraw/zinc/07/36/20/521073620.db2.gz GQOHIBOCPDDDKY-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1oc(C(=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001600829512 1174634378 /nfs/dbraw/zinc/63/43/78/1174634378.db2.gz KVYIVNVGDHNYMY-RXMQYKEDSA-N -1 3 257.198 1.108 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCOC1 ZINC000738358560 574515923 /nfs/dbraw/zinc/51/59/23/574515923.db2.gz NDVADWZZPQXMNM-SECBINFHSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCOC1 ZINC000738358560 574515924 /nfs/dbraw/zinc/51/59/24/574515924.db2.gz 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/nfs/dbraw/zinc/07/34/82/1164073482.db2.gz CCXQLMZBYVBUOH-UHFFFAOYSA-N -1 3 299.294 1.689 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCn1cccc1 ZINC001607084381 1164073488 /nfs/dbraw/zinc/07/34/88/1164073488.db2.gz CCXQLMZBYVBUOH-UHFFFAOYSA-N -1 3 299.294 1.689 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001607085458 1164074238 /nfs/dbraw/zinc/07/42/38/1164074238.db2.gz CVTRIMRHMVUHJR-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001607085458 1164074241 /nfs/dbraw/zinc/07/42/41/1164074241.db2.gz CVTRIMRHMVUHJR-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM COc1ccc(C(=O)C[N-]C(=O)C(F)F)cc1[N+](=O)[O-] ZINC000870231098 1165151023 /nfs/dbraw/zinc/15/10/23/1165151023.db2.gz OPBYTGCBLKYOKK-UHFFFAOYSA-N -1 3 288.206 1.167 20 5 CDBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])[C@@H]1C ZINC001590313694 1173349668 /nfs/dbraw/zinc/34/96/68/1173349668.db2.gz OUGQBDDMAUTXGA-HTQZYQBOSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])[C@@H]1C ZINC001590313694 1173349675 /nfs/dbraw/zinc/34/96/75/1173349675.db2.gz OUGQBDDMAUTXGA-HTQZYQBOSA-N -1 3 274.284 1.620 20 5 CDBDHM O=[N+]([O-])c1cnn(CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001593487880 1174083445 /nfs/dbraw/zinc/08/34/45/1174083445.db2.gz URARCBNYZCEQGS-UHFFFAOYSA-N -1 3 285.267 1.214 20 5 CDBDHM O=[N+]([O-])c1cnn(CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593487880 1174083451 /nfs/dbraw/zinc/08/34/51/1174083451.db2.gz URARCBNYZCEQGS-UHFFFAOYSA-N -1 3 285.267 1.214 20 5 CDBDHM O=C([O-])[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC001602187746 1175155881 /nfs/dbraw/zinc/15/58/81/1175155881.db2.gz GSXKBEZKFWXNED-NWDGAFQWSA-N -1 3 298.726 1.717 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CF)c1C ZINC000885410911 783685349 /nfs/dbraw/zinc/68/53/49/783685349.db2.gz ZTLUPVAPCPZZEW-QMMMGPOBSA-N -1 3 290.316 1.848 20 5 CDBDHM C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000309325956 785885688 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CC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104358168 895988511 /nfs/dbraw/zinc/98/85/11/895988511.db2.gz ZDPGMVLLWSMFEN-UHFFFAOYSA-N -1 3 294.311 1.556 20 5 CDBDHM O=C(CC1CC1)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094278799 910441083 /nfs/dbraw/zinc/44/10/83/910441083.db2.gz ZBJFAADIWMRHDO-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM COc1cc([N+](=O)[O-])c([N-]c2nccnc2CN)cc1F ZINC001171447930 910654358 /nfs/dbraw/zinc/65/43/58/910654358.db2.gz PJJOTGZELOJCFP-UHFFFAOYSA-N -1 3 293.258 1.735 20 5 CDBDHM CC(C)C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107045859 917904067 /nfs/dbraw/zinc/90/40/67/917904067.db2.gz OHXFBRNQOLOOJO-ARJAWSKDSA-N -1 3 294.311 1.436 20 5 CDBDHM CC(C)=CC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099915428 936818910 /nfs/dbraw/zinc/81/89/10/936818910.db2.gz VCJPMUVIXTWYIO-UHFFFAOYSA-N -1 3 294.311 1.214 20 5 CDBDHM COc1nccc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199801607 925868186 /nfs/dbraw/zinc/86/81/86/925868186.db2.gz FFOJZALLCOQDJO-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM CCC(=O)NCCCN(CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095819959 934602323 /nfs/dbraw/zinc/60/23/23/934602323.db2.gz SQAAASRVSMXTMI-UHFFFAOYSA-N -1 3 296.327 1.438 20 5 CDBDHM CC(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001046669479 935965606 /nfs/dbraw/zinc/96/56/06/935965606.db2.gz VSHFDWYACWDFAU-KYZUINATSA-N -1 3 280.284 1.022 20 5 CDBDHM Cc1ncc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001162300719 938974878 /nfs/dbraw/zinc/97/48/78/938974878.db2.gz LBXDMCPUKMKMDD-LLVKDONJSA-N -1 3 298.262 1.348 20 5 CDBDHM Cc1cc2[n-]c(OC[C@H]3C[C@@H](O)C3)nc2cc1[N+](=O)[O-] ZINC001218433485 941218241 /nfs/dbraw/zinc/21/82/41/941218241.db2.gz MHPQORKXUHBGKQ-DTORHVGOSA-N -1 3 277.280 1.929 20 5 CDBDHM CCN1CC[C@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225489074 941869194 /nfs/dbraw/zinc/86/91/94/941869194.db2.gz QKFPHHJHLFMUTL-JTQLQIEISA-N -1 3 252.270 1.773 20 5 CDBDHM CN1CCO[C@@H](COc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227744336 942215924 /nfs/dbraw/zinc/21/59/24/942215924.db2.gz GIHDKBWIVCOTLT-SNVBAGLBSA-N -1 3 292.295 1.181 20 5 CDBDHM CN1CCO[C@@H](COc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227744336 942215928 /nfs/dbraw/zinc/21/59/28/942215928.db2.gz GIHDKBWIVCOTLT-SNVBAGLBSA-N -1 3 292.295 1.181 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC001228689694 942358854 /nfs/dbraw/zinc/35/88/54/942358854.db2.gz WOVIGDIQUMHVIW-VIFPVBQESA-N -1 3 266.253 1.894 20 5 CDBDHM C[C@H](NCCOCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589128168 956176547 /nfs/dbraw/zinc/17/65/47/956176547.db2.gz AVCSAGYUPKOSJN-VIFPVBQESA-N -1 3 268.269 1.347 20 5 CDBDHM Cc1nc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC001350473668 966676564 /nfs/dbraw/zinc/67/65/64/966676564.db2.gz GHUVVKIBTWNMRY-YFKPBYRVSA-N -1 3 265.229 1.560 20 5 CDBDHM COCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605111246 1163455305 /nfs/dbraw/zinc/45/53/05/1163455305.db2.gz XMPSPODAPMWZJU-UHFFFAOYSA-N -1 3 278.272 1.142 20 5 CDBDHM COCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605111246 1163455308 /nfs/dbraw/zinc/45/53/08/1163455308.db2.gz XMPSPODAPMWZJU-UHFFFAOYSA-N -1 3 278.272 1.142 20 5 CDBDHM O=[N+]([O-])c1cc(F)cnc1NCc1ncccc1[O-] ZINC001158771294 1163568446 /nfs/dbraw/zinc/56/84/46/1163568446.db2.gz XOIKHEQPBICZLF-UHFFFAOYSA-N -1 3 264.216 1.842 20 5 CDBDHM COc1nc(NCc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC001158771330 1163570762 /nfs/dbraw/zinc/57/07/62/1163570762.db2.gz ZGQGQNQYPWZUTN-UHFFFAOYSA-N -1 3 277.240 1.106 20 5 CDBDHM Cc1ccc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC000601195452 342488849 /nfs/dbraw/zinc/48/88/49/342488849.db2.gz OJWXEAXNIYPANW-JTQLQIEISA-N -1 3 276.296 1.827 20 5 CDBDHM CC(C)OCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596055772 343222186 /nfs/dbraw/zinc/22/21/86/343222186.db2.gz MQXCJYPDABJKQA-UHFFFAOYSA-N -1 3 255.274 1.922 20 5 CDBDHM COC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596066838 343224556 /nfs/dbraw/zinc/22/45/56/343224556.db2.gz VDHXMOTYRPTJOM-UHFFFAOYSA-N -1 3 253.258 1.311 20 5 CDBDHM C[C@@H](Cn1ccnc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596079541 343227128 /nfs/dbraw/zinc/22/71/28/343227128.db2.gz RVXZKIDNEWTJGZ-QMMMGPOBSA-N -1 3 263.257 1.393 20 5 CDBDHM CCN(Cc1cnn(C)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596099138 343236071 /nfs/dbraw/zinc/23/60/71/343236071.db2.gz SACATRVELDVPPL-UHFFFAOYSA-N -1 3 277.284 1.455 20 5 CDBDHM CSC[C@@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596133905 343239337 /nfs/dbraw/zinc/23/93/37/343239337.db2.gz AWXBLJGZCAAGLN-JTQLQIEISA-N -1 3 273.314 1.221 20 5 CDBDHM CC(C)(C)N1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596150439 343245237 /nfs/dbraw/zinc/24/52/37/343245237.db2.gz AMJWBXXXQZEROQ-MRVPVSSYSA-N -1 3 294.311 1.507 20 5 CDBDHM C[C@H]1C[C@@H](CO)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596278968 343296849 /nfs/dbraw/zinc/29/68/49/343296849.db2.gz MTLYFEMEIVDTNH-DTWKUNHWSA-N -1 3 267.285 1.150 20 5 CDBDHM C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCN1C ZINC000436831600 362249276 /nfs/dbraw/zinc/24/92/76/362249276.db2.gz XRDLHLSLOQVKSK-ONGXEEELSA-N -1 3 293.323 1.513 20 5 CDBDHM CN(C)c1n[nH]c([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000340991726 282312088 /nfs/dbraw/zinc/31/20/88/282312088.db2.gz JQTOIBOWOWKNNE-UHFFFAOYSA-N -1 3 294.246 1.170 20 5 CDBDHM CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000137000516 362950986 /nfs/dbraw/zinc/95/09/86/362950986.db2.gz IRFHNGWALPUWNA-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM O=C([N-]c1nc2c(s1)COCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000558745349 356044085 /nfs/dbraw/zinc/04/40/85/356044085.db2.gz DBHPQMZIDKSKLC-UHFFFAOYSA-N -1 3 295.280 1.099 20 5 CDBDHM CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032400636 359564863 /nfs/dbraw/zinc/56/48/63/359564863.db2.gz HNYDMRDASATERP-QMMMGPOBSA-N -1 3 288.325 1.680 20 5 CDBDHM C[C@H](CC(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000571346103 359568135 /nfs/dbraw/zinc/56/81/35/359568135.db2.gz YFWYLOHDAWFPDR-SECBINFHSA-N -1 3 252.270 1.890 20 5 CDBDHM O=C([O-])Cc1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000572528109 361093989 /nfs/dbraw/zinc/09/39/89/361093989.db2.gz WZLHCWSQEFBBGF-UHFFFAOYSA-N -1 3 293.323 1.730 20 5 CDBDHM C[C@@H](CC(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000580726479 363935654 /nfs/dbraw/zinc/93/56/54/363935654.db2.gz UUAIWLSCVYFJOY-VIFPVBQESA-N -1 3 252.270 1.890 20 5 CDBDHM O=C([N-]O[C@@H]1CCCCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000170627675 364440066 /nfs/dbraw/zinc/44/00/66/364440066.db2.gz GQBIMCROOPGDFQ-LLVKDONJSA-N -1 3 284.243 1.922 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000124248253 374763169 /nfs/dbraw/zinc/76/31/69/374763169.db2.gz UVKABCHYLTVZNW-LURJTMIESA-N -1 3 294.354 1.014 20 5 CDBDHM CN1CCC[C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162402098 375130111 /nfs/dbraw/zinc/13/01/11/375130111.db2.gz XSIWESVCZLNLCI-VIFPVBQESA-N -1 3 294.311 1.442 20 5 CDBDHM CN(C)[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164496211 375901831 /nfs/dbraw/zinc/90/18/31/375901831.db2.gz HZOYEXBHBGUMOQ-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000442715852 249950511 /nfs/dbraw/zinc/95/05/11/249950511.db2.gz AZOYBNAFOKIDSN-SECBINFHSA-N -1 3 288.325 1.216 20 5 CDBDHM COc1c(F)cc(F)cc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343870833 152333477 /nfs/dbraw/zinc/33/34/77/152333477.db2.gz DDYREIDGGNPYLL-UHFFFAOYSA-N -1 3 298.205 1.857 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1CNCc1cnc(C)[n-]c1=O ZINC000350357740 154368438 /nfs/dbraw/zinc/36/84/38/154368438.db2.gz PTZIYZPPJBIZEQ-UHFFFAOYSA-N -1 3 288.307 1.997 20 5 CDBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358859813 158055501 /nfs/dbraw/zinc/05/55/01/158055501.db2.gz CWMBXMKYOVUWMC-UHFFFAOYSA-N -1 3 288.300 1.812 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2nnc(C(F)(F)F)[n-]2)nc1 ZINC000359712236 158347102 /nfs/dbraw/zinc/34/71/02/158347102.db2.gz KXLWXWWODWNMJI-UHFFFAOYSA-N -1 3 288.189 1.739 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2n[n-]c(C(F)(F)F)n2)nc1 ZINC000359712236 158347105 /nfs/dbraw/zinc/34/71/05/158347105.db2.gz KXLWXWWODWNMJI-UHFFFAOYSA-N -1 3 288.189 1.739 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)nc1 ZINC000359712236 158347108 /nfs/dbraw/zinc/34/71/08/158347108.db2.gz KXLWXWWODWNMJI-UHFFFAOYSA-N -1 3 288.189 1.739 20 5 CDBDHM Cc1ocnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000090446523 279278233 /nfs/dbraw/zinc/27/82/33/279278233.db2.gz KVRBAMDLGUBXDG-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncccc1[O-] ZINC000194125181 280024537 /nfs/dbraw/zinc/02/45/37/280024537.db2.gz AUKABRAKOOTGDZ-UHFFFAOYSA-N -1 3 273.248 1.877 20 5 CDBDHM COCCN(CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000737795014 574725397 /nfs/dbraw/zinc/72/53/97/574725397.db2.gz VTAVFGXRJRGYPR-UHFFFAOYSA-N -1 3 282.296 1.518 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCC1CC1 ZINC000823629748 599078507 /nfs/dbraw/zinc/07/85/07/599078507.db2.gz GIHFQVNZLKKFJX-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCC1CC1 ZINC000823629748 599078510 /nfs/dbraw/zinc/07/85/10/599078510.db2.gz GIHFQVNZLKKFJX-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000111255055 601511138 /nfs/dbraw/zinc/51/11/38/601511138.db2.gz OCQCMAVOJXHQCR-CABZTGNLSA-N -1 3 294.307 1.756 20 5 CDBDHM O=[N+]([O-])c1cc(NCC2(O)CCC2)ccc1-c1nnn[n-]1 ZINC000823635343 606645970 /nfs/dbraw/zinc/64/59/70/606645970.db2.gz WEGAKUXKLNWGFP-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM CC1=CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609152000 1164799338 /nfs/dbraw/zinc/79/93/38/1164799338.db2.gz WIZLCLLJTBMRJH-UHFFFAOYSA-N -1 3 287.283 1.326 20 5 CDBDHM CC1=CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609152000 1164799344 /nfs/dbraw/zinc/79/93/44/1164799344.db2.gz WIZLCLLJTBMRJH-UHFFFAOYSA-N -1 3 287.283 1.326 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cccnc1 ZINC001582804478 1172691696 /nfs/dbraw/zinc/69/16/96/1172691696.db2.gz UKJCCJOPUSHTRE-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cccnc1 ZINC001582804478 1172691701 /nfs/dbraw/zinc/69/17/01/1172691701.db2.gz UKJCCJOPUSHTRE-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM CO[C@@H](C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591467488 1173656535 /nfs/dbraw/zinc/65/65/35/1173656535.db2.gz LLWRNMOWYKFTLX-ZETCQYMHSA-N -1 3 278.272 1.222 20 5 CDBDHM CO[C@@H](C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591467488 1173656537 /nfs/dbraw/zinc/65/65/37/1173656537.db2.gz LLWRNMOWYKFTLX-ZETCQYMHSA-N -1 3 278.272 1.222 20 5 CDBDHM O=c1[n-]ccc(N2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000853716789 790927320 /nfs/dbraw/zinc/92/73/20/790927320.db2.gz QLFPPYYYFSGAJP-OLQVQODUSA-N -1 3 257.196 1.397 20 5 CDBDHM O=C1N=CNC(=O)C1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819277 925855787 /nfs/dbraw/zinc/85/57/87/925855787.db2.gz NRLSDHPVOKAWQK-UHFFFAOYSA-N -1 3 264.197 1.245 20 5 CDBDHM COC(=O)c1nccnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801295 925868482 /nfs/dbraw/zinc/86/84/82/925868482.db2.gz CQMDWORYJVRDFY-UHFFFAOYSA-N -1 3 290.235 1.621 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000695455466 937265616 /nfs/dbraw/zinc/26/56/16/937265616.db2.gz JNFKODGMNCPZSG-VIFPVBQESA-N -1 3 267.285 1.294 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC001156279513 938346330 /nfs/dbraw/zinc/34/63/30/938346330.db2.gz UGIBOYRQUZIPJZ-ZETCQYMHSA-N -1 3 281.247 1.053 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001164376236 939468058 /nfs/dbraw/zinc/46/80/58/939468058.db2.gz ZUPWYTNSLWERQA-SSDOTTSWSA-N -1 3 298.249 1.797 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCOC[C@H]1F ZINC001225664135 941896029 /nfs/dbraw/zinc/89/60/29/941896029.db2.gz KDXFTIHZNJASLM-HTRCEHHLSA-N -1 3 258.205 1.201 20 5 CDBDHM CCO[C@@H](C)COc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690496 942205010 /nfs/dbraw/zinc/20/50/10/942205010.db2.gz HMOTYHTYWSALRG-ZETCQYMHSA-N -1 3 266.257 1.670 20 5 CDBDHM Cc1cc2[n-]c(OC3CCN(N)CC3)nc2cc1[N+](=O)[O-] ZINC001228676273 942355001 /nfs/dbraw/zinc/35/50/01/942355001.db2.gz YFFWKTPXQWNDDZ-UHFFFAOYSA-N -1 3 291.311 1.496 20 5 CDBDHM CCN1CC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231071875 942775553 /nfs/dbraw/zinc/77/55/53/942775553.db2.gz NXWQBUFTAVEXJS-ZCFIWIBFSA-N -1 3 288.691 1.217 20 5 CDBDHM O=[N+]([O-])c1cc2[n-]c(OC[C@@H]3COCO3)nc2cc1Cl ZINC001233499137 943601734 /nfs/dbraw/zinc/60/17/34/943601734.db2.gz MZMCIGPDCCEUSF-LURJTMIESA-N -1 3 299.670 1.876 20 5 CDBDHM O=[N+]([O-])c1cc2nc(OC[C@@H]3COCO3)[n-]c2cc1Cl ZINC001233499137 943601738 /nfs/dbraw/zinc/60/17/38/943601738.db2.gz MZMCIGPDCCEUSF-LURJTMIESA-N -1 3 299.670 1.876 20 5 CDBDHM Cc1n[nH]c(=O)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC001261653323 946215312 /nfs/dbraw/zinc/21/53/12/946215312.db2.gz HQMGWLPGCPLHKR-UHFFFAOYSA-N -1 3 291.267 1.420 20 5 CDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(=O)[O-])CC1 ZINC000086731313 957979246 /nfs/dbraw/zinc/97/92/46/957979246.db2.gz YSFYMMPUQBNRFU-LLVKDONJSA-N -1 3 293.323 1.358 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(C)c1CNCCOCC(=O)[O-] ZINC001594381328 958626174 /nfs/dbraw/zinc/62/61/74/958626174.db2.gz QYUUNAYLTAPBLA-UHFFFAOYSA-N -1 3 282.296 1.402 20 5 CDBDHM CC[C@@H](C(=O)[O-])N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001603500327 973466158 /nfs/dbraw/zinc/46/61/58/973466158.db2.gz FLGZSOPIMRBOLX-NSHDSACASA-N -1 3 292.295 1.766 20 5 CDBDHM CC(COC(=O)c1cccc(C(=O)[O-])c1)[N+](=O)[O-] ZINC001592771928 979388970 /nfs/dbraw/zinc/38/89/70/979388970.db2.gz KKCQCTAAJZGONK-SSDOTTSWSA-N -1 3 253.210 1.207 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CC12CC2 ZINC001593471180 1174082338 /nfs/dbraw/zinc/08/23/38/1174082338.db2.gz OYRRDHDFTOZHTL-QMMMGPOBSA-N -1 3 273.256 1.134 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CC12CC2 ZINC001593471180 1174082342 /nfs/dbraw/zinc/08/23/42/1174082342.db2.gz OYRRDHDFTOZHTL-QMMMGPOBSA-N -1 3 273.256 1.134 20 5 CDBDHM CO[C@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596242190 343284998 /nfs/dbraw/zinc/28/49/98/343284998.db2.gz QHFHRLKMEJWTOL-GFCCVEGCSA-N -1 3 267.285 1.922 20 5 CDBDHM C[C@@H]1OCC[C@@]12CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CCO2 ZINC000596221308 343270459 /nfs/dbraw/zinc/27/04/59/343270459.db2.gz FAGWSLNDDUYPTE-TVQRCGJNSA-N -1 3 295.295 1.080 20 5 CDBDHM COc1ccc(CN(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000037932893 362948649 /nfs/dbraw/zinc/94/86/49/362948649.db2.gz MYILAFRXOPZJGE-UHFFFAOYSA-N -1 3 268.269 1.510 20 5 CDBDHM O=C([O-])CCCCNCc1ccccc1[N+](=O)[O-] ZINC000236417751 363159589 /nfs/dbraw/zinc/15/95/89/363159589.db2.gz YZYQAUWECNXYLI-UHFFFAOYSA-N -1 3 252.270 1.939 20 5 CDBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccncc1[O-] ZINC000109891074 358475834 /nfs/dbraw/zinc/47/58/34/358475834.db2.gz BBSMNYPSKPKGMJ-UHFFFAOYSA-N -1 3 273.248 1.877 20 5 CDBDHM C[C@@H]1CCN[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000235324350 140234821 /nfs/dbraw/zinc/23/48/21/140234821.db2.gz CJGBQOJKDQKKRA-KCJUWKMLSA-N -1 3 279.296 1.627 20 5 CDBDHM COCCO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000311253737 357333415 /nfs/dbraw/zinc/33/34/15/357333415.db2.gz JKPCRJOHWLBTEB-SREVYHEPSA-N -1 3 266.253 1.302 20 5 CDBDHM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])N(C)C1CC1 ZINC000181971392 357394751 /nfs/dbraw/zinc/39/47/51/357394751.db2.gz YKYDIQYLIAGNLP-SECBINFHSA-N -1 3 293.323 1.513 20 5 CDBDHM COc1cc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000566366534 357491976 /nfs/dbraw/zinc/49/19/76/357491976.db2.gz DYHCXVKMWMFHDV-ONGXEEELSA-N -1 3 294.307 1.898 20 5 CDBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000185875580 357587887 /nfs/dbraw/zinc/58/78/87/357587887.db2.gz JHAQMPKKYQIIDQ-UHFFFAOYSA-N -1 3 266.225 1.138 20 5 CDBDHM O=c1[n-]ccc(N2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000584622029 358705381 /nfs/dbraw/zinc/70/53/81/358705381.db2.gz LGCZKWKKAMJLFU-UHFFFAOYSA-N -1 3 259.212 1.931 20 5 CDBDHM O=C(CNC[C@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000423721244 246002196 /nfs/dbraw/zinc/00/21/96/246002196.db2.gz FHTUFLAAAAZNJT-SNVBAGLBSA-N -1 3 295.295 1.008 20 5 CDBDHM CC(C)(N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423741531 246019697 /nfs/dbraw/zinc/01/96/97/246019697.db2.gz KHXADZYKISJBSP-UHFFFAOYSA-N -1 3 273.676 1.630 20 5 CDBDHM CCNCCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420161432 374290539 /nfs/dbraw/zinc/29/05/39/374290539.db2.gz GHVMEOJFLNPREN-UHFFFAOYSA-N -1 3 277.284 1.088 20 5 CDBDHM Cn1cnc2cc([N-]c3ncc([N+](=O)[O-])c(N)n3)ccc21 ZINC000439695801 391110267 /nfs/dbraw/zinc/11/02/67/391110267.db2.gz LSKHDASTIZWXHI-UHFFFAOYSA-N -1 3 285.267 1.428 20 5 CDBDHM CN(C)C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000416308952 391984922 /nfs/dbraw/zinc/98/49/22/391984922.db2.gz SPPIJLQWTVGRLP-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM O=C([O-])CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262264871 149042070 /nfs/dbraw/zinc/04/20/70/149042070.db2.gz RVLUVMLVJGFZHE-SNVBAGLBSA-N -1 3 294.311 1.341 20 5 CDBDHM CN(C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130476504 289372865 /nfs/dbraw/zinc/37/28/65/289372865.db2.gz DGLDKABXZPAZAL-JTQLQIEISA-N -1 3 293.323 1.467 20 5 CDBDHM CC(C)[C@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735734169 575502927 /nfs/dbraw/zinc/50/29/27/575502927.db2.gz KYNVHUONHFXCOY-LLVKDONJSA-N -1 3 292.299 1.204 20 5 CDBDHM CC(C)[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735734169 575502929 /nfs/dbraw/zinc/50/29/29/575502929.db2.gz KYNVHUONHFXCOY-LLVKDONJSA-N -1 3 292.299 1.204 20 5 CDBDHM COC[C@H](C)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768818290 576310572 /nfs/dbraw/zinc/31/05/72/576310572.db2.gz YJAOAQLNZLQDAV-SSDOTTSWSA-N -1 3 294.354 1.217 20 5 CDBDHM COc1ccc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000111255047 601540217 /nfs/dbraw/zinc/54/02/17/601540217.db2.gz WIXTXSYJOZJHMG-KOLCDFICSA-N -1 3 294.307 1.756 20 5 CDBDHM O=C([O-])CN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC001606243480 1163826216 /nfs/dbraw/zinc/82/62/16/1163826216.db2.gz BXDQYOLDGPNGSV-UHFFFAOYSA-N -1 3 286.313 1.012 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC/C=C\Cl ZINC001607084629 1164073135 /nfs/dbraw/zinc/07/31/35/1164073135.db2.gz QCULDELUFYQDRR-DJWKRKHSSA-N -1 3 280.675 1.939 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC/C=C\Cl ZINC001607084629 1164073137 /nfs/dbraw/zinc/07/31/37/1164073137.db2.gz QCULDELUFYQDRR-DJWKRKHSSA-N -1 3 280.675 1.939 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCCCCO2)c(-c2nnn[n-]2)c1 ZINC001607086863 1164074198 /nfs/dbraw/zinc/07/41/98/1164074198.db2.gz TZOMGVKIXPQTJO-UHFFFAOYSA-N -1 3 291.271 1.092 20 5 CDBDHM CC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590100479 1173257631 /nfs/dbraw/zinc/25/76/31/1173257631.db2.gz VXDCSACDSHENOC-UHFFFAOYSA-N -1 3 289.299 1.406 20 5 CDBDHM CC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590100479 1173257634 /nfs/dbraw/zinc/25/76/34/1173257634.db2.gz VXDCSACDSHENOC-UHFFFAOYSA-N -1 3 289.299 1.406 20 5 CDBDHM CC1CC(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590206996 1173292642 /nfs/dbraw/zinc/29/26/42/1173292642.db2.gz MXJCFZMXPXFSMS-UHFFFAOYSA-N -1 3 274.284 1.985 20 5 CDBDHM CC1CC(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590206996 1173292652 /nfs/dbraw/zinc/29/26/52/1173292652.db2.gz MXJCFZMXPXFSMS-UHFFFAOYSA-N -1 3 274.284 1.985 20 5 CDBDHM CCOCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590815273 1173520640 /nfs/dbraw/zinc/52/06/40/1173520640.db2.gz PJQBSIHIXMVOCE-UHFFFAOYSA-N -1 3 296.262 1.362 20 5 CDBDHM CCOCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590815273 1173520644 /nfs/dbraw/zinc/52/06/44/1173520644.db2.gz PJQBSIHIXMVOCE-UHFFFAOYSA-N -1 3 296.262 1.362 20 5 CDBDHM COC[C@H](C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591373595 1173633861 /nfs/dbraw/zinc/63/38/61/1173633861.db2.gz LRIPMJAJFFEASQ-MRVPVSSYSA-N -1 3 292.299 1.469 20 5 CDBDHM Cc1nn(CCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001592437289 1173886929 /nfs/dbraw/zinc/88/69/29/1173886929.db2.gz QYCWHSGFHFVWIF-UHFFFAOYSA-N -1 3 299.294 1.523 20 5 CDBDHM Cc1nn(CCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001592437289 1173886936 /nfs/dbraw/zinc/88/69/36/1173886936.db2.gz QYCWHSGFHFVWIF-UHFFFAOYSA-N -1 3 299.294 1.523 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001593483669 1174084319 /nfs/dbraw/zinc/08/43/19/1174084319.db2.gz BHSPVMROLZBCPX-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001593483669 1174084323 /nfs/dbraw/zinc/08/43/23/1174084323.db2.gz BHSPVMROLZBCPX-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H](C)O ZINC001604064397 1175744612 /nfs/dbraw/zinc/74/46/12/1175744612.db2.gz RVXRLAJRDKVZPF-OIBJUYFYSA-N -1 3 292.299 1.346 20 5 CDBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cnn[n-]1 ZINC000805604711 796889184 /nfs/dbraw/zinc/88/91/84/796889184.db2.gz DSFUOSZOGGBKLY-UHFFFAOYSA-N -1 3 282.643 1.723 20 5 CDBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1c[n-]nn1 ZINC000805604711 796889186 /nfs/dbraw/zinc/88/91/86/796889186.db2.gz DSFUOSZOGGBKLY-UHFFFAOYSA-N -1 3 282.643 1.723 20 5 CDBDHM CCCCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094309371 910468080 /nfs/dbraw/zinc/46/80/80/910468080.db2.gz UUIJCVPZXRRQIF-UHFFFAOYSA-N -1 3 296.327 1.804 20 5 CDBDHM COC(=O)[C@@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001117740813 922053424 /nfs/dbraw/zinc/05/34/24/922053424.db2.gz FCHHHOKVEYUSML-VXGBXAGGSA-N -1 3 294.307 1.732 20 5 CDBDHM NCc1nc(=O)[n-]n1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001168762696 923797232 /nfs/dbraw/zinc/79/72/32/923797232.db2.gz MJONZFVCYUPPLW-UHFFFAOYSA-N -1 3 285.263 1.493 20 5 CDBDHM C[C@@H](O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824698499 931477868 /nfs/dbraw/zinc/47/78/68/931477868.db2.gz LPFBKGAJBWIVRI-JGVFFNPUSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824698499 931477870 /nfs/dbraw/zinc/47/78/70/931477870.db2.gz LPFBKGAJBWIVRI-JGVFFNPUSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001164373959 939467677 /nfs/dbraw/zinc/46/76/77/939467677.db2.gz FWIKTGJJAYPSFZ-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001164376237 939468355 /nfs/dbraw/zinc/46/83/55/939468355.db2.gz ZUPWYTNSLWERQA-ZETCQYMHSA-N -1 3 298.249 1.797 20 5 CDBDHM COC(=O)[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226336644 941989662 /nfs/dbraw/zinc/98/96/62/941989662.db2.gz QXTMURZHVAIWPP-MRVPVSSYSA-N -1 3 295.169 1.783 20 5 CDBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cncnc1 ZINC001227691832 942204874 /nfs/dbraw/zinc/20/48/74/942204874.db2.gz QPJOZRIELJCWQO-ZETCQYMHSA-N -1 3 286.251 1.796 20 5 CDBDHM C[C@H]1C[C@@H]1c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001256710074 948403853 /nfs/dbraw/zinc/40/38/53/948403853.db2.gz QNKRRBGJWYMUHH-FSPLSTOPSA-N -1 3 262.225 1.869 20 5 CDBDHM CC(COC(=O)[C@@]1(C(=O)[O-])CC=CCC1)[N+](=O)[O-] ZINC001603202574 972311165 /nfs/dbraw/zinc/31/11/65/972311165.db2.gz NNAVNFIDGJLUQO-KWQFWETISA-N -1 3 257.242 1.006 20 5 CDBDHM CC1(C)COC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593958669 997065638 /nfs/dbraw/zinc/06/56/38/997065638.db2.gz DOLWCFXEZFAARI-LBPRGKRZSA-N -1 3 294.307 1.808 20 5 CDBDHM CN(C[C@@H]1CCCN1C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162454524 342073250 /nfs/dbraw/zinc/07/32/50/342073250.db2.gz DAYQNZYMBPVCIC-JTQLQIEISA-N -1 3 294.311 1.218 20 5 CDBDHM CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC=CC1 ZINC000594474153 342905561 /nfs/dbraw/zinc/90/55/61/342905561.db2.gz ORASNJDYAQEWKH-UHFFFAOYSA-N -1 3 282.321 1.982 20 5 CDBDHM O=c1[n-]ccc(N2CCOCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596192156 343253204 /nfs/dbraw/zinc/25/32/04/343253204.db2.gz LXUMJNILZVETKR-UHFFFAOYSA-N -1 3 279.296 1.702 20 5 CDBDHM COC(=O)[C@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596161608 343255935 /nfs/dbraw/zinc/25/59/35/343255935.db2.gz XECOMKIPZLYZIF-GFCCVEGCSA-N -1 3 281.268 1.085 20 5 CDBDHM C[C@H](CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596255778 343276039 /nfs/dbraw/zinc/27/60/39/343276039.db2.gz ULVOBPMZMCBPEG-QMMMGPOBSA-N -1 3 255.274 1.516 20 5 CDBDHM COc1cc(CN[C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1[O-] ZINC000599015782 343944573 /nfs/dbraw/zinc/94/45/73/343944573.db2.gz PCJOIMZZKHXVMY-MGCOHNPYSA-N -1 3 282.296 1.576 20 5 CDBDHM CC(C)(CCC(=O)Nc1nnc(C(F)(F)F)[n-]1)[N+](=O)[O-] ZINC000294667949 199127220 /nfs/dbraw/zinc/12/72/20/199127220.db2.gz WVNFRHUGBGPWGK-UHFFFAOYSA-N -1 3 295.221 1.598 20 5 CDBDHM CC(C)(CCC(=O)Nc1nc(C(F)(F)F)n[n-]1)[N+](=O)[O-] ZINC000294667949 199127221 /nfs/dbraw/zinc/12/72/21/199127221.db2.gz WVNFRHUGBGPWGK-UHFFFAOYSA-N -1 3 295.221 1.598 20 5 CDBDHM CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272392822 367721323 /nfs/dbraw/zinc/72/13/23/367721323.db2.gz LOWSQJHSBRKBJA-SNVBAGLBSA-N -1 3 279.296 1.124 20 5 CDBDHM CCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117749882 374588922 /nfs/dbraw/zinc/58/89/22/374588922.db2.gz UVOXUFBMJWRBMY-UHFFFAOYSA-N -1 3 258.661 1.858 20 5 CDBDHM CN(C[C@@H]1CCCN1C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331234629 374910739 /nfs/dbraw/zinc/91/07/39/374910739.db2.gz DLGKTSDAUUOSSZ-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OCCSC)c1 ZINC000280112290 374981802 /nfs/dbraw/zinc/98/18/02/374981802.db2.gz VFCUJGJPXNOYGF-UHFFFAOYSA-N -1 3 286.309 1.628 20 5 CDBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OCCCO ZINC000493568337 375464521 /nfs/dbraw/zinc/46/45/21/375464521.db2.gz OFODVSZKMLIAMI-VOTSOKGWSA-N -1 3 266.253 1.038 20 5 CDBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1O ZINC000357689902 375928076 /nfs/dbraw/zinc/92/80/76/375928076.db2.gz FHDHLSJRXLIFJM-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM O=c1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)occ1[O-] ZINC000436204512 248231383 /nfs/dbraw/zinc/23/13/83/248231383.db2.gz BRIZZXNUEMACBY-UHFFFAOYSA-N -1 3 277.236 1.376 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC1CC1 ZINC000173763812 379135180 /nfs/dbraw/zinc/13/51/80/379135180.db2.gz GAFBXZDTLWPALO-UHFFFAOYSA-N -1 3 270.310 1.673 20 5 CDBDHM CCO[N-]C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281219302 195154689 /nfs/dbraw/zinc/15/46/89/195154689.db2.gz MDHVSYFGAVTZPY-UHFFFAOYSA-N -1 3 268.269 1.740 20 5 CDBDHM COC(=O)[C@@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000590657176 391916014 /nfs/dbraw/zinc/91/60/14/391916014.db2.gz FCHHHOKVEYUSML-NEPJUHHUSA-N -1 3 294.307 1.732 20 5 CDBDHM COc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186743134 140067383 /nfs/dbraw/zinc/06/73/83/140067383.db2.gz COPMKSABCATNIF-UHFFFAOYSA-N -1 3 289.247 1.956 20 5 CDBDHM O=C([N-]c1nc[nH]n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181220151 148184541 /nfs/dbraw/zinc/18/45/41/148184541.db2.gz PAFQKOXLIKBPQO-UHFFFAOYSA-N -1 3 299.193 1.567 20 5 CDBDHM CCOC(=O)c1ccnc([N-]c2c[nH]nc2C)c1[N+](=O)[O-] ZINC000077937994 177311836 /nfs/dbraw/zinc/31/18/36/177311836.db2.gz ODYUZBMRTWNBMA-UHFFFAOYSA-N -1 3 291.267 1.942 20 5 CDBDHM CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000281837128 289097534 /nfs/dbraw/zinc/09/75/34/289097534.db2.gz WTWXOLAPXUTZEF-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N=c1cc2ccccn2[n-]1 ZINC000553001707 290089555 /nfs/dbraw/zinc/08/95/55/290089555.db2.gz MOSLYINXAWOFBF-UHFFFAOYSA-N -1 3 296.286 1.846 20 5 CDBDHM CCNc1cc(NCC)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590746128 1173504893 /nfs/dbraw/zinc/50/48/93/1173504893.db2.gz JURZXBXWLQWQSV-UHFFFAOYSA-N -1 3 277.288 1.639 20 5 CDBDHM CCNc1cc(NCC)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590746128 1173504900 /nfs/dbraw/zinc/50/49/00/1173504900.db2.gz JURZXBXWLQWQSV-UHFFFAOYSA-N -1 3 277.288 1.639 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)CF ZINC000351735902 302046796 /nfs/dbraw/zinc/04/67/96/302046796.db2.gz DEXBRUYVTHYWGV-UHFFFAOYSA-N -1 3 290.316 1.930 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC1 ZINC000416507199 302047246 /nfs/dbraw/zinc/04/72/46/302047246.db2.gz MMHSADRXLWXDIL-UHFFFAOYSA-N -1 3 270.310 1.734 20 5 CDBDHM CN(C)C1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000397899268 323867760 /nfs/dbraw/zinc/86/77/60/323867760.db2.gz SKOKWHZNDXMRFH-UHFFFAOYSA-N -1 3 280.284 1.194 20 5 CDBDHM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000581745253 324829371 /nfs/dbraw/zinc/82/93/71/324829371.db2.gz NIDFJPCSZJSGMI-UHFFFAOYSA-N -1 3 295.276 1.496 20 5 CDBDHM COc1cc(CNc2ncnn2C)c([N+](=O)[O-])cc1[O-] ZINC000184285758 522498726 /nfs/dbraw/zinc/49/87/26/522498726.db2.gz JRLUKBUDPCUHNT-UHFFFAOYSA-N -1 3 279.256 1.050 20 5 CDBDHM C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000050444674 525523894 /nfs/dbraw/zinc/52/38/94/525523894.db2.gz URUDGQIFRUICBI-ZCFIWIBFSA-N -1 3 258.661 1.811 20 5 CDBDHM CC(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735735744 575502876 /nfs/dbraw/zinc/50/28/76/575502876.db2.gz UZQWIVYSKXDCBY-LLVKDONJSA-N -1 3 292.299 1.204 20 5 CDBDHM CC(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735735744 575502877 /nfs/dbraw/zinc/50/28/77/575502877.db2.gz UZQWIVYSKXDCBY-LLVKDONJSA-N -1 3 292.299 1.204 20 5 CDBDHM Cc1cc(=O)[n-]c(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)n1 ZINC000767217458 576168864 /nfs/dbraw/zinc/16/88/64/576168864.db2.gz XIYBXLPIGAHIRV-UHFFFAOYSA-N -1 3 296.670 1.262 20 5 CDBDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768836338 576312174 /nfs/dbraw/zinc/31/21/74/576312174.db2.gz WKIGYOGNFCZFSX-ZETCQYMHSA-N -1 3 290.366 1.981 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCSC2)c(-c2nnn[n-]2)c1 ZINC000823651767 599078688 /nfs/dbraw/zinc/07/86/88/599078688.db2.gz PHEWIZJHOYURBV-ZCFIWIBFSA-N -1 3 293.312 1.087 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCSC2)c(-c2nn[n-]n2)c1 ZINC000823651767 599078689 /nfs/dbraw/zinc/07/86/89/599078689.db2.gz PHEWIZJHOYURBV-ZCFIWIBFSA-N -1 3 293.312 1.087 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820467656 599099961 /nfs/dbraw/zinc/09/99/61/599099961.db2.gz KZRUSURHOUFXJI-RNFRBKRXSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820467656 599099964 /nfs/dbraw/zinc/09/99/64/599099964.db2.gz KZRUSURHOUFXJI-RNFRBKRXSA-N -1 3 295.324 1.636 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1C=CCCC1 ZINC001607079973 1164071741 /nfs/dbraw/zinc/07/17/41/1164071741.db2.gz FEVBUSQBNCJONC-VIFPVBQESA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1C=CCCC1 ZINC001607079973 1164071749 /nfs/dbraw/zinc/07/17/49/1164071749.db2.gz FEVBUSQBNCJONC-VIFPVBQESA-N -1 3 287.283 1.691 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001607190916 1164128700 /nfs/dbraw/zinc/12/87/00/1164128700.db2.gz BSVIOQNOCAJDOW-BXKDBHETSA-N -1 3 294.307 1.756 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Oc1cccnc1 ZINC001593482946 1174083627 /nfs/dbraw/zinc/08/36/27/1174083627.db2.gz IUKGOKDWFOPKJO-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Oc1cccnc1 ZINC001593482946 1174083631 /nfs/dbraw/zinc/08/36/31/1174083631.db2.gz IUKGOKDWFOPKJO-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM COC(=O)N1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853253213 813378756 /nfs/dbraw/zinc/37/87/56/813378756.db2.gz ZIIADNAGNZAFSU-MRVPVSSYSA-N -1 3 296.283 1.338 20 5 CDBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCCC1=O ZINC000935289422 814359244 /nfs/dbraw/zinc/35/92/44/814359244.db2.gz FLUPAOIYZJOBNZ-UHFFFAOYSA-N -1 3 295.320 1.584 20 5 CDBDHM Cc1ccc([C@@H](O)CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000853372052 814473072 /nfs/dbraw/zinc/47/30/72/814473072.db2.gz HVQXYIQQUFLJNW-VIFPVBQESA-N -1 3 279.252 1.742 20 5 CDBDHM CSCCO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000867926869 817854030 /nfs/dbraw/zinc/85/40/30/817854030.db2.gz XYEVSSSJSCCRDE-UHFFFAOYSA-N -1 3 274.273 1.758 20 5 CDBDHM CN(CCNC(=O)C1CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099893874 936816690 /nfs/dbraw/zinc/81/66/90/936816690.db2.gz ZUDWCPPEIGYBLD-UHFFFAOYSA-N -1 3 294.311 1.048 20 5 CDBDHM COC(=O)Cn1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199814062 925875977 /nfs/dbraw/zinc/87/59/77/925875977.db2.gz CNUNUJSLWCVVNR-UHFFFAOYSA-N -1 3 292.251 1.414 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2COC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000853468550 928023888 /nfs/dbraw/zinc/02/38/88/928023888.db2.gz YSCWQRVNGVYRRQ-SECBINFHSA-N -1 3 295.295 1.793 20 5 CDBDHM O=c1[n-]ccc(N2CCC(CCCO)CC2)c1[N+](=O)[O-] ZINC000695468028 937266119 /nfs/dbraw/zinc/26/61/19/937266119.db2.gz CXDPMRKDTRPMBT-UHFFFAOYSA-N -1 3 281.312 1.684 20 5 CDBDHM CCN1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621146 941889594 /nfs/dbraw/zinc/88/95/94/941889594.db2.gz CIIWFQUYLPLTDV-SECBINFHSA-N -1 3 252.270 1.773 20 5 CDBDHM C[C@@H](OC1=NC(=O)CC([O-])=N1)c1ccccc1[N+](=O)[O-] ZINC001228389198 942310610 /nfs/dbraw/zinc/31/06/10/942310610.db2.gz TUJZLHLNAIGKQR-SSDOTTSWSA-N -1 3 277.236 1.936 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC001228689338 942358829 /nfs/dbraw/zinc/35/88/29/942358829.db2.gz RUCGPNPUPDESEV-APPZFPTMSA-N -1 3 268.269 1.950 20 5 CDBDHM COc1ccc(CC(=O)[N-]OC(C)C)cc1[N+](=O)[O-] ZINC001261270242 946026887 /nfs/dbraw/zinc/02/68/87/946026887.db2.gz QUHBQYWKADYZDK-UHFFFAOYSA-N -1 3 268.269 1.602 20 5 CDBDHM Cc1cnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])nc1 ZINC001307148845 954183080 /nfs/dbraw/zinc/18/30/80/954183080.db2.gz MYTOUKMWVMQVCW-UHFFFAOYSA-N -1 3 261.241 1.406 20 5 CDBDHM CN1CCCC[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166733562 959320653 /nfs/dbraw/zinc/32/06/53/959320653.db2.gz PJNTUYMYIWVMJK-SECBINFHSA-N -1 3 294.311 1.584 20 5 CDBDHM O=C([O-])CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001323298386 960622686 /nfs/dbraw/zinc/62/26/86/960622686.db2.gz RSKXARVBXQEVTA-UHFFFAOYSA-N -1 3 276.195 1.370 20 5 CDBDHM C[C@@H]1OCC[C@]1(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594640781 986790422 /nfs/dbraw/zinc/79/04/22/986790422.db2.gz UCZONUOTHWOQEA-XPTSAGLGSA-N -1 3 294.307 1.950 20 5 CDBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001593703705 996181416 /nfs/dbraw/zinc/18/14/16/996181416.db2.gz SRHIJHCVEUQDJF-HWNAMQAFSA-N -1 3 276.292 1.918 20 5 CDBDHM CC1(C)COC[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593958668 997066184 /nfs/dbraw/zinc/06/61/84/997066184.db2.gz DOLWCFXEZFAARI-GFCCVEGCSA-N -1 3 294.307 1.808 20 5 CDBDHM C[C@@H]1[C@H](CO)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594187512 998725786 /nfs/dbraw/zinc/72/57/86/998725786.db2.gz GYPYWHJZQSBSKI-KOLCDFICSA-N -1 3 294.307 1.496 20 5 CDBDHM CN(C[C@H]1CCCCO1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596087350 343233243 /nfs/dbraw/zinc/23/32/43/343233243.db2.gz MQFAHKABCDYJNX-SECBINFHSA-N -1 3 267.285 1.701 20 5 CDBDHM Cn1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596192406 343253165 /nfs/dbraw/zinc/25/31/65/343253165.db2.gz REYNMWXKLDQRBQ-UHFFFAOYSA-N -1 3 263.257 1.084 20 5 CDBDHM C[C@H]1OCC[C@H]1Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172472 343259327 /nfs/dbraw/zinc/25/93/27/343259327.db2.gz LQNYOPMRQKNYSR-RNFRBKRXSA-N -1 3 256.283 1.965 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596174662 343260192 /nfs/dbraw/zinc/26/01/92/343260192.db2.gz MMYPTUZMSIZULO-NSHDSACASA-N -1 3 293.323 1.948 20 5 CDBDHM O=c1[n-]ccc(NCC2=CCCOC2)c1[N+](=O)[O-] ZINC000596236413 343282315 /nfs/dbraw/zinc/28/23/15/343282315.db2.gz USGVHIJBIAPFOE-UHFFFAOYSA-N -1 3 251.242 1.454 20 5 CDBDHM CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436978574 362243770 /nfs/dbraw/zinc/24/37/70/362243770.db2.gz ILHJJUOGBVPELM-UHFFFAOYSA-N -1 3 295.339 1.762 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000609893923 346037134 /nfs/dbraw/zinc/03/71/34/346037134.db2.gz VGKZJEIOBXFCOT-MRVPVSSYSA-N -1 3 297.702 1.567 20 5 CDBDHM CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000308711405 356337174 /nfs/dbraw/zinc/33/71/74/356337174.db2.gz WSAVDZHFTYAAJO-UHFFFAOYSA-N -1 3 281.312 1.370 20 5 CDBDHM O=C([N-]OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000187899244 357820552 /nfs/dbraw/zinc/82/05/52/357820552.db2.gz MIPDDEOJBGQKJI-SSDOTTSWSA-N -1 3 272.282 1.354 20 5 CDBDHM CSc1nnc(NC(=O)CCC(C)(C)[N+](=O)[O-])[n-]1 ZINC000294822740 199199623 /nfs/dbraw/zinc/19/96/23/199199623.db2.gz WKORNEQYBVAZGB-UHFFFAOYSA-N -1 3 273.318 1.301 20 5 CDBDHM CSc1n[n-]c(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000294822740 199199625 /nfs/dbraw/zinc/19/96/25/199199625.db2.gz WKORNEQYBVAZGB-UHFFFAOYSA-N -1 3 273.318 1.301 20 5 CDBDHM CSc1nc(NC(=O)CCC(C)(C)[N+](=O)[O-])n[n-]1 ZINC000294822740 199199627 /nfs/dbraw/zinc/19/96/27/199199627.db2.gz WKORNEQYBVAZGB-UHFFFAOYSA-N -1 3 273.318 1.301 20 5 CDBDHM COc1cc(C(=O)[N-]N2CCCCC2=O)ccc1[N+](=O)[O-] ZINC000102641403 358884484 /nfs/dbraw/zinc/88/44/84/358884484.db2.gz BMGUEWAMAZETLT-UHFFFAOYSA-N -1 3 293.279 1.261 20 5 CDBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc3[nH]cnc32)n1 ZINC000357908976 359017690 /nfs/dbraw/zinc/01/76/90/359017690.db2.gz KKFYENJEAPALBD-UHFFFAOYSA-N -1 3 286.251 1.457 20 5 CDBDHM CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436667344 359073685 /nfs/dbraw/zinc/07/36/85/359073685.db2.gz XQKXSRISASIBHG-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM Cc1c(CC(=O)[N-]OC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000297372173 200166772 /nfs/dbraw/zinc/16/67/72/200166772.db2.gz ZROQQXDUBDCYRM-UHFFFAOYSA-N -1 3 282.296 1.264 20 5 CDBDHM CN[C@@H](C)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420243958 283645331 /nfs/dbraw/zinc/64/53/31/283645331.db2.gz PUOHTTSEHTUXDU-QMMMGPOBSA-N -1 3 277.284 1.087 20 5 CDBDHM Cc1nc([N-]C(=O)c2c(C)cccc2[N+](=O)[O-])nn1C ZINC000293779880 370529283 /nfs/dbraw/zinc/52/92/83/370529283.db2.gz VYTNCOLRSHXOBM-UHFFFAOYSA-N -1 3 275.268 1.592 20 5 CDBDHM Cc1nn([C@H](C)c2nc(C)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000294229706 375800751 /nfs/dbraw/zinc/80/07/51/375800751.db2.gz OFENTSJMVIGESH-MRVPVSSYSA-N -1 3 263.257 1.513 20 5 CDBDHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493430252 390199592 /nfs/dbraw/zinc/19/95/92/390199592.db2.gz ILPXCZJPVWOFFQ-FMFIFOJESA-N -1 3 294.307 1.673 20 5 CDBDHM O=[N+]([O-])c1ccc(Sc2n[n-]c(CO)n2)cc1 ZINC000526074559 392945963 /nfs/dbraw/zinc/94/59/63/392945963.db2.gz SWOWMZHGLBDDRN-UHFFFAOYSA-N -1 3 252.255 1.356 20 5 CDBDHM CCn1nc(C)c([N+](=O)[O-])c1NCCc1c(C)[n-][nH]c1=O ZINC000530475027 393051689 /nfs/dbraw/zinc/05/16/89/393051689.db2.gz JSOBKBVFZXXHMG-VIFPVBQESA-N -1 3 294.315 1.044 20 5 CDBDHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000233979218 140228244 /nfs/dbraw/zinc/22/82/44/140228244.db2.gz BPJZYJZNPHHJPW-HQJQHLMTSA-N -1 3 267.285 1.612 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cscn1 ZINC000184398089 148348709 /nfs/dbraw/zinc/34/87/09/148348709.db2.gz DOGCHGDTDYBMCW-UHFFFAOYSA-N -1 3 253.243 1.037 20 5 CDBDHM C[C@H](CCO)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589833851 1173190565 /nfs/dbraw/zinc/19/05/65/1173190565.db2.gz CAPPDKWLWXZLMI-SSDOTTSWSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@H](CCO)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589833851 1173190570 /nfs/dbraw/zinc/19/05/70/1173190570.db2.gz CAPPDKWLWXZLMI-SSDOTTSWSA-N -1 3 295.324 1.638 20 5 CDBDHM COCCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591414582 1173649692 /nfs/dbraw/zinc/64/96/92/1173649692.db2.gz SDNSANGAWAACCH-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM COCCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591414582 1173649695 /nfs/dbraw/zinc/64/96/95/1173649695.db2.gz SDNSANGAWAACCH-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])nc1)C2 ZINC000563423844 316305927 /nfs/dbraw/zinc/30/59/27/316305927.db2.gz PAMGGBVVTLUXMS-UHFFFAOYSA-N -1 3 273.252 1.048 20 5 CDBDHM CC(C)[C@@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423751070 535208621 /nfs/dbraw/zinc/20/86/21/535208621.db2.gz YDJFVYWRLCXOSP-SECBINFHSA-N -1 3 287.703 1.876 20 5 CDBDHM C[C@@H](CO)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736037881 575553258 /nfs/dbraw/zinc/55/32/58/575553258.db2.gz PWVPAWWUKDUKIX-ZETCQYMHSA-N -1 3 295.324 1.495 20 5 CDBDHM C[C@@H](CO)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736037881 575553260 /nfs/dbraw/zinc/55/32/60/575553260.db2.gz PWVPAWWUKDUKIX-ZETCQYMHSA-N -1 3 295.324 1.495 20 5 CDBDHM Cc1cc(=O)[n-]c(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)n1 ZINC000763263994 576727572 /nfs/dbraw/zinc/72/75/72/576727572.db2.gz YUEHIAYWOBDOKB-UHFFFAOYSA-N -1 3 296.670 1.262 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCC(F)F ZINC000759334054 577169817 /nfs/dbraw/zinc/16/98/17/577169817.db2.gz HIODLPBAFZDULZ-UHFFFAOYSA-N -1 3 260.196 1.450 20 5 CDBDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](C)O ZINC000820467655 599100367 /nfs/dbraw/zinc/10/03/67/599100367.db2.gz KZRUSURHOUFXJI-NKWVEPMBSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](C)O ZINC000820467655 599100369 /nfs/dbraw/zinc/10/03/69/599100369.db2.gz KZRUSURHOUFXJI-NKWVEPMBSA-N -1 3 295.324 1.636 20 5 CDBDHM COc1c([O-])ccc(CN2CC(O)(C(C)C)C2)c1[N+](=O)[O-] ZINC000894821765 619074639 /nfs/dbraw/zinc/07/46/39/619074639.db2.gz JNJMUPFIOXVKEP-UHFFFAOYSA-N -1 3 296.323 1.512 20 5 CDBDHM CC(COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[N+](=O)[O-] ZINC001604203786 1163116973 /nfs/dbraw/zinc/11/69/73/1163116973.db2.gz STIZABCDIRISRD-IWSPIJDZSA-N -1 3 259.258 1.086 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ncccn1 ZINC001607084364 1164073185 /nfs/dbraw/zinc/07/31/85/1164073185.db2.gz BJDKSTRLODECAQ-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ncccn1 ZINC001607084364 1164073192 /nfs/dbraw/zinc/07/31/92/1164073192.db2.gz BJDKSTRLODECAQ-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=C([O-])[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001608824606 1164652705 /nfs/dbraw/zinc/65/27/05/1164652705.db2.gz IZJBZQOGELTAGY-ZKCHVHJHSA-N -1 3 291.263 1.689 20 5 CDBDHM C[C@@H]1CCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590276471 1173335506 /nfs/dbraw/zinc/33/55/06/1173335506.db2.gz LNUOWXPVCKEMFE-SSDOTTSWSA-N -1 3 260.257 1.374 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@H](CF)C2)c(-c2nnn[n-]2)c1 ZINC001593476038 1174083027 /nfs/dbraw/zinc/08/30/27/1174083027.db2.gz IUHCSURUNYUTIZ-MRVPVSSYSA-N -1 3 292.274 1.571 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@H](CF)C2)c(-c2nn[n-]n2)c1 ZINC001593476038 1174083031 /nfs/dbraw/zinc/08/30/31/1174083031.db2.gz IUHCSURUNYUTIZ-MRVPVSSYSA-N -1 3 292.274 1.571 20 5 CDBDHM CCCO[N-]C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869085001 818547606 /nfs/dbraw/zinc/54/76/06/818547606.db2.gz PPBYWWSXEZGUKV-UHFFFAOYSA-N -1 3 256.233 1.734 20 5 CDBDHM CCc1nc(O[C@@H](C[N+](=O)[O-])C2CC2)cc(=O)[n-]1 ZINC001226476469 905240012 /nfs/dbraw/zinc/24/00/12/905240012.db2.gz RWPAKWOGLMGZSA-QMMMGPOBSA-N -1 3 253.258 1.179 20 5 CDBDHM CC(=O)N(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001058035297 936597082 /nfs/dbraw/zinc/59/70/82/936597082.db2.gz BWENLADDTNAVFM-UHFFFAOYSA-N -1 3 294.311 1.143 20 5 CDBDHM COCCn1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199814077 925875604 /nfs/dbraw/zinc/87/56/04/925875604.db2.gz DMJLQNPAHAOZFF-UHFFFAOYSA-N -1 3 278.268 1.887 20 5 CDBDHM COC(=O)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000853524661 928038622 /nfs/dbraw/zinc/03/86/22/928038622.db2.gz ZUNGXAASTYTERU-JGVFFNPUSA-N -1 3 281.268 1.083 20 5 CDBDHM C[C@@H](CF)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000885410504 930716733 /nfs/dbraw/zinc/71/67/33/930716733.db2.gz OZVBQWGAXNGYAT-ZETCQYMHSA-N -1 3 262.262 1.231 20 5 CDBDHM C[C@H](O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824698501 931477706 /nfs/dbraw/zinc/47/77/06/931477706.db2.gz LPFBKGAJBWIVRI-YUMQZZPRSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824698501 931477709 /nfs/dbraw/zinc/47/77/09/931477709.db2.gz LPFBKGAJBWIVRI-YUMQZZPRSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1ncc(Nc2ncnc3cc([N+](=O)[O-])ccc32)c(=O)[n-]1 ZINC001162300731 938974649 /nfs/dbraw/zinc/97/46/49/938974649.db2.gz LFGNDDXTLWVCEO-LLVKDONJSA-N -1 3 298.262 1.348 20 5 CDBDHM CCN1CC[C@@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225489075 941869260 /nfs/dbraw/zinc/86/92/60/941869260.db2.gz QKFPHHJHLFMUTL-SNVBAGLBSA-N -1 3 252.270 1.773 20 5 CDBDHM CC(=O)N1CC[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228684920 942356787 /nfs/dbraw/zinc/35/67/87/942356787.db2.gz BOEUHYHLBWNLFA-SECBINFHSA-N -1 3 281.268 1.003 20 5 CDBDHM COCC(COC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687602 942357748 /nfs/dbraw/zinc/35/77/48/942357748.db2.gz YZZPBTKZCRTUNS-UHFFFAOYSA-N -1 3 272.257 1.044 20 5 CDBDHM C[C@@H]1C[C@@H]1c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC001256710502 948403767 /nfs/dbraw/zinc/40/37/67/948403767.db2.gz WPLXQNNVHZBICA-VDTYLAMSSA-N -1 3 262.225 1.869 20 5 CDBDHM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000090360174 958110882 /nfs/dbraw/zinc/11/08/82/958110882.db2.gz OXEUKMIHWGTDRN-NSHDSACASA-N -1 3 295.251 1.456 20 5 CDBDHM C[C@@H]1[C@@H](CO)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594187513 998725890 /nfs/dbraw/zinc/72/58/90/998725890.db2.gz GYPYWHJZQSBSKI-MWLCHTKSSA-N -1 3 294.307 1.496 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@H](F)C1 ZINC001593474911 1174080865 /nfs/dbraw/zinc/08/08/65/1174080865.db2.gz MMSKYTAWKZENFV-QMMMGPOBSA-N -1 3 278.247 1.323 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@H](F)C1 ZINC001593474911 1174080872 /nfs/dbraw/zinc/08/08/72/1174080872.db2.gz MMSKYTAWKZENFV-QMMMGPOBSA-N -1 3 278.247 1.323 20 5 CDBDHM CC[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000070249053 361869229 /nfs/dbraw/zinc/86/92/29/361869229.db2.gz LPERXYYAWKPFOY-QMMMGPOBSA-N -1 3 288.325 1.680 20 5 CDBDHM CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)C(=O)[O-] ZINC000595882898 343179784 /nfs/dbraw/zinc/17/97/84/343179784.db2.gz RWLRTJIMHFJQRJ-VIFPVBQESA-N -1 3 282.296 1.898 20 5 CDBDHM COCCOC[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596139473 343241566 /nfs/dbraw/zinc/24/15/66/343241566.db2.gz BMGZCVDSPNXTOZ-SNVBAGLBSA-N -1 3 297.311 1.185 20 5 CDBDHM C[C@@H]1CCC[C@@]1(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596247278 343286517 /nfs/dbraw/zinc/28/65/17/343286517.db2.gz MPGYSKPLNRIEFN-PRHODGIISA-N -1 3 267.285 1.658 20 5 CDBDHM CCCN1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596280387 343286918 /nfs/dbraw/zinc/28/69/18/343286918.db2.gz ZWOLRVWWWXEPMG-VIFPVBQESA-N -1 3 294.311 1.366 20 5 CDBDHM CC[C@@H](C)C[C@H](CO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596288245 343288797 /nfs/dbraw/zinc/28/87/97/343288797.db2.gz FKPPGQSCNARLFI-RKDXNWHRSA-N -1 3 269.301 1.904 20 5 CDBDHM CC1(C)[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1O ZINC000596200899 343263732 /nfs/dbraw/zinc/26/37/32/343263732.db2.gz PUPCFMNCSHFGMX-SFYZADRCSA-N -1 3 253.258 1.267 20 5 CDBDHM CON1CCC(N(C)c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596261459 343278271 /nfs/dbraw/zinc/27/82/71/343278271.db2.gz VDWIAPLZHIPMGY-UHFFFAOYSA-N -1 3 282.300 1.157 20 5 CDBDHM O=c1[nH]c(Cc2ccc([N+](=O)[O-])cn2)nc2ccc([O-])cc12 ZINC000436981096 362246665 /nfs/dbraw/zinc/24/66/65/362246665.db2.gz PRQPUJWLNUWNHY-UHFFFAOYSA-N -1 3 298.258 1.935 20 5 CDBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1CO ZINC000598637819 343863847 /nfs/dbraw/zinc/86/38/47/343863847.db2.gz NBZGDDCYZRADMN-DTWKUNHWSA-N -1 3 267.285 1.150 20 5 CDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1[O-] ZINC000067287701 349020531 /nfs/dbraw/zinc/02/05/31/349020531.db2.gz RUADALBYOWOIFM-UHFFFAOYSA-N -1 3 276.252 1.526 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000411992897 363403314 /nfs/dbraw/zinc/40/33/14/363403314.db2.gz XNJBOYRAUFYNAQ-ZWNOBZJWSA-N -1 3 296.323 1.178 20 5 CDBDHM COc1ccc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)nn1 ZINC000348356018 367197523 /nfs/dbraw/zinc/19/75/23/367197523.db2.gz NKUDXKXBQZNGCT-UHFFFAOYSA-N -1 3 292.226 1.785 20 5 CDBDHM CC(C)CON=C([O-])Nc1ccncc1[N+](=O)[O-] ZINC000272636785 367785754 /nfs/dbraw/zinc/78/57/54/367785754.db2.gz BPGKTPLTTWGWQA-UHFFFAOYSA-N -1 3 254.246 1.699 20 5 CDBDHM CC(C)CO[N-]C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272636785 367785758 /nfs/dbraw/zinc/78/57/58/367785758.db2.gz BPGKTPLTTWGWQA-UHFFFAOYSA-N -1 3 254.246 1.699 20 5 CDBDHM COc1ccc([N-]S(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC000272881739 372299194 /nfs/dbraw/zinc/29/91/94/372299194.db2.gz HEEVZBMBKZGTNE-UHFFFAOYSA-N -1 3 272.282 1.508 20 5 CDBDHM Cc1nc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000113709955 374274506 /nfs/dbraw/zinc/27/45/06/374274506.db2.gz ABGGEPDCTJREBL-UHFFFAOYSA-N -1 3 265.204 1.413 20 5 CDBDHM COCc1nnc(Sc2ncccc2[N+](=O)[O-])[n-]1 ZINC000354377992 375702566 /nfs/dbraw/zinc/70/25/66/375702566.db2.gz FWDCRXAIDGSZHA-UHFFFAOYSA-N -1 3 267.270 1.406 20 5 CDBDHM COCc1n[n-]c(Sc2ncccc2[N+](=O)[O-])n1 ZINC000354377992 375702576 /nfs/dbraw/zinc/70/25/76/375702576.db2.gz FWDCRXAIDGSZHA-UHFFFAOYSA-N -1 3 267.270 1.406 20 5 CDBDHM COCc1nc(Sc2ncccc2[N+](=O)[O-])n[n-]1 ZINC000354377992 375702588 /nfs/dbraw/zinc/70/25/88/375702588.db2.gz FWDCRXAIDGSZHA-UHFFFAOYSA-N -1 3 267.270 1.406 20 5 CDBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cnn[n-]1 ZINC000171135779 376215904 /nfs/dbraw/zinc/21/59/04/376215904.db2.gz VGSVEAPFVCRWGY-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c[n-]nn1 ZINC000171135779 376215909 /nfs/dbraw/zinc/21/59/09/376215909.db2.gz VGSVEAPFVCRWGY-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cn[n-]n1 ZINC000171135779 376215914 /nfs/dbraw/zinc/21/59/14/376215914.db2.gz VGSVEAPFVCRWGY-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM CCN1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269297942 132151482 /nfs/dbraw/zinc/15/14/82/132151482.db2.gz SFVQVNGCWLETFX-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000286033378 296920313 /nfs/dbraw/zinc/92/03/13/296920313.db2.gz KKCCEZJKZNHDDL-RKDXNWHRSA-N -1 3 279.296 1.123 20 5 CDBDHM C[C@H](F)CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589910836 1173203727 /nfs/dbraw/zinc/20/37/27/1173203727.db2.gz COCWRIUHXLOCOC-ZETCQYMHSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@H](F)CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589910836 1173203731 /nfs/dbraw/zinc/20/37/31/1173203731.db2.gz COCWRIUHXLOCOC-ZETCQYMHSA-N -1 3 280.263 1.935 20 5 CDBDHM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C1CC1 ZINC000563134401 293285305 /nfs/dbraw/zinc/28/53/05/293285305.db2.gz AEFRNVGXXUYLBL-UHFFFAOYSA-N -1 3 271.298 1.541 20 5 CDBDHM CCCN(CC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000576473417 317145543 /nfs/dbraw/zinc/14/55/43/317145543.db2.gz XGBIHLUWLLQSRY-UHFFFAOYSA-N -1 3 292.295 1.768 20 5 CDBDHM O=C(OCc1cc(=O)c([O-])co1)c1cccc([N+](=O)[O-])c1 ZINC000735962154 575539896 /nfs/dbraw/zinc/53/98/96/575539896.db2.gz BFADMRSCGXDDEU-UHFFFAOYSA-N -1 3 291.215 1.611 20 5 CDBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736279039 575610522 /nfs/dbraw/zinc/61/05/22/575610522.db2.gz JQEWVWIQOMJSCR-SSDOTTSWSA-N -1 3 275.272 1.016 20 5 CDBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736279039 575610524 /nfs/dbraw/zinc/61/05/24/575610524.db2.gz JQEWVWIQOMJSCR-SSDOTTSWSA-N -1 3 275.272 1.016 20 5 CDBDHM C[C@@H](O)[C@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820467558 599100261 /nfs/dbraw/zinc/10/02/61/599100261.db2.gz JOZKNNORWKYFKV-RITPCOANSA-N -1 3 296.312 1.031 20 5 CDBDHM COc1c([O-])ccc(CN2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000891708610 617548986 /nfs/dbraw/zinc/54/89/86/617548986.db2.gz ZYJGQFNCRBBPHI-UHFFFAOYSA-N -1 3 296.323 1.920 20 5 CDBDHM COc1c([O-])ccc(CNC(CF)CF)c1[N+](=O)[O-] ZINC000894668083 619009293 /nfs/dbraw/zinc/00/92/93/619009293.db2.gz PQBUNAMRJWHUKA-UHFFFAOYSA-N -1 3 276.239 1.706 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCc1cccnc1 ZINC000153242125 631520676 /nfs/dbraw/zinc/52/06/76/631520676.db2.gz SYOJCLGHONHTMW-UHFFFAOYSA-N -1 3 287.275 1.780 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@H]2CCSC2)ccc1-c1nnn[n-]1 ZINC001607079760 1164071171 /nfs/dbraw/zinc/07/11/71/1164071171.db2.gz LGMONCHMIXXHGW-QMMMGPOBSA-N -1 3 292.324 1.692 20 5 CDBDHM O=[N+]([O-])c1cccnc1NCc1cncc(-c2nnn[n-]2)c1 ZINC001582804857 1172692240 /nfs/dbraw/zinc/69/22/40/1172692240.db2.gz OUALRKGCQIHYNG-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cccnc1NCc1cncc(-c2nn[n-]n2)c1 ZINC001582804857 1172692245 /nfs/dbraw/zinc/69/22/45/1172692245.db2.gz OUALRKGCQIHYNG-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM CC(C)[C@H](O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589480569 1173148074 /nfs/dbraw/zinc/14/80/74/1173148074.db2.gz PFPGVKBHEADIPS-SNVBAGLBSA-N -1 3 292.299 1.204 20 5 CDBDHM CC(C)[C@H](O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589480569 1173148080 /nfs/dbraw/zinc/14/80/80/1173148080.db2.gz PFPGVKBHEADIPS-SNVBAGLBSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H]1CCN1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590275494 1173336621 /nfs/dbraw/zinc/33/66/21/1173336621.db2.gz BYCXMAFNVFYIEB-SSDOTTSWSA-N -1 3 260.257 1.374 20 5 CDBDHM C[C@@H]1CCN1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590275494 1173336623 /nfs/dbraw/zinc/33/66/23/1173336623.db2.gz BYCXMAFNVFYIEB-SSDOTTSWSA-N -1 3 260.257 1.374 20 5 CDBDHM CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590746028 1173505405 /nfs/dbraw/zinc/50/54/05/1173505405.db2.gz FRAHJHXKQBMUSE-UHFFFAOYSA-N -1 3 252.209 1.346 20 5 CDBDHM CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590746028 1173505407 /nfs/dbraw/zinc/50/54/07/1173505407.db2.gz FRAHJHXKQBMUSE-UHFFFAOYSA-N -1 3 252.209 1.346 20 5 CDBDHM Cc1cc(N2CC(C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591999557 1173769157 /nfs/dbraw/zinc/76/91/57/1173769157.db2.gz PTLAKWBOTLKMJB-UHFFFAOYSA-N -1 3 274.284 1.539 20 5 CDBDHM Cc1cc(N2CC(C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591999557 1173769158 /nfs/dbraw/zinc/76/91/58/1173769158.db2.gz PTLAKWBOTLKMJB-UHFFFAOYSA-N -1 3 274.284 1.539 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC(F)F ZINC001593469226 1174079679 /nfs/dbraw/zinc/07/96/79/1174079679.db2.gz UOIWOXFAHAFCBS-UHFFFAOYSA-N -1 3 288.189 1.591 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC(F)F ZINC001593469226 1174079684 /nfs/dbraw/zinc/07/96/84/1174079684.db2.gz UOIWOXFAHAFCBS-UHFFFAOYSA-N -1 3 288.189 1.591 20 5 CDBDHM O=[N+]([O-])c1cc(NCCC2CC2)ccc1-c1nnn[n-]1 ZINC001593474570 1174080783 /nfs/dbraw/zinc/08/07/83/1174080783.db2.gz TYGLJCILTOVVOC-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@H]2CC23CC3)c(-c2nnn[n-]2)c1 ZINC001593478477 1174081282 /nfs/dbraw/zinc/08/12/82/1174081282.db2.gz IUIBTHNDUZYDNB-JTQLQIEISA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@H]2CC23CC3)c(-c2nn[n-]n2)c1 ZINC001593478477 1174081289 /nfs/dbraw/zinc/08/12/89/1174081289.db2.gz IUIBTHNDUZYDNB-JTQLQIEISA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1cccc(Cn2cc(-c3nnn[n-]3)cn2)c1 ZINC001593483691 1174085274 /nfs/dbraw/zinc/08/52/74/1174085274.db2.gz CMLAEIWZHNRCRH-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1cccc(Cn2cc(-c3nn[n-]n3)cn2)c1 ZINC001593483691 1174085277 /nfs/dbraw/zinc/08/52/77/1174085277.db2.gz CMLAEIWZHNRCRH-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM CC(C)(CC(=O)[O-])NCc1cccnc1[N+](=O)[O-] ZINC001603591527 1175572703 /nfs/dbraw/zinc/57/27/03/1175572703.db2.gz COTUGWNYOCOXOJ-UHFFFAOYSA-N -1 3 253.258 1.333 20 5 CDBDHM C[C@H]1C[C@H](C)N1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603845731 1175652012 /nfs/dbraw/zinc/65/20/12/1175652012.db2.gz FCXKQSLPSKBALW-YUMQZZPRSA-N -1 3 274.284 1.762 20 5 CDBDHM C[C@H]1C[C@H](C)N1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603845731 1175652014 /nfs/dbraw/zinc/65/20/14/1175652014.db2.gz FCXKQSLPSKBALW-YUMQZZPRSA-N -1 3 274.284 1.762 20 5 CDBDHM CCCO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844085774 828359836 /nfs/dbraw/zinc/35/98/36/828359836.db2.gz RMQXSWJAWRNGKD-UHFFFAOYSA-N -1 3 297.267 1.893 20 5 CDBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]C(CF)CF)c1 ZINC000885416719 823966302 /nfs/dbraw/zinc/96/63/02/823966302.db2.gz LDEVCLOTGNLZSU-UHFFFAOYSA-N -1 3 280.252 1.181 20 5 CDBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC000195178509 824431630 /nfs/dbraw/zinc/43/16/30/824431630.db2.gz DPWPRAWTYQGWRL-UHFFFAOYSA-N -1 3 274.236 1.530 20 5 CDBDHM CC(C)(C)[S@](=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853345359 826800033 /nfs/dbraw/zinc/80/00/33/826800033.db2.gz RMFJPNZSWPOZHN-LJQANCHMSA-N -1 3 287.341 1.655 20 5 CDBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000010490492 826895684 /nfs/dbraw/zinc/89/56/84/826895684.db2.gz SUANDRSBFDHOHE-UHFFFAOYSA-N -1 3 297.292 1.702 20 5 CDBDHM CCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094274866 910432167 /nfs/dbraw/zinc/43/21/67/910432167.db2.gz FLDUEZVWPSOOGU-UHFFFAOYSA-N -1 3 268.273 1.024 20 5 CDBDHM NCc1nccnc1[N-]c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001160244880 938776577 /nfs/dbraw/zinc/77/65/77/938776577.db2.gz QQMVQCKVJSTWQA-UHFFFAOYSA-N -1 3 280.675 1.636 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC001218433932 941218483 /nfs/dbraw/zinc/21/84/83/941218483.db2.gz VKPQNMQBPSYGJW-OCAPTIKFSA-N -1 3 254.242 1.154 20 5 CDBDHM CN1CCC[C@@H](Oc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225488978 941868219 /nfs/dbraw/zinc/86/82/19/941868219.db2.gz OTYZPNZTUXUVPA-SNVBAGLBSA-N -1 3 252.270 1.773 20 5 CDBDHM O=[N+]([O-])C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C1CC1 ZINC001225667681 941897685 /nfs/dbraw/zinc/89/76/85/941897685.db2.gz WOVOYBDWFBEKJY-MRVPVSSYSA-N -1 3 269.213 1.130 20 5 CDBDHM O=C1OCCC[C@@H]1Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226332571 941987892 /nfs/dbraw/zinc/98/78/92/941987892.db2.gz CHQVJTNCPMADBB-VIFPVBQESA-N -1 3 253.210 1.385 20 5 CDBDHM CCCOC(=O)[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690728 942205602 /nfs/dbraw/zinc/20/56/02/942205602.db2.gz KGFJGGMTGHBGBD-SSDOTTSWSA-N -1 3 294.267 1.587 20 5 CDBDHM O=C1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C1CC1 ZINC001328014696 955160262 /nfs/dbraw/zinc/16/02/62/955160262.db2.gz WPIDRZXTLMWWFG-MRVPVSSYSA-N -1 3 292.295 1.118 20 5 CDBDHM O=C([O-])[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774665 958312535 /nfs/dbraw/zinc/31/25/35/958312535.db2.gz FDLAILOCXQTHRD-LLVKDONJSA-N -1 3 268.244 1.783 20 5 CDBDHM Cc1ccc(CNCCOCC(=O)[O-])cc1[N+](=O)[O-] ZINC001605277471 973067724 /nfs/dbraw/zinc/06/77/24/973067724.db2.gz FACDOQMAABOETL-UHFFFAOYSA-N -1 3 268.269 1.094 20 5 CDBDHM CC(COC(=O)Cc1ccccc1C(=O)[O-])[N+](=O)[O-] ZINC001592764542 979367352 /nfs/dbraw/zinc/36/73/52/979367352.db2.gz LDGQJBUKQANMTR-QMMMGPOBSA-N -1 3 267.237 1.136 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCC1CC1 ZINC001593475738 1174082324 /nfs/dbraw/zinc/08/23/24/1174082324.db2.gz SOSVQYWJPQKIMP-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCC1CC1 ZINC001593475738 1174082328 /nfs/dbraw/zinc/08/23/28/1174082328.db2.gz SOSVQYWJPQKIMP-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000093028760 342477637 /nfs/dbraw/zinc/47/76/37/342477637.db2.gz SIBJUTXSEJSAIX-RKDXNWHRSA-N -1 3 252.270 1.794 20 5 CDBDHM Cc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1[O-] ZINC000618935293 349559441 /nfs/dbraw/zinc/55/94/41/349559441.db2.gz NMKVFQOAIXXCFU-UHFFFAOYSA-N -1 3 262.225 1.584 20 5 CDBDHM CN(CC1CCOCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596178789 343249323 /nfs/dbraw/zinc/24/93/23/343249323.db2.gz KOVOONLFJJWLNV-UHFFFAOYSA-N -1 3 267.285 1.558 20 5 CDBDHM C[C@H](C[C@H]1CCOC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596161331 343256110 /nfs/dbraw/zinc/25/61/10/343256110.db2.gz UVYIGBJRPRFMPS-RKDXNWHRSA-N -1 3 267.285 1.922 20 5 CDBDHM CC(C)(C)c1nnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])[nH]1 ZINC000596265714 343279785 /nfs/dbraw/zinc/27/97/85/343279785.db2.gz WLEZBZLBQGFMJO-UHFFFAOYSA-N -1 3 292.299 1.723 20 5 CDBDHM C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCN1C ZINC000436831597 362248638 /nfs/dbraw/zinc/24/86/38/362248638.db2.gz XRDLHLSLOQVKSK-GXSJLCMTSA-N -1 3 293.323 1.513 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000599387323 344038074 /nfs/dbraw/zinc/03/80/74/344038074.db2.gz VUZZHLXGLHWOHI-UHFFFAOYSA-N -1 3 282.321 1.839 20 5 CDBDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000599509944 344078930 /nfs/dbraw/zinc/07/89/30/344078930.db2.gz SCBODOCXQYUZIQ-KYZUINATSA-N -1 3 286.309 1.051 20 5 CDBDHM CCc1nc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000182265577 270249164 /nfs/dbraw/zinc/24/91/64/270249164.db2.gz VYGIYMRWPRUENK-UHFFFAOYSA-N -1 3 281.297 1.898 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC2CC2)c1 ZINC000293679008 362918798 /nfs/dbraw/zinc/91/87/98/362918798.db2.gz AUEPXWRIIHAOIT-UHFFFAOYSA-N -1 3 266.253 1.675 20 5 CDBDHM CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C(=O)[O-] ZINC000566684674 358338996 /nfs/dbraw/zinc/33/89/96/358338996.db2.gz ZCTGHIKMPQDKOV-UHFFFAOYSA-N -1 3 292.295 1.766 20 5 CDBDHM C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1C ZINC000262413831 358820958 /nfs/dbraw/zinc/82/09/58/358820958.db2.gz QUTSUXQAZOYGJK-RKDXNWHRSA-N -1 3 279.296 1.123 20 5 CDBDHM CN1CCC[C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166733436 360263647 /nfs/dbraw/zinc/26/36/47/360263647.db2.gz GEMIDKXRRZUYHV-VIFPVBQESA-N -1 3 294.311 1.442 20 5 CDBDHM CC(=O)[N-]OCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000178193316 189096798 /nfs/dbraw/zinc/09/67/98/189096798.db2.gz JPIUPJGDZMHJQM-UHFFFAOYSA-N -1 3 268.269 1.950 20 5 CDBDHM C[C@H](O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272208581 367314511 /nfs/dbraw/zinc/31/45/11/367314511.db2.gz RCWCLYMNRWJZNS-ZETCQYMHSA-N -1 3 274.223 1.184 20 5 CDBDHM CN(C)C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000330420575 374850951 /nfs/dbraw/zinc/85/09/51/374850951.db2.gz GOHYPZWYSXJSBO-CYBMUJFWSA-N -1 3 295.339 1.063 20 5 CDBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351710758 375323591 /nfs/dbraw/zinc/32/35/91/375323591.db2.gz UETRVEPGFYDIFR-UHFFFAOYSA-N -1 3 291.267 1.683 20 5 CDBDHM CC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000352862024 375546939 /nfs/dbraw/zinc/54/69/39/375546939.db2.gz LMIDPNAENSJHQQ-UHFFFAOYSA-N -1 3 270.310 1.673 20 5 CDBDHM CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000604020066 375636654 /nfs/dbraw/zinc/63/66/54/375636654.db2.gz ZZBTYNOSMUFIFX-UHFFFAOYSA-N -1 3 294.329 1.375 20 5 CDBDHM C[C@@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCCN1C ZINC000354621747 375733474 /nfs/dbraw/zinc/73/34/74/375733474.db2.gz YTJHRKMULTZRHW-BXKDBHETSA-N -1 3 293.323 1.513 20 5 CDBDHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000032400634 375944636 /nfs/dbraw/zinc/94/46/36/375944636.db2.gz HNYDMRDASATERP-MRVPVSSYSA-N -1 3 288.325 1.680 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CC1 ZINC000046034105 377745120 /nfs/dbraw/zinc/74/51/20/377745120.db2.gz RLFBLFRNIKRJQN-UHFFFAOYSA-N -1 3 270.310 1.592 20 5 CDBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000269655948 391441703 /nfs/dbraw/zinc/44/17/03/391441703.db2.gz BIHMZAHFZJOKIR-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C[C@@H]21 ZINC000408469273 391660831 /nfs/dbraw/zinc/66/08/31/391660831.db2.gz SAQHIRUIMPRZQB-SKDRFNHKSA-N -1 3 291.307 1.077 20 5 CDBDHM C[C@H](CN(C)C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343806528 152310250 /nfs/dbraw/zinc/31/02/50/152310250.db2.gz LYGHCQNJXLTVQU-SECBINFHSA-N -1 3 291.311 1.429 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccno1 ZINC000349494137 154124163 /nfs/dbraw/zinc/12/41/63/154124163.db2.gz GFWMBDFOAKQBAD-UHFFFAOYSA-N -1 3 283.265 1.061 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C ZINC000046034413 175390215 /nfs/dbraw/zinc/39/02/15/175390215.db2.gz RCPGOJCOKCZJKR-UWVGGRQHSA-N -1 3 284.337 1.838 20 5 CDBDHM CC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590414030 1173398833 /nfs/dbraw/zinc/39/88/33/1173398833.db2.gz IOAMLPZDXZRWIV-SSDOTTSWSA-N -1 3 262.273 1.985 20 5 CDBDHM CC(C)[C@H](N)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420185848 280283072 /nfs/dbraw/zinc/28/30/72/280283072.db2.gz AEXLTOCRWLCITM-LLVKDONJSA-N -1 3 291.311 1.462 20 5 CDBDHM Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c([O-])c1 ZINC000547752050 289804189 /nfs/dbraw/zinc/80/41/89/289804189.db2.gz FCBOBAAPPQUCNI-UHFFFAOYSA-N -1 3 262.225 1.584 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])cn1)C2 ZINC000561775179 293102548 /nfs/dbraw/zinc/10/25/48/293102548.db2.gz MLXBAPTWSWSYKE-UHFFFAOYSA-N -1 3 273.252 1.048 20 5 CDBDHM Cc1cc(N2CCCO2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592006080 1173772043 /nfs/dbraw/zinc/77/20/43/1173772043.db2.gz PAAUTQROKKGWSA-UHFFFAOYSA-N -1 3 276.256 1.225 20 5 CDBDHM Cc1cc(N2CCCO2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592006080 1173772048 /nfs/dbraw/zinc/77/20/48/1173772048.db2.gz PAAUTQROKKGWSA-UHFFFAOYSA-N -1 3 276.256 1.225 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000360743246 482446807 /nfs/dbraw/zinc/44/68/07/482446807.db2.gz CVXFVYHXAJAYSY-UHFFFAOYSA-N -1 3 294.242 1.103 20 5 CDBDHM CCCCN(C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160334214 528346692 /nfs/dbraw/zinc/34/66/92/528346692.db2.gz DWVKHABPNATEDC-UHFFFAOYSA-N -1 3 295.339 1.762 20 5 CDBDHM CC[C@@H](C)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736322209 575622309 /nfs/dbraw/zinc/62/23/09/575622309.db2.gz JCGYMZWOVSQDQM-MRVPVSSYSA-N -1 3 291.315 1.652 20 5 CDBDHM CC[C@@H](C)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736322209 575622310 /nfs/dbraw/zinc/62/23/10/575622310.db2.gz JCGYMZWOVSQDQM-MRVPVSSYSA-N -1 3 291.315 1.652 20 5 CDBDHM COc1cccc(C(=O)[N-]OC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000768258739 576267304 /nfs/dbraw/zinc/26/73/04/576267304.db2.gz AKIXCCRZGIPWOV-VIFPVBQESA-N -1 3 296.279 1.301 20 5 CDBDHM O=C([N-]c1ccon1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000755755774 576959106 /nfs/dbraw/zinc/95/91/06/576959106.db2.gz JGNJALLKVQLAGF-UHFFFAOYSA-N -1 3 291.219 1.606 20 5 CDBDHM Cc1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1C ZINC000753131610 577147212 /nfs/dbraw/zinc/14/72/12/577147212.db2.gz ZZEKSDRMVIWJPY-UHFFFAOYSA-N -1 3 295.686 1.937 20 5 CDBDHM O=[N+]([O-])c1cc(NCC2CCC2)ccc1-c1nnn[n-]1 ZINC000823634461 606645253 /nfs/dbraw/zinc/64/52/53/606645253.db2.gz GHEDLHORCOTDQZ-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1cc(N2C3CCC2CC3)ccc1-c1nnn[n-]1 ZINC001607079216 1164072794 /nfs/dbraw/zinc/07/27/94/1164072794.db2.gz YGOHZLLPPVBLOE-UHFFFAOYSA-N -1 3 286.295 1.906 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1COc1cncnc1 ZINC001607084045 1164073281 /nfs/dbraw/zinc/07/32/81/1164073281.db2.gz RJPLXUWILGLXRV-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1COc1cncnc1 ZINC001607084045 1164073290 /nfs/dbraw/zinc/07/32/90/1164073290.db2.gz RJPLXUWILGLXRV-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM Cc1cc(N2CC[C@H]3C[C@H]32)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609405031 1164931615 /nfs/dbraw/zinc/93/16/15/1164931615.db2.gz SWRRSFZSXHOFTH-GZMMTYOYSA-N -1 3 286.295 1.682 20 5 CDBDHM Cc1cc(N2CC[C@H]3C[C@H]32)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609405031 1164931620 /nfs/dbraw/zinc/93/16/20/1164931620.db2.gz SWRRSFZSXHOFTH-GZMMTYOYSA-N -1 3 286.295 1.682 20 5 CDBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)O ZINC001589983308 1173222011 /nfs/dbraw/zinc/22/20/11/1173222011.db2.gz VUWKZOBWJNUOOT-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)O ZINC001589983308 1173222014 /nfs/dbraw/zinc/22/20/14/1173222014.db2.gz VUWKZOBWJNUOOT-ZETCQYMHSA-N -1 3 292.299 1.346 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC3(CC3)C2)c(-c2nnn[n-]2)c1 ZINC001593476356 1174080670 /nfs/dbraw/zinc/08/06/70/1174080670.db2.gz NENLGCILTPGPSW-UHFFFAOYSA-N -1 3 286.295 1.765 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC001593476356 1174080675 /nfs/dbraw/zinc/08/06/75/1174080675.db2.gz NENLGCILTPGPSW-UHFFFAOYSA-N -1 3 286.295 1.765 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC[C@@H]2C2CC2)ccc1-c1nnn[n-]1 ZINC001593471658 1174082739 /nfs/dbraw/zinc/08/27/39/1174082739.db2.gz RETVNRIWFDGWCJ-LLVKDONJSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593476700 1174082880 /nfs/dbraw/zinc/08/28/80/1174082880.db2.gz VKQSIRFQAPCDAA-RKDXNWHRSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593476700 1174082884 /nfs/dbraw/zinc/08/28/84/1174082884.db2.gz VKQSIRFQAPCDAA-RKDXNWHRSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1ccnn1Cc1ccc(-c2nnn[n-]2)s1 ZINC001593487114 1174085314 /nfs/dbraw/zinc/08/53/14/1174085314.db2.gz URANLXOAIQPGII-UHFFFAOYSA-N -1 3 277.269 1.081 20 5 CDBDHM C[C@H](N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)O ZINC001609760441 1165070779 /nfs/dbraw/zinc/07/07/79/1165070779.db2.gz GGZLUFOCCLYDIF-VIFPVBQESA-N -1 3 296.323 1.884 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000826499686 828854815 /nfs/dbraw/zinc/85/48/15/828854815.db2.gz SFPXPSVHFFZYRP-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000826499686 828854816 /nfs/dbraw/zinc/85/48/16/828854816.db2.gz SFPXPSVHFFZYRP-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=C([N-]n1ccccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000777784677 829068607 /nfs/dbraw/zinc/06/86/07/829068607.db2.gz STTZMTXYYQCDBA-UHFFFAOYSA-N -1 3 259.221 1.140 20 5 CDBDHM O=c1[n-]ccc(N2CCC(C3OCCO3)CC2)c1[N+](=O)[O-] ZINC000719025046 834608882 /nfs/dbraw/zinc/60/88/82/834608882.db2.gz ZYGLCHFMKWSBRP-UHFFFAOYSA-N -1 3 295.295 1.285 20 5 CDBDHM CC1(C)COC(=O)[C@H]1Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226334589 905119994 /nfs/dbraw/zinc/11/99/94/905119994.db2.gz WKHZIFHXEBEBJT-SNVBAGLBSA-N -1 3 267.237 1.631 20 5 CDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC001093449748 909781658 /nfs/dbraw/zinc/78/16/58/909781658.db2.gz NBVCVMFDZOCAHX-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM CN(C)c1ncc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199819574 925857032 /nfs/dbraw/zinc/85/70/32/925857032.db2.gz ZFYVCQUZEDCIIS-UHFFFAOYSA-N -1 3 275.268 1.900 20 5 CDBDHM CNC(=O)c1nccnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828794 925877666 /nfs/dbraw/zinc/87/76/66/925877666.db2.gz SRNIRTXCCLWMGH-UHFFFAOYSA-N -1 3 289.251 1.194 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000882803469 930082857 /nfs/dbraw/zinc/08/28/57/930082857.db2.gz RGKKJLGGWYHJQW-MRVPVSSYSA-N -1 3 255.249 1.881 20 5 CDBDHM CN(CCCNC(=O)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095457262 932514135 /nfs/dbraw/zinc/51/41/35/932514135.db2.gz RVYRPLTXOBQWBM-UHFFFAOYSA-N -1 3 294.311 1.048 20 5 CDBDHM COC(=O)c1n[nH]cc1[N-]c1ncc([N+](=O)[O-])cc1F ZINC001158633510 938644528 /nfs/dbraw/zinc/64/45/28/938644528.db2.gz WHDCAGNAARCWBW-UHFFFAOYSA-N -1 3 281.203 1.382 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CCSCC1 ZINC001225661190 941895372 /nfs/dbraw/zinc/89/53/72/941895372.db2.gz LXDLMPFLKYIJOL-UHFFFAOYSA-N -1 3 256.283 1.970 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@@H]1CCC=CO1 ZINC001225661561 941895960 /nfs/dbraw/zinc/89/59/60/941895960.db2.gz MMQXHYRBDHLTTI-QMMMGPOBSA-N -1 3 252.226 1.767 20 5 CDBDHM C=CC(=O)OC[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743889 942215586 /nfs/dbraw/zinc/21/55/86/942215586.db2.gz BRTXDYXXVOVHTC-MRVPVSSYSA-N -1 3 291.263 1.968 20 5 CDBDHM C=CC(=O)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743889 942215593 /nfs/dbraw/zinc/21/55/93/942215593.db2.gz BRTXDYXXVOVHTC-MRVPVSSYSA-N -1 3 291.263 1.968 20 5 CDBDHM O=C1CCc2cc([O-])c(O[C@@H](C[N+](=O)[O-])C3CC3)cc21 ZINC001228852698 942384191 /nfs/dbraw/zinc/38/41/91/942384191.db2.gz CJEJEGUZYXEXOL-AWEZNQCLSA-N -1 3 277.276 1.955 20 5 CDBDHM CC(COC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[N+](=O)[O-] ZINC001592763501 979363532 /nfs/dbraw/zinc/36/35/32/979363532.db2.gz GSLAEAISIFMTOQ-HLTSFMKQSA-N -1 3 259.258 1.086 20 5 CDBDHM C[C@@H]1COC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604820121 1163339147 /nfs/dbraw/zinc/33/91/47/1163339147.db2.gz WPXWTTVZMRWHGC-KCJUWKMLSA-N -1 3 280.280 1.418 20 5 CDBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1n[nH]cc1[N+](=O)[O-] ZINC000590556955 342576577 /nfs/dbraw/zinc/57/65/77/342576577.db2.gz RROPFSLEGCSXMK-UHFFFAOYSA-N -1 3 288.223 1.152 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]CCCF)cc1[N+](=O)[O-] ZINC000125667887 342145799 /nfs/dbraw/zinc/14/57/99/342145799.db2.gz BYZWOHRJNXYZPT-UHFFFAOYSA-N -1 3 282.318 1.603 20 5 CDBDHM C[C@@H]1[C@H](C(=O)[O-])CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000593751416 342832501 /nfs/dbraw/zinc/83/25/01/342832501.db2.gz ZXJYODLDGSRMSK-GHMZBOCLSA-N -1 3 294.307 1.769 20 5 CDBDHM CC[C@](C)(O)Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594651629 342933125 /nfs/dbraw/zinc/93/31/25/342933125.db2.gz FAOWNEBRTUREQL-ZDUSSCGKSA-N -1 3 292.295 1.585 20 5 CDBDHM CCOC(=O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596056139 343222109 /nfs/dbraw/zinc/22/21/09/343222109.db2.gz RKVSZZGNOIFFGP-VIFPVBQESA-N -1 3 295.295 1.475 20 5 CDBDHM CC(C)COC[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596081850 343219968 /nfs/dbraw/zinc/21/99/68/343219968.db2.gz ATUMJKDGBDDTAU-VIFPVBQESA-N -1 3 285.300 1.141 20 5 CDBDHM Cc1noc(C)c1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123216 343249042 /nfs/dbraw/zinc/24/90/42/343249042.db2.gz LSDHLHDDYLHEHH-UHFFFAOYSA-N -1 3 278.268 1.955 20 5 CDBDHM COC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596186887 343252195 /nfs/dbraw/zinc/25/21/95/343252195.db2.gz XOEACPMLGLVAEL-UHFFFAOYSA-N -1 3 267.285 1.701 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](CCO)CC2)c1[N+](=O)[O-] ZINC000596278487 343296332 /nfs/dbraw/zinc/29/63/32/343296332.db2.gz NOXXFUPPUQKVNL-SNVBAGLBSA-N -1 3 281.312 1.684 20 5 CDBDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000604480591 344894573 /nfs/dbraw/zinc/89/45/73/344894573.db2.gz HPCVMQQFYYFPDD-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000604480591 344894577 /nfs/dbraw/zinc/89/45/77/344894577.db2.gz HPCVMQQFYYFPDD-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc([N+](=O)[O-])c[nH]1 ZINC000604480591 344894580 /nfs/dbraw/zinc/89/45/80/344894580.db2.gz HPCVMQQFYYFPDD-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM CN(C)C(=O)Cn1ccc([N-]c2ccc([N+](=O)[O-])cn2)n1 ZINC000266001651 362697930 /nfs/dbraw/zinc/69/79/30/362697930.db2.gz KWGZDUBWSMCVAA-UHFFFAOYSA-N -1 3 290.283 1.018 20 5 CDBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000157974728 188349982 /nfs/dbraw/zinc/34/99/82/188349982.db2.gz CFOAGPMHOWQLPZ-QMMMGPOBSA-N -1 3 290.366 1.625 20 5 CDBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]O[C@H]1CCOC1 ZINC000493481479 356285129 /nfs/dbraw/zinc/28/51/29/356285129.db2.gz GFJAQEDAQSRBRQ-MORRKMRCSA-N -1 3 296.254 1.584 20 5 CDBDHM CCCN1CC(=O)N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000414191835 535348738 /nfs/dbraw/zinc/34/87/38/535348738.db2.gz VJJVWDHQADUQRP-ZDUSSCGKSA-N -1 3 295.295 1.149 20 5 CDBDHM CCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119283209 357358382 /nfs/dbraw/zinc/35/83/82/357358382.db2.gz QSXZWNKCSGRBRO-UHFFFAOYSA-N -1 3 272.326 1.900 20 5 CDBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OC[C@@H]1CCOC1 ZINC000187863949 357816308 /nfs/dbraw/zinc/81/63/08/357816308.db2.gz WSRKNZQFCASETK-MVIFTORASA-N -1 3 292.291 1.692 20 5 CDBDHM CCc1onc(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189540565 358023318 /nfs/dbraw/zinc/02/33/18/358023318.db2.gz XFMCUIUOMSUEEJ-UHFFFAOYSA-N -1 3 292.251 1.807 20 5 CDBDHM CCN1CCC[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166654312 360208143 /nfs/dbraw/zinc/20/81/43/360208143.db2.gz UVISFZOYLMDTES-VIFPVBQESA-N -1 3 294.311 1.584 20 5 CDBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386875805 367051605 /nfs/dbraw/zinc/05/16/05/367051605.db2.gz LKUPQIZGWIUGAT-IUCAKERBSA-N -1 3 288.325 1.033 20 5 CDBDHM CC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124220227 368209580 /nfs/dbraw/zinc/20/95/80/368209580.db2.gz PRSYPGOEXKPWDT-ZETCQYMHSA-N -1 3 294.354 1.014 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000299641282 375189186 /nfs/dbraw/zinc/18/91/86/375189186.db2.gz HYWOEUVPKPOPHS-GFCCVEGCSA-N -1 3 298.299 1.064 20 5 CDBDHM O=C([N-]c1ccncc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344747493 375418811 /nfs/dbraw/zinc/41/88/11/375418811.db2.gz MFCBWJPUHAWMIC-UHFFFAOYSA-N -1 3 279.202 1.942 20 5 CDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000427152462 247103593 /nfs/dbraw/zinc/10/35/93/247103593.db2.gz JWXGVYKKGNAPSY-UHFFFAOYSA-N -1 3 296.264 1.418 20 5 CDBDHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032473088 375955986 /nfs/dbraw/zinc/95/59/86/375955986.db2.gz WOONYAQKYBKTFB-BDAKNGLRSA-N -1 3 270.310 1.529 20 5 CDBDHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032473085 375956774 /nfs/dbraw/zinc/95/67/74/375956774.db2.gz WOONYAQKYBKTFB-DTWKUNHWSA-N -1 3 270.310 1.529 20 5 CDBDHM COCCCO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493776800 253552336 /nfs/dbraw/zinc/55/23/36/253552336.db2.gz KWDRLPNKTZSTDX-FPLPWBNLSA-N -1 3 280.280 1.692 20 5 CDBDHM COCCCO[N-]C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000287902745 196965159 /nfs/dbraw/zinc/96/51/59/196965159.db2.gz SHDPRFNVLPKZQY-UHFFFAOYSA-N -1 3 286.288 1.139 20 5 CDBDHM CC(C)[C@@H](N)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420185850 392901623 /nfs/dbraw/zinc/90/16/23/392901623.db2.gz AEXLTOCRWLCITM-NSHDSACASA-N -1 3 291.311 1.462 20 5 CDBDHM Cc1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000186857901 140070735 /nfs/dbraw/zinc/07/07/35/140070735.db2.gz FSVCCTWDHHVPTM-UHFFFAOYSA-N -1 3 281.253 1.108 20 5 CDBDHM O=C([N-]c1nnc(C(F)F)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000350115497 154330771 /nfs/dbraw/zinc/33/07/71/154330771.db2.gz AXPNTUUWQUECGC-UHFFFAOYSA-N -1 3 290.211 1.359 20 5 CDBDHM CN(Cc1ccccc1[N+](=O)[O-])c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354522289 156499067 /nfs/dbraw/zinc/49/90/67/156499067.db2.gz MECDPFMJTAQEQS-UHFFFAOYSA-N -1 3 299.294 1.262 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])cc1F ZINC000563304970 293338532 /nfs/dbraw/zinc/33/85/32/293338532.db2.gz VNPHSZJRFDONGZ-MRVPVSSYSA-N -1 3 281.247 1.053 20 5 CDBDHM CO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000563637518 316349050 /nfs/dbraw/zinc/34/90/50/316349050.db2.gz PKOGHOMMPKLVMW-AAEUAGOBSA-N -1 3 294.307 1.659 20 5 CDBDHM CCc1[n-][nH]c(=NC(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000340866367 523657529 /nfs/dbraw/zinc/65/75/29/523657529.db2.gz FWSOODWUIGNGOC-UHFFFAOYSA-N -1 3 280.309 1.924 20 5 CDBDHM CC(C)[C@@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735734170 575502868 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O=[N+]([O-])c1ccc(N2CC(C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC001609601742 1165002069 /nfs/dbraw/zinc/00/20/69/1165002069.db2.gz XTLUQYJHTPEVIB-UHFFFAOYSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC(C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC001609601742 1165002074 /nfs/dbraw/zinc/00/20/74/1165002074.db2.gz XTLUQYJHTPEVIB-UHFFFAOYSA-N -1 3 286.295 1.621 20 5 CDBDHM CC(C)CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589613694 1173161764 /nfs/dbraw/zinc/16/17/64/1173161764.db2.gz DKNHQLDTGPYVHR-UHFFFAOYSA-N -1 3 291.315 1.449 20 5 CDBDHM CC(C)CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589613694 1173161769 /nfs/dbraw/zinc/16/17/69/1173161769.db2.gz DKNHQLDTGPYVHR-UHFFFAOYSA-N -1 3 291.315 1.449 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590313695 1173351703 /nfs/dbraw/zinc/35/17/03/1173351703.db2.gz OUGQBDDMAUTXGA-JGVFFNPUSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590313695 1173351709 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C[C@H](CCCO)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603476279 1175555391 /nfs/dbraw/zinc/55/53/91/1175555391.db2.gz DMAPVIORMXMRPR-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM CC(C)OCCN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001603923353 1175686460 /nfs/dbraw/zinc/68/64/60/1175686460.db2.gz JGTSNYJEOUPBNT-AWEZNQCLSA-N -1 3 296.323 1.909 20 5 CDBDHM COC[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609316690 1164898680 /nfs/dbraw/zinc/89/86/80/1164898680.db2.gz KLKUKOUCJZAOQP-MRVPVSSYSA-N -1 3 292.299 1.469 20 5 CDBDHM COC[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609316690 1164898687 /nfs/dbraw/zinc/89/86/87/1164898687.db2.gz KLKUKOUCJZAOQP-MRVPVSSYSA-N -1 3 292.299 1.469 20 5 CDBDHM CC1(C)OCC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609819485 1165096890 /nfs/dbraw/zinc/09/68/90/1165096890.db2.gz HQMOWAAVLKQVOO-LBPRGKRZSA-N -1 3 294.307 1.950 20 5 CDBDHM O=[N+]([O-])c1ncccc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000775541400 837578899 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CDBDHM CC[C@H](C)[C@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123990 343248819 /nfs/dbraw/zinc/24/88/19/343248819.db2.gz QKXWQVDZADALRW-QPUJVOFHSA-N -1 3 269.301 1.904 20 5 CDBDHM O=c1[n-]ccc(N2CCOC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596241382 343284573 /nfs/dbraw/zinc/28/45/73/343284573.db2.gz RLVWVQOCTWSNDX-NSHDSACASA-N -1 3 293.323 1.948 20 5 CDBDHM CCN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596173340 343259640 /nfs/dbraw/zinc/25/96/40/343259640.db2.gz TULUCKKHWRSESI-VIFPVBQESA-N -1 3 266.301 1.226 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC2(CCC2)O1 ZINC000596290299 343289273 /nfs/dbraw/zinc/28/92/73/343289273.db2.gz AZNUAMXVHQLPGZ-SECBINFHSA-N -1 3 279.296 1.843 20 5 CDBDHM CC(C)OC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596197629 343262735 /nfs/dbraw/zinc/26/27/35/343262735.db2.gz SVBZKZNNCXFZOO-JTQLQIEISA-N -1 3 297.311 1.326 20 5 CDBDHM CSCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596220011 343270038 /nfs/dbraw/zinc/27/00/38/343270038.db2.gz JLCXHLNYQOYNAD-UHFFFAOYSA-N -1 3 257.315 1.885 20 5 CDBDHM C[C@H]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596266293 343279931 /nfs/dbraw/zinc/27/99/31/343279931.db2.gz PXTHSQRSMBHTME-YUMQZZPRSA-N -1 3 253.258 1.675 20 5 CDBDHM C[C@H]1CN(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596432263 343320079 /nfs/dbraw/zinc/32/00/79/343320079.db2.gz RRLWOKIKPGHCSS-UWVGGRQHSA-N -1 3 296.327 1.217 20 5 CDBDHM Cc1[nH]nc(C(=O)[N-]c2ncc(Cl)s2)c1[N+](=O)[O-] ZINC000610492614 346294004 /nfs/dbraw/zinc/29/40/04/346294004.db2.gz HZOMPNCZYPRFLR-UHFFFAOYSA-N -1 3 287.688 1.989 20 5 CDBDHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000092924879 351300908 /nfs/dbraw/zinc/30/09/08/351300908.db2.gz WHWAFTYJVLTYQR-CABZTGNLSA-N -1 3 264.281 1.890 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000566860064 358491384 /nfs/dbraw/zinc/49/13/84/358491384.db2.gz FORYIXVGIIIDOU-JOYOIKCWSA-N -1 3 294.307 1.898 20 5 CDBDHM CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187573557 357781623 /nfs/dbraw/zinc/78/16/23/357781623.db2.gz QBAPSZUWEIUEQM-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM COCCCON=C([O-])Nc1cc([N+](=O)[O-])ccc1OC ZINC000287152147 358111232 /nfs/dbraw/zinc/11/12/32/358111232.db2.gz ZWURRCATDPAINJ-UHFFFAOYSA-N -1 3 299.283 1.693 20 5 CDBDHM COCCCO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000287152147 358111235 /nfs/dbraw/zinc/11/12/35/358111235.db2.gz ZWURRCATDPAINJ-UHFFFAOYSA-N -1 3 299.283 1.693 20 5 CDBDHM COCCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337804629 358354089 /nfs/dbraw/zinc/35/40/89/358354089.db2.gz JZEUGYMJEOXPIJ-UHFFFAOYSA-N -1 3 288.325 1.218 20 5 CDBDHM C[C@H]1C[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1C ZINC000386459661 367009597 /nfs/dbraw/zinc/00/95/97/367009597.db2.gz IHLOMZVWQJTKOC-DTWKUNHWSA-N -1 3 294.311 1.583 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000129841251 369687139 /nfs/dbraw/zinc/68/71/39/369687139.db2.gz NIUSNIWITWWQIT-SSDOTTSWSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000129841251 369687141 /nfs/dbraw/zinc/68/71/41/369687141.db2.gz NIUSNIWITWWQIT-SSDOTTSWSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1O ZINC000193737667 372053347 /nfs/dbraw/zinc/05/33/47/372053347.db2.gz GDXLUWZLASMRDR-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM Cc1nn(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000277819695 374817049 /nfs/dbraw/zinc/81/70/49/374817049.db2.gz YCEDPHFCWWMQLD-UHFFFAOYSA-N -1 3 291.267 1.298 20 5 CDBDHM Cc1c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)nnn1C ZINC000282216163 375074154 /nfs/dbraw/zinc/07/41/54/375074154.db2.gz GYBNZJXQBBODAH-UHFFFAOYSA-N -1 3 293.258 1.732 20 5 CDBDHM CCS(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C ZINC000188594554 377040748 /nfs/dbraw/zinc/04/07/48/377040748.db2.gz RSKDDVSMXHIGJP-UHFFFAOYSA-N -1 3 258.299 1.973 20 5 CDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1[O-] ZINC000141792841 377675096 /nfs/dbraw/zinc/67/50/96/377675096.db2.gz GCSLEFXJHDXILY-UHFFFAOYSA-N -1 3 262.225 1.136 20 5 CDBDHM Cc1ccc(O)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000447633195 250399523 /nfs/dbraw/zinc/39/95/23/250399523.db2.gz WANKQZUKTDCUKI-UHFFFAOYSA-N -1 3 263.209 1.849 20 5 CDBDHM COc1cc(CNCC2=CCCOC2)c([N+](=O)[O-])cc1[O-] ZINC000288462813 197084834 /nfs/dbraw/zinc/08/48/34/197084834.db2.gz ODRPNCHHIYLGPS-UHFFFAOYSA-N -1 3 294.307 1.745 20 5 CDBDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000440371602 391337182 /nfs/dbraw/zinc/33/71/82/391337182.db2.gz BZCNVYZWMKPTLE-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM Cc1[nH]ncc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225799241 393198506 /nfs/dbraw/zinc/19/85/06/393198506.db2.gz GAOZGOVCMXOZNQ-UHFFFAOYSA-N -1 3 276.252 1.262 20 5 CDBDHM C[C@H]1CCN[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000235667997 140236372 /nfs/dbraw/zinc/23/63/72/140236372.db2.gz CJGBQOJKDQKKRA-KWQFWETISA-N -1 3 279.296 1.627 20 5 CDBDHM COc1ccc(CN[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000035389074 172171219 /nfs/dbraw/zinc/17/12/19/172171219.db2.gz FIFFIGGKODPEEB-ZETCQYMHSA-N -1 3 254.242 1.166 20 5 CDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000049051671 279167811 /nfs/dbraw/zinc/16/78/11/279167811.db2.gz IQLHXANOEGYASE-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM CCc1ccc([O-])c(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000129890801 279619739 /nfs/dbraw/zinc/61/97/39/279619739.db2.gz LXNCKCQCUJLQKV-UHFFFAOYSA-N -1 3 290.279 1.849 20 5 CDBDHM CN(C[C@@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000217315946 280088357 /nfs/dbraw/zinc/08/83/57/280088357.db2.gz SWOHFPRVWMJTJP-JTQLQIEISA-N -1 3 293.323 1.467 20 5 CDBDHM O=C([N-]c1cc(F)c(F)cc1F)c1c[nH]nc1[N+](=O)[O-] ZINC000548741405 289923711 /nfs/dbraw/zinc/92/37/11/289923711.db2.gz NFHIFUKPPNBCRO-UHFFFAOYSA-N -1 3 286.169 1.988 20 5 CDBDHM COc1ccc([O-])c(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000558765525 290424360 /nfs/dbraw/zinc/42/43/60/290424360.db2.gz ZBEIDJAXJTWLQR-UHFFFAOYSA-N -1 3 278.224 1.284 20 5 CDBDHM O=C(Cc1cncc([O-])c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000561170576 293057373 /nfs/dbraw/zinc/05/73/73/293057373.db2.gz JSDQRXFJPFIJOY-UHFFFAOYSA-N -1 3 287.275 1.554 20 5 CDBDHM Cc1ccnc(N2CCc3nc[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC000269660475 302274885 /nfs/dbraw/zinc/27/48/85/302274885.db2.gz CJRSYZRMJYTSJV-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN(C)C(C)(C)C(=O)[O-] ZINC000579967323 324331655 /nfs/dbraw/zinc/33/16/55/324331655.db2.gz CXGROGYTOWYHMK-UHFFFAOYSA-N -1 3 282.296 1.898 20 5 CDBDHM Cc1cc(O)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193606675 534013568 /nfs/dbraw/zinc/01/35/68/534013568.db2.gz JJDRDORDJLZQFW-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM C[C@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736235811 575598229 /nfs/dbraw/zinc/59/82/29/575598229.db2.gz GSVPKADFVAFLGZ-BQBZGAKWSA-N -1 3 275.272 1.238 20 5 CDBDHM C[C@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736235811 575598233 /nfs/dbraw/zinc/59/82/33/575598233.db2.gz GSVPKADFVAFLGZ-BQBZGAKWSA-N -1 3 275.272 1.238 20 5 CDBDHM O=[N+]([O-])c1cc(N2CCC[C@@H](F)C2)ccc1-c1nnn[n-]1 ZINC001609601055 1164999074 /nfs/dbraw/zinc/99/90/74/1164999074.db2.gz OXGKUAWKNLEVIP-MRVPVSSYSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](F)C1 ZINC001609602660 1165002025 /nfs/dbraw/zinc/00/20/25/1165002025.db2.gz BRIPVDABUZGXCW-MRVPVSSYSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](F)C1 ZINC001609602660 1165002031 /nfs/dbraw/zinc/00/20/31/1165002031.db2.gz BRIPVDABUZGXCW-MRVPVSSYSA-N -1 3 292.274 1.713 20 5 CDBDHM Cc1cc(F)c(-c2nnn[n-]2)c(-n2cc([N+](=O)[O-])cn2)c1 ZINC001591978002 1173764677 /nfs/dbraw/zinc/76/46/77/1173764677.db2.gz PKZVOMVVMCZJGK-UHFFFAOYSA-N -1 3 289.230 1.408 20 5 CDBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H](C)O ZINC001604064751 1175744129 /nfs/dbraw/zinc/74/41/29/1175744129.db2.gz RVXRLAJRDKVZPF-XVKPBYJWSA-N -1 3 292.299 1.346 20 5 CDBDHM COCCN(CCC(=O)[O-])Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000872159492 843482401 /nfs/dbraw/zinc/48/24/01/843482401.db2.gz IIQCXPMXYSBSPY-UHFFFAOYSA-N -1 3 296.323 1.826 20 5 CDBDHM C[C@@H](O)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580138 844997599 /nfs/dbraw/zinc/99/75/99/844997599.db2.gz XEGJWPYAOYNSQA-SSDOTTSWSA-N -1 3 290.222 1.063 20 5 CDBDHM Cc1nc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000112702731 845859568 /nfs/dbraw/zinc/85/95/68/845859568.db2.gz OAVWSTFQJOGLGI-UHFFFAOYSA-N -1 3 281.659 1.927 20 5 CDBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])NCC1CC1 ZINC000804598100 847180111 /nfs/dbraw/zinc/18/01/11/847180111.db2.gz JJDNKQRLJGHGQU-UHFFFAOYSA-N -1 3 294.267 1.441 20 5 CDBDHM CC(C)NC(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804331426 847281547 /nfs/dbraw/zinc/28/15/47/847281547.db2.gz PGCQNXWCOHJBGN-UHFFFAOYSA-N -1 3 282.256 1.440 20 5 CDBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])[N-]OC[C@H]1CCOC1 ZINC000845996439 847755561 /nfs/dbraw/zinc/75/55/61/847755561.db2.gz PRCMSJAIJRJGDE-VIFPVBQESA-N -1 3 298.270 1.361 20 5 CDBDHM C[C@](O)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001589147049 1167732457 /nfs/dbraw/zinc/73/24/57/1167732457.db2.gz OZSZBICJFAJJSZ-NSHDSACASA-N -1 3 288.687 1.173 20 5 CDBDHM C[C@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CCO1 ZINC001225663875 903628666 /nfs/dbraw/zinc/62/86/66/903628666.db2.gz HWLNHFJESAJXRY-YUMQZZPRSA-N -1 3 254.242 1.642 20 5 CDBDHM CO[C@@H](C)CO[C@@H](C)COc1nccc([O-])c1[N+](=O)[O-] ZINC001225664922 903633821 /nfs/dbraw/zinc/63/38/21/903633821.db2.gz ULQHEEYQTRZYHB-IUCAKERBSA-N -1 3 286.284 1.514 20 5 CDBDHM CCCCC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099978050 936828488 /nfs/dbraw/zinc/82/84/88/936828488.db2.gz WTZJWJKTFWTJHF-UHFFFAOYSA-N -1 3 296.327 1.438 20 5 CDBDHM COc1ncc([N+](=O)[O-])c(NCc2ncccc2[O-])n1 ZINC001169733981 928400867 /nfs/dbraw/zinc/40/08/67/928400867.db2.gz SFTBGNRETDPFJM-UHFFFAOYSA-N -1 3 277.240 1.106 20 5 CDBDHM C[C@@H](C[N+](C)(C)C)OCCCCP(=O)([O-])[O-] ZINC001225019265 941815336 /nfs/dbraw/zinc/81/53/36/941815336.db2.gz VJHQAKGXLJWOEG-JTQLQIEISA-O -1 3 254.287 1.056 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc(=O)[n-]n1 ZINC001227093103 942130454 /nfs/dbraw/zinc/13/04/54/942130454.db2.gz GIUDFQWCNDJASV-SSDOTTSWSA-N -1 3 279.256 1.063 20 5 CDBDHM CCOC(=O)[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742584 942215731 /nfs/dbraw/zinc/21/57/31/942215731.db2.gz BCVCTEMBYCPZCI-ZETCQYMHSA-N -1 3 279.252 1.802 20 5 CDBDHM CCOC(=O)[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742584 942215740 /nfs/dbraw/zinc/21/57/40/942215740.db2.gz BCVCTEMBYCPZCI-ZETCQYMHSA-N -1 3 279.252 1.802 20 5 CDBDHM Cc1cc2[n-]c(OC[C@@H]3CCO3)nc2cc1[N+](=O)[O-] ZINC001228675458 942354242 /nfs/dbraw/zinc/35/42/42/942354242.db2.gz QCKQVAKMWLQFOC-QMMMGPOBSA-N -1 3 263.253 1.947 20 5 CDBDHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC001589443572 954737087 /nfs/dbraw/zinc/73/70/87/954737087.db2.gz LHGJAJRMXUOHIJ-NSHDSACASA-N -1 3 282.296 1.898 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N2Cc3nc(C)[n-]c(=O)c3C2)n1 ZINC001307179931 956375784 /nfs/dbraw/zinc/37/57/84/956375784.db2.gz XTEDSRDSKUSFDD-UHFFFAOYSA-N -1 3 287.279 1.622 20 5 CDBDHM CN1CCC[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000312331780 963554053 /nfs/dbraw/zinc/55/40/53/963554053.db2.gz ULCBTQKPMZHDSZ-QMMMGPOBSA-N -1 3 280.284 1.194 20 5 CDBDHM COc1cc(CN[C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000592379615 342686989 /nfs/dbraw/zinc/68/69/89/342686989.db2.gz RMTOEKGZCAPTCT-SCZZXKLOSA-N -1 3 282.296 1.576 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)nc1 ZINC000594806167 342959378 /nfs/dbraw/zinc/95/93/78/342959378.db2.gz XZTYGYGHCZROQA-LDYMZIIASA-N -1 3 283.309 1.211 20 5 CDBDHM CCOC(=O)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596056138 343222028 /nfs/dbraw/zinc/22/20/28/343222028.db2.gz RKVSZZGNOIFFGP-SECBINFHSA-N -1 3 295.295 1.475 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596108680 343229351 /nfs/dbraw/zinc/22/93/51/343229351.db2.gz XOMKCXOHRPMPTN-SSDOTTSWSA-N -1 3 255.299 1.637 20 5 CDBDHM COC(=O)C[C@@H](C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596128831 343238260 /nfs/dbraw/zinc/23/82/60/343238260.db2.gz OERMYNDIIHZMCC-ZCFIWIBFSA-N -1 3 272.282 1.739 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000596209815 343267002 /nfs/dbraw/zinc/26/70/02/343267002.db2.gz RWCKEBLGMOMOPL-DTWKUNHWSA-N -1 3 267.285 1.658 20 5 CDBDHM COCc1nnc(Sc2ncc([N+](=O)[O-])cc2C)[n-]1 ZINC000271309811 191064600 /nfs/dbraw/zinc/06/46/00/191064600.db2.gz IKRNGJSQHVNOBW-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM COCc1nc(Sc2ncc([N+](=O)[O-])cc2C)n[n-]1 ZINC000271309811 191064602 /nfs/dbraw/zinc/06/46/02/191064602.db2.gz IKRNGJSQHVNOBW-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM O=C([O-])[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000164674840 363383124 /nfs/dbraw/zinc/38/31/24/363383124.db2.gz RXJVSTUTEMTEHO-LLVKDONJSA-N -1 3 294.307 1.770 20 5 CDBDHM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)C(=O)[O-] ZINC000567116805 358629216 /nfs/dbraw/zinc/62/92/16/358629216.db2.gz NBESPXMDUYTKKR-HTQZYQBOSA-N -1 3 292.295 1.670 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1NC([O-])=NOC(C)(C)CO ZINC000296951306 200044787 /nfs/dbraw/zinc/04/47/87/200044787.db2.gz REWBBDZTPUQXTG-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)[N-]OC(C)(C)CO ZINC000296951306 200044789 /nfs/dbraw/zinc/04/47/89/200044789.db2.gz REWBBDZTPUQXTG-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000296795705 359653411 /nfs/dbraw/zinc/65/34/11/359653411.db2.gz DTPWQGAWQAOCSF-UHFFFAOYSA-N -1 3 298.295 1.182 20 5 CDBDHM Cc1cc([N-]C(=O)[C@@H](C)n2cc([N+](=O)[O-])c(C)n2)on1 ZINC000272329722 367677946 /nfs/dbraw/zinc/67/79/46/367677946.db2.gz DFMPLOXMUDLHEZ-MRVPVSSYSA-N -1 3 279.256 1.596 20 5 CDBDHM CN(CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000272599355 367780245 /nfs/dbraw/zinc/78/02/45/367780245.db2.gz QRJIAZRRBNVKJP-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(O)cc1[O-] ZINC000193380987 370015304 /nfs/dbraw/zinc/01/53/04/370015304.db2.gz YMZSGPGUBXGIOW-UHFFFAOYSA-N -1 3 288.259 1.936 20 5 CDBDHM COc1ccc(C(=O)[N-]N2CCCCC2=O)cc1[N+](=O)[O-] ZINC000299593702 372671235 /nfs/dbraw/zinc/67/12/35/372671235.db2.gz KGCDLPIEHLAKQX-UHFFFAOYSA-N -1 3 293.279 1.261 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CCO)cc1[N+](=O)[O-] ZINC000124432894 374791905 /nfs/dbraw/zinc/79/19/05/374791905.db2.gz AVDTVOLIXLHHFA-ZCFIWIBFSA-N -1 3 294.354 1.014 20 5 CDBDHM CSCCO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000279932367 374976498 /nfs/dbraw/zinc/97/64/98/374976498.db2.gz HZRZLNUULBKLRS-UHFFFAOYSA-N -1 3 284.337 1.938 20 5 CDBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000354831410 375755999 /nfs/dbraw/zinc/75/59/99/375755999.db2.gz PDXJUPFBAJGDPQ-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000354831410 375756002 /nfs/dbraw/zinc/75/60/02/375756002.db2.gz PDXJUPFBAJGDPQ-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM NC(=O)[C@@H]([N-]c1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000129598422 378562331 /nfs/dbraw/zinc/56/23/31/378562331.db2.gz ACEBNRNSBFRYHG-JTQLQIEISA-N -1 3 291.242 1.162 20 5 CDBDHM CN(C)C/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492381063 253207245 /nfs/dbraw/zinc/20/72/45/253207245.db2.gz AXAJQGQJOXAETD-ARJAWSKDSA-N -1 3 265.269 1.357 20 5 CDBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OCC(F)F ZINC000492627427 253259880 /nfs/dbraw/zinc/25/98/80/253259880.db2.gz UXKUCJWVLZJEDZ-AATRIKPKSA-N -1 3 272.207 1.921 20 5 CDBDHM O=C(Nc1cnn(C(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000438644612 391054802 /nfs/dbraw/zinc/05/48/02/391054802.db2.gz CDNKWQVFSPFBCL-UHFFFAOYSA-N -1 3 299.193 1.539 20 5 CDBDHM NC1(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CCC1 ZINC000420231339 392910479 /nfs/dbraw/zinc/91/04/79/392910479.db2.gz RPYLGUMHTDNORU-UHFFFAOYSA-N -1 3 289.295 1.360 20 5 CDBDHM CC(=O)c1ccc(C(=O)[N-]c2c([N+](=O)[O-])cnn2C)o1 ZINC000362539144 159172678 /nfs/dbraw/zinc/17/26/78/159172678.db2.gz CVPPBRZNUNSRPS-UHFFFAOYSA-N -1 3 278.224 1.376 20 5 CDBDHM Cc1ccc(CN[C@@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC000284320842 196030045 /nfs/dbraw/zinc/03/00/45/196030045.db2.gz TVNRTMFBRXUAHY-ZDUSSCGKSA-N -1 3 296.348 1.953 20 5 CDBDHM Cc1ccc([N-]C(=O)c2cccc[n+]2[O-])cc1[N+](=O)[O-] ZINC000044943877 175282857 /nfs/dbraw/zinc/28/28/57/175282857.db2.gz YYCOGKKNFICBCT-UHFFFAOYSA-N -1 3 273.248 1.789 20 5 CDBDHM CC(C)(N)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420196700 277306368 /nfs/dbraw/zinc/30/63/68/277306368.db2.gz IWNLFOGBJPWTIV-UHFFFAOYSA-N -1 3 277.284 1.216 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccncc2)c(-c2nnn[n-]2)c1 ZINC000738374259 574522701 /nfs/dbraw/zinc/52/27/01/574522701.db2.gz LZEYDISLKTYXLY-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccncc2)c(-c2nn[n-]n2)c1 ZINC000738374259 574522703 /nfs/dbraw/zinc/52/27/03/574522703.db2.gz LZEYDISLKTYXLY-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000732215011 575083457 /nfs/dbraw/zinc/08/34/57/575083457.db2.gz XYZQMTHPHGXQEA-UHFFFAOYSA-N -1 3 283.265 1.394 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000738370382 576063490 /nfs/dbraw/zinc/06/34/90/576063490.db2.gz PLKHOHFITZSZDO-GZMMTYOYSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000738370382 576063491 /nfs/dbraw/zinc/06/34/91/576063491.db2.gz PLKHOHFITZSZDO-GZMMTYOYSA-N -1 3 286.295 1.764 20 5 CDBDHM COC[C@@H](C)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768818293 576310597 /nfs/dbraw/zinc/31/05/97/576310597.db2.gz YJAOAQLNZLQDAV-ZETCQYMHSA-N -1 3 294.354 1.217 20 5 CDBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc([N+](=O)[O-])cc1 ZINC000746835178 576791446 /nfs/dbraw/zinc/79/14/46/576791446.db2.gz LYMJWBZIUXLLTF-UHFFFAOYSA-N -1 3 291.215 1.611 20 5 CDBDHM C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] 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1.764 20 5 CDBDHM O=[N+]([O-])c1ccccc1Cn1cc(-c2nnn[n-]2)cn1 ZINC001609603626 1165000668 /nfs/dbraw/zinc/00/06/68/1165000668.db2.gz SCMQHZQWWIYHHP-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1ccccc1Cn1cc(-c2nn[n-]n2)cn1 ZINC001609603626 1165000670 /nfs/dbraw/zinc/00/06/70/1165000670.db2.gz SCMQHZQWWIYHHP-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1ccccc1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001609603475 1165002615 /nfs/dbraw/zinc/00/26/15/1165002615.db2.gz GNNGHWNWGIZLEJ-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ccccc1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001609603475 1165002620 /nfs/dbraw/zinc/00/26/20/1165002620.db2.gz GNNGHWNWGIZLEJ-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCOC1 ZINC001593480072 1174081147 /nfs/dbraw/zinc/08/11/47/1174081147.db2.gz DRJZYPUQEMHGBW-QMMMGPOBSA-N -1 3 290.283 1.223 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCOC1 ZINC001593480072 1174081156 /nfs/dbraw/zinc/08/11/56/1174081156.db2.gz DRJZYPUQEMHGBW-QMMMGPOBSA-N -1 3 290.283 1.223 20 5 CDBDHM O=C([O-])CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC001601991100 1175101983 /nfs/dbraw/zinc/10/19/83/1175101983.db2.gz YNIVYQUUPVDJRI-UHFFFAOYSA-N -1 3 265.269 1.213 20 5 CDBDHM CC(C)OCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603354284 1175546800 /nfs/dbraw/zinc/54/68/00/1175546800.db2.gz PATLOVYQOKNCFR-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM CC(C)OCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603354284 1175546804 /nfs/dbraw/zinc/54/68/04/1175546804.db2.gz PATLOVYQOKNCFR-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@H]1C ZINC001603939558 1175691651 /nfs/dbraw/zinc/69/16/51/1175691651.db2.gz MRVHDABVEDQOMV-RQJHMYQMSA-N -1 3 289.299 1.202 20 5 CDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@H]1C ZINC001603939558 1175691655 /nfs/dbraw/zinc/69/16/55/1175691655.db2.gz MRVHDABVEDQOMV-RQJHMYQMSA-N -1 3 289.299 1.202 20 5 CDBDHM O=[N+]([O-])c1cnc(Sc2ncco2)c(-c2nnn[n-]2)c1 ZINC001607085795 1164074457 /nfs/dbraw/zinc/07/44/57/1164074457.db2.gz PDPXTALCAOFQSM-UHFFFAOYSA-N -1 3 291.252 1.309 20 5 CDBDHM COC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609316691 1164898169 /nfs/dbraw/zinc/89/81/69/1164898169.db2.gz KLKUKOUCJZAOQP-QMMMGPOBSA-N -1 3 292.299 1.469 20 5 CDBDHM COC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609316691 1164898177 /nfs/dbraw/zinc/89/81/77/1164898177.db2.gz KLKUKOUCJZAOQP-QMMMGPOBSA-N -1 3 292.299 1.469 20 5 CDBDHM CCOC(=O)c1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])[n-]n1 ZINC000827887398 850243756 /nfs/dbraw/zinc/24/37/56/850243756.db2.gz JWPWOGCCRBOVMK-UHFFFAOYSA-N -1 3 298.299 1.360 20 5 CDBDHM CCOC(=O)c1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])n[n-]1 ZINC000827887398 850243769 /nfs/dbraw/zinc/24/37/69/850243769.db2.gz JWPWOGCCRBOVMK-UHFFFAOYSA-N -1 3 298.299 1.360 20 5 CDBDHM O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC1CCCCC1 ZINC000853402005 850295731 /nfs/dbraw/zinc/29/57/31/850295731.db2.gz KXVNYSYAWGZELL-UHFFFAOYSA-N -1 3 295.295 1.983 20 5 CDBDHM O=c1[n-]cncc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952247 895510685 /nfs/dbraw/zinc/51/06/85/895510685.db2.gz CNWVIYMECSFYGF-UHFFFAOYSA-N -1 3 250.189 1.973 20 5 CDBDHM CC(C)=CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093457540 909821927 /nfs/dbraw/zinc/82/19/27/909821927.db2.gz JWQNUPSEOOZPBP-UHFFFAOYSA-N -1 3 280.284 1.190 20 5 CDBDHM CNC(=O)c1nccnc1[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC001214169380 940804405 /nfs/dbraw/zinc/80/44/05/940804405.db2.gz JOWKHOYMOJOGBT-UHFFFAOYSA-N -1 3 287.279 1.796 20 5 CDBDHM COC(=O)[C@@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1(C)C ZINC001225663643 941896456 /nfs/dbraw/zinc/89/64/56/941896456.db2.gz DYTLXQHVRJRANE-CBAPKCEASA-N -1 3 296.279 1.662 20 5 CDBDHM CC[C@@H]1OC(=O)C(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])=C1C ZINC001228687536 942357312 /nfs/dbraw/zinc/35/73/12/942357312.db2.gz YHJLAJKGWCANMQ-QMMMGPOBSA-N -1 3 294.263 1.992 20 5 CDBDHM CC(C)O[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001324501053 953417084 /nfs/dbraw/zinc/41/70/84/953417084.db2.gz PKDPTSMJEFXLBX-UHFFFAOYSA-N -1 3 297.267 1.892 20 5 CDBDHM CC(C)(C(=O)[O-])[C@H](NCC[N+](=O)[O-])c1ccccc1 ZINC001589601873 987429516 /nfs/dbraw/zinc/42/95/16/987429516.db2.gz SHXKBTDUXNEBKR-LLVKDONJSA-N -1 3 266.297 1.705 20 5 CDBDHM COCCCOCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596184282 343251015 /nfs/dbraw/zinc/25/10/15/343251015.db2.gz FKXPKRGUUMXQBM-UHFFFAOYSA-N -1 3 285.300 1.185 20 5 CDBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000596233622 343262264 /nfs/dbraw/zinc/26/22/64/343262264.db2.gz YVVAWUAERJZFNA-ZLVALASMSA-N -1 3 299.352 1.431 20 5 CDBDHM CCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])COC1 ZINC000596257641 343276806 /nfs/dbraw/zinc/27/68/06/343276806.db2.gz LIWALKGLCBWCJV-UHFFFAOYSA-N -1 3 253.258 1.534 20 5 CDBDHM CCC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596257481 343276861 /nfs/dbraw/zinc/27/68/61/343276861.db2.gz LACGUEZPDHBHAB-MRVPVSSYSA-N -1 3 255.274 1.922 20 5 CDBDHM COC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC1CC1 ZINC000596293909 343290439 /nfs/dbraw/zinc/29/04/39/343290439.db2.gz SIWCZHLCTBOZHV-SECBINFHSA-N -1 3 295.295 1.697 20 5 CDBDHM CCc1coc([N-]C(=O)c2ccnc(NC)c2[N+](=O)[O-])n1 ZINC000516490121 363118449 /nfs/dbraw/zinc/11/84/49/363118449.db2.gz CGJACEZAEFHRBN-UHFFFAOYSA-N -1 3 291.267 1.256 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CCCCF)c([N+](=O)[O-])c1 ZINC000360260898 356926779 /nfs/dbraw/zinc/92/67/79/356926779.db2.gz JWPSUTKDEWHFRO-UHFFFAOYSA-N -1 3 290.316 1.931 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000339084910 359285211 /nfs/dbraw/zinc/28/52/11/359285211.db2.gz RXLXWTBYDKBION-BHYNMZESSA-N -1 3 278.308 1.503 20 5 CDBDHM O=C([O-])[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000164557409 237244026 /nfs/dbraw/zinc/24/40/26/237244026.db2.gz HNTMNQVHDGHNLL-LLVKDONJSA-N -1 3 294.307 1.770 20 5 CDBDHM CC[C@H](CNCc1cc(OC)c([O-])cc1[N+](=O)[O-])OC ZINC000289675860 359664570 /nfs/dbraw/zinc/66/45/70/359664570.db2.gz CCVHIASWARDNIS-SNVBAGLBSA-N -1 3 284.312 1.824 20 5 CDBDHM O=C([O-])[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178904318 189153814 /nfs/dbraw/zinc/15/38/14/189153814.db2.gz IZVVYYPISPQNBB-JTQLQIEISA-N -1 3 280.280 1.380 20 5 CDBDHM O=C([O-])CC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000424256905 374404909 /nfs/dbraw/zinc/40/49/09/374404909.db2.gz JSRSTYIFZLSTBY-LLVKDONJSA-N -1 3 296.327 1.511 20 5 CDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000442715854 249950863 /nfs/dbraw/zinc/95/08/63/249950863.db2.gz AZOYBNAFOKIDSN-VIFPVBQESA-N -1 3 288.325 1.216 20 5 CDBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]O[C@@H]1CCOC1 ZINC000492473705 253227308 /nfs/dbraw/zinc/22/73/08/253227308.db2.gz NQIVILQWJIYZJP-GCLPIYDQSA-N -1 3 278.264 1.445 20 5 CDBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187546596 140080383 /nfs/dbraw/zinc/08/03/83/140080383.db2.gz CVVDFTIETVZAFH-UHFFFAOYSA-N -1 3 273.248 1.972 20 5 CDBDHM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000285235749 196229336 /nfs/dbraw/zinc/22/93/36/196229336.db2.gz YGLVNVYTRHKFHT-UHFFFAOYSA-N -1 3 282.285 1.545 20 5 CDBDHM CCN(CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000038024825 174008488 /nfs/dbraw/zinc/00/84/88/174008488.db2.gz XDKYEAXQCMDVOT-UHFFFAOYSA-N -1 3 252.270 1.891 20 5 CDBDHM COc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000189338895 270276317 /nfs/dbraw/zinc/27/63/17/270276317.db2.gz DIWSEUCUDKLDRU-CHWSQXEVSA-N -1 3 296.323 1.558 20 5 CDBDHM COc1ccc([O-])c(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000154399979 289205941 /nfs/dbraw/zinc/20/59/41/289205941.db2.gz WXRXSMXRUFFPBC-UHFFFAOYSA-N -1 3 278.224 1.284 20 5 CDBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000263845411 293417456 /nfs/dbraw/zinc/41/74/56/293417456.db2.gz ZJEPYTMHWXRGNM-VIFPVBQESA-N -1 3 288.325 1.298 20 5 CDBDHM C[C@H](CC(=O)[O-])N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000568649504 294077806 /nfs/dbraw/zinc/07/78/06/294077806.db2.gz SQMMGYYEELMZGZ-SECBINFHSA-N -1 3 252.270 1.890 20 5 CDBDHM O=C([O-])[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC001601675632 1174941095 /nfs/dbraw/zinc/94/10/95/1174941095.db2.gz QRVAFWRDJLNCBD-NSHDSACASA-N -1 3 286.234 1.826 20 5 CDBDHM CN(Cc1cccnc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000903609084 626033568 /nfs/dbraw/zinc/03/35/68/626033568.db2.gz SVCVSSSTNZYJTC-UHFFFAOYSA-N -1 3 279.296 1.819 20 5 CDBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001609175189 1164816380 /nfs/dbraw/zinc/81/63/80/1164816380.db2.gz JLASJDPHIGCTGN-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001609175189 1164816387 /nfs/dbraw/zinc/81/63/87/1164816387.db2.gz JLASJDPHIGCTGN-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@H]1CC12CC2 ZINC001609602708 1165000488 /nfs/dbraw/zinc/00/04/88/1165000488.db2.gz FBDBWPZVAQNGOA-VIFPVBQESA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@H]1CC12CC2 ZINC001609602708 1165000493 /nfs/dbraw/zinc/00/04/93/1165000493.db2.gz FBDBWPZVAQNGOA-VIFPVBQESA-N -1 3 272.268 1.739 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590312604 1173349192 /nfs/dbraw/zinc/34/91/92/1173349192.db2.gz JISHUNMSEUIEAZ-JGVFFNPUSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590312604 1173349203 /nfs/dbraw/zinc/34/92/03/1173349203.db2.gz JISHUNMSEUIEAZ-JGVFFNPUSA-N -1 3 274.284 1.620 20 5 CDBDHM Cc1nn([C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001592429310 1173886876 /nfs/dbraw/zinc/88/68/76/1173886876.db2.gz HMXAQZGYLBIAAY-SECBINFHSA-N -1 3 299.294 1.889 20 5 CDBDHM Cc1nn([C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001592429310 1173886881 /nfs/dbraw/zinc/88/68/81/1173886881.db2.gz HMXAQZGYLBIAAY-SECBINFHSA-N -1 3 299.294 1.889 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccon1 ZINC001593482521 1174083425 /nfs/dbraw/zinc/08/34/25/1174083425.db2.gz DGKZXIZRVOYMKT-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccon1 ZINC001593482521 1174083431 /nfs/dbraw/zinc/08/34/31/1174083431.db2.gz DGKZXIZRVOYMKT-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[C@H](C)CO ZINC001603566780 1175565240 /nfs/dbraw/zinc/56/52/40/1175565240.db2.gz VSCPHDQFWQWJMQ-HTQZYQBOSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[C@H](C)CO ZINC001603566780 1175565247 /nfs/dbraw/zinc/56/52/47/1175565247.db2.gz VSCPHDQFWQWJMQ-HTQZYQBOSA-N -1 3 292.299 1.204 20 5 CDBDHM Cn1ncnc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000161766817 705622944 /nfs/dbraw/zinc/62/29/44/705622944.db2.gz NKAWBDINILAJOR-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000784172110 709861010 /nfs/dbraw/zinc/86/10/10/709861010.db2.gz UEGKQWDGLGYZIO-UHFFFAOYSA-N -1 3 272.264 1.653 20 5 CDBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])NC1CC1 ZINC000804331275 711482864 /nfs/dbraw/zinc/48/28/64/711482864.db2.gz MBRUEGSZQQUQNA-UHFFFAOYSA-N -1 3 280.240 1.194 20 5 CDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc2occc2[n-]1 ZINC000786029957 711667413 /nfs/dbraw/zinc/66/74/13/711667413.db2.gz SVHBUQNXESCAID-UHFFFAOYSA-N -1 3 290.235 1.723 20 5 CDBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC000801950036 711744647 /nfs/dbraw/zinc/74/46/47/711744647.db2.gz GBIAGDBOKBSFBL-UHFFFAOYSA-N -1 3 292.226 1.669 20 5 CDBDHM CC(C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609086410 1164761496 /nfs/dbraw/zinc/76/14/96/1164761496.db2.gz FFTAUKYTMDOVJS-UHFFFAOYSA-N -1 3 291.267 1.474 20 5 CDBDHM CC(C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609086410 1164761504 /nfs/dbraw/zinc/76/15/04/1164761504.db2.gz FFTAUKYTMDOVJS-UHFFFAOYSA-N -1 3 291.267 1.474 20 5 CDBDHM COc1ncc(Nc2cnc[n-]c2=O)cc1[N+](=O)[O-] ZINC001210136337 940666055 /nfs/dbraw/zinc/66/60/55/940666055.db2.gz JMIZINMEPNTXHE-UHFFFAOYSA-N -1 3 263.213 1.238 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@H]2CCn3ccnc32)c2[n-]cnc21 ZINC001227692844 942204673 /nfs/dbraw/zinc/20/46/73/942204673.db2.gz FTCZIEALMVYWJK-QMMMGPOBSA-N -1 3 286.251 1.586 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H]3OCCC[C@H]3C2)c1[N+](=O)[O-] ZINC001327687289 955001259 /nfs/dbraw/zinc/00/12/59/955001259.db2.gz GEGWLAURZSJRSP-ONGXEEELSA-N -1 3 279.296 1.701 20 5 CDBDHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cn(C)nc1[N+](=O)[O-] ZINC001594216399 959335747 /nfs/dbraw/zinc/33/57/47/959335747.db2.gz VETLWXYKTZENEL-PSASIEDQSA-N -1 3 282.300 1.156 20 5 CDBDHM CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001336224860 960259352 /nfs/dbraw/zinc/25/93/52/960259352.db2.gz RGEDAYOZMLMKEV-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC001593476412 1174081475 /nfs/dbraw/zinc/08/14/75/1174081475.db2.gz PHRGNIIXZXWEAE-UHFFFAOYSA-N -1 3 282.210 1.230 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC001593476412 1174081477 /nfs/dbraw/zinc/08/14/77/1174081477.db2.gz PHRGNIIXZXWEAE-UHFFFAOYSA-N -1 3 282.210 1.230 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCOCCF ZINC001593483524 1174084109 /nfs/dbraw/zinc/08/41/09/1174084109.db2.gz SVDJSLVIMRWPOM-UHFFFAOYSA-N -1 3 296.262 1.173 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCOCCF ZINC001593483524 1174084113 /nfs/dbraw/zinc/08/41/13/1174084113.db2.gz SVDJSLVIMRWPOM-UHFFFAOYSA-N -1 3 296.262 1.173 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000565300886 365623175 /nfs/dbraw/zinc/62/31/75/365623175.db2.gz BAGVEBICSYKHJV-YGRLFVJLSA-N -1 3 278.308 1.911 20 5 CDBDHM CN(Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279063 343022186 /nfs/dbraw/zinc/02/21/86/343022186.db2.gz DVBCWYIXSSXBBZ-PHIMTYICSA-N -1 3 264.281 1.890 20 5 CDBDHM O=c1[n-]ccc(NCCOCC(F)(F)F)c1[N+](=O)[O-] ZINC000596070689 343225255 /nfs/dbraw/zinc/22/52/55/343225255.db2.gz IFZLXBRSRWVYDN-UHFFFAOYSA-N -1 3 281.190 1.686 20 5 CDBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cn1cccn1 ZINC000596077203 343226867 /nfs/dbraw/zinc/22/68/67/343226867.db2.gz MWIJBIAYMHDEIV-VIFPVBQESA-N -1 3 277.284 1.640 20 5 CDBDHM C[C@H](Cn1cccn1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596078259 343227279 /nfs/dbraw/zinc/22/72/79/343227279.db2.gz UPUMNKQIIYKFKB-MRVPVSSYSA-N -1 3 263.257 1.393 20 5 CDBDHM CO[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596154420 343246802 /nfs/dbraw/zinc/24/68/02/343246802.db2.gz JLWYDNBFTOIIAU-IUCAKERBSA-N -1 3 267.285 1.921 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000596183778 343251022 /nfs/dbraw/zinc/25/10/22/343251022.db2.gz BHUVYPPCRPCOPN-MRVPVSSYSA-N -1 3 253.258 1.676 20 5 CDBDHM CN(C[C@@H]1CCCC[C@@H]1O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596188294 343252424 /nfs/dbraw/zinc/25/24/24/343252424.db2.gz VNTIOFPTSQECNT-ONGXEEELSA-N -1 3 281.312 1.683 20 5 CDBDHM O=[N+]([O-])c1cnc([N-]c2cnn(CCF)c2)s1 ZINC000599142326 343960198 /nfs/dbraw/zinc/96/01/98/343960198.db2.gz USSLLAXDAGXSEJ-UHFFFAOYSA-N -1 3 257.250 1.961 20 5 CDBDHM O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000057553133 358830318 /nfs/dbraw/zinc/83/03/18/358830318.db2.gz KESNMUYVMLYNFQ-SNVBAGLBSA-N -1 3 291.307 1.267 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)cc1 ZINC000339126112 359296730 /nfs/dbraw/zinc/29/67/30/359296730.db2.gz FPUFWSJVRYFDLY-MNOVXSKESA-N -1 3 288.300 1.764 20 5 CDBDHM CC[C@@H](CNCc1cc(OC)c([O-])cc1[N+](=O)[O-])OC ZINC000289675848 359664780 /nfs/dbraw/zinc/66/47/80/359664780.db2.gz CCVHIASWARDNIS-JTQLQIEISA-N -1 3 284.312 1.824 20 5 CDBDHM CCn1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC000297782541 200279459 /nfs/dbraw/zinc/27/94/59/200279459.db2.gz KDJKIKJCKZWLTA-UHFFFAOYSA-N -1 3 293.258 1.906 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000582127094 364070286 /nfs/dbraw/zinc/07/02/86/364070286.db2.gz IDURTOPYFTXBCR-BDAKNGLRSA-N -1 3 282.296 1.802 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1Sc1nnc(CO)[n-]1 ZINC000170606521 364251367 /nfs/dbraw/zinc/25/13/67/364251367.db2.gz DBCWXTTYMTVDOS-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1Sc1n[n-]c(CO)n1 ZINC000170606521 364251370 /nfs/dbraw/zinc/25/13/70/364251370.db2.gz DBCWXTTYMTVDOS-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM CCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033796 377743757 /nfs/dbraw/zinc/74/37/57/377743757.db2.gz LVDFWXDLVALHMC-UHFFFAOYSA-N -1 3 272.326 1.982 20 5 CDBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1 ZINC000183459512 391224311 /nfs/dbraw/zinc/22/43/11/391224311.db2.gz DFMOUVCLJQIZFL-UHFFFAOYSA-N -1 3 274.236 1.530 20 5 CDBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n(C)n1 ZINC000183705043 391304811 /nfs/dbraw/zinc/30/48/11/391304811.db2.gz XJUKTJMUBXIJHU-UHFFFAOYSA-N -1 3 267.270 1.346 20 5 CDBDHM O=C(Nc1nc2ccccc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186733762 140068002 /nfs/dbraw/zinc/06/80/02/140068002.db2.gz MPTFHGJHIMOXEA-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM O=C([N-]c1nc2c(s1)COCC2)c1ccc([N+](=O)[O-])o1 ZINC000075442698 397955458 /nfs/dbraw/zinc/95/54/58/397955458.db2.gz CYGNIQUIKISRCA-UHFFFAOYSA-N -1 3 295.276 1.969 20 5 CDBDHM CO[C@H](C)CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591323064 1173610355 /nfs/dbraw/zinc/61/03/55/1173610355.db2.gz MAJJQSWNKOTZIU-MRVPVSSYSA-N -1 3 292.299 1.246 20 5 CDBDHM CO[C@H](C)CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591323064 1173610358 /nfs/dbraw/zinc/61/03/58/1173610358.db2.gz MAJJQSWNKOTZIU-MRVPVSSYSA-N -1 3 292.299 1.246 20 5 CDBDHM CN(Cc1ccccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000061173402 523391754 /nfs/dbraw/zinc/39/17/54/523391754.db2.gz BINRHJOSWZBDGM-UHFFFAOYSA-N -1 3 252.270 1.890 20 5 CDBDHM CN1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269105689 536343814 /nfs/dbraw/zinc/34/38/14/536343814.db2.gz BITLAUQQMLXAQP-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1ccncc1F ZINC000427368961 536886064 /nfs/dbraw/zinc/88/60/64/536886064.db2.gz ZGFAVGGDFZIFQP-UHFFFAOYSA-N -1 3 291.238 1.812 20 5 CDBDHM O=C([N-]OCC(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000759349132 574922126 /nfs/dbraw/zinc/92/21/26/574922126.db2.gz IQQQDIZGTYFHPW-UHFFFAOYSA-N -1 3 264.159 1.660 20 5 CDBDHM O=C([N-]N1CCCC1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000762644224 576660182 /nfs/dbraw/zinc/66/01/82/576660182.db2.gz DOOZMTGJQPQVGI-UHFFFAOYSA-N -1 3 283.671 1.515 20 5 CDBDHM O=C([N-]C1=NCCS1)c1cc(F)ccc1[N+](=O)[O-] ZINC000745493189 576732183 /nfs/dbraw/zinc/73/21/83/576732183.db2.gz OXRRPBSTUIBZLI-UHFFFAOYSA-N -1 3 269.257 1.567 20 5 CDBDHM Cc1c(CC(=O)[N-]OC2CCOCC2)cccc1[N+](=O)[O-] ZINC000772713550 575741632 /nfs/dbraw/zinc/74/16/32/575741632.db2.gz ZOVJFSCBUFYOSH-UHFFFAOYSA-N -1 3 294.307 1.673 20 5 CDBDHM CC(C)[C@@H](CN(C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755320164 576940143 /nfs/dbraw/zinc/94/01/43/576940143.db2.gz XKVZLCXJXZCVRW-LLVKDONJSA-N -1 3 295.339 1.616 20 5 CDBDHM CCOCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821378749 599381016 /nfs/dbraw/zinc/38/10/16/599381016.db2.gz SZUIKQIFYXYZHQ-UHFFFAOYSA-N -1 3 293.287 1.008 20 5 CDBDHM CCOCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821378749 599381017 /nfs/dbraw/zinc/38/10/17/599381017.db2.gz SZUIKQIFYXYZHQ-UHFFFAOYSA-N -1 3 293.287 1.008 20 5 CDBDHM COc1ccc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000111255050 601540599 /nfs/dbraw/zinc/54/05/99/601540599.db2.gz WIXTXSYJOZJHMG-ONGXEEELSA-N -1 3 294.307 1.756 20 5 CDBDHM CO[N-]C(=O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896927687 620312881 /nfs/dbraw/zinc/31/28/81/620312881.db2.gz ULVJMSACXDCRFU-UHFFFAOYSA-N -1 3 273.676 1.015 20 5 CDBDHM CCN(CCOC)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604318552 1163148258 /nfs/dbraw/zinc/14/82/58/1163148258.db2.gz ATKADTHNIBOYLG-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]2C(F)F)c(-c2nnn[n-]2)c1 ZINC001607082499 1164071699 /nfs/dbraw/zinc/07/16/99/1164071699.db2.gz YDPANRBURABHOO-SECBINFHSA-N -1 3 296.237 1.619 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]2C(F)F)c(-c2nn[n-]n2)c1 ZINC001607082499 1164071705 /nfs/dbraw/zinc/07/17/05/1164071705.db2.gz YDPANRBURABHOO-SECBINFHSA-N -1 3 296.237 1.619 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccncc1 ZINC001609600440 1164998168 /nfs/dbraw/zinc/99/81/68/1164998168.db2.gz JUHUMZUJOWGZRG-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccncc1 ZINC001609600440 1164998173 /nfs/dbraw/zinc/99/81/73/1164998173.db2.gz JUHUMZUJOWGZRG-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cccnc1 ZINC001582803789 1172692565 /nfs/dbraw/zinc/69/25/65/1172692565.db2.gz VAADMMOYMFGCSL-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cccnc1 ZINC001582803789 1172692571 /nfs/dbraw/zinc/69/25/71/1172692571.db2.gz VAADMMOYMFGCSL-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@H](O)C(C)(C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589993240 1173225407 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O=C([O-])[C@H](CF)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC001601650725 1174930712 /nfs/dbraw/zinc/93/07/12/1174930712.db2.gz QTKHHJGGTSVODD-ATPLWMGHSA-N -1 3 268.244 1.620 20 5 CDBDHM O=C([O-])C[C@@]1(NCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC001601936389 1175075074 /nfs/dbraw/zinc/07/50/74/1175075074.db2.gz YAEIIKHUMKFEOW-ZDUSSCGKSA-N -1 3 280.280 1.318 20 5 CDBDHM C=C/C=C/CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602808096 1175410744 /nfs/dbraw/zinc/41/07/44/1175410744.db2.gz XROFFWZSZMWFEE-ONEGZZNKSA-N -1 3 287.283 1.714 20 5 CDBDHM C=C/C=C/CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602808096 1175410746 /nfs/dbraw/zinc/41/07/46/1175410746.db2.gz XROFFWZSZMWFEE-ONEGZZNKSA-N -1 3 287.283 1.714 20 5 CDBDHM CC1=CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603828887 1175647408 /nfs/dbraw/zinc/64/74/08/1175647408.db2.gz VORQLVYDHUPJBX-UHFFFAOYSA-N -1 3 287.283 1.326 20 5 CDBDHM CC1=CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603828887 1175647412 /nfs/dbraw/zinc/64/74/12/1175647412.db2.gz 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ZINC001176360834 914084574 /nfs/dbraw/zinc/08/45/74/914084574.db2.gz ZBTNFNXRNOPKEO-UHFFFAOYSA-N -1 3 293.239 1.130 20 5 CDBDHM CCC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106649911 914097460 /nfs/dbraw/zinc/09/74/60/914097460.db2.gz NCISJZKMDZFLNO-UHFFFAOYSA-N -1 3 282.300 1.366 20 5 CDBDHM C/C=C(/C)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094379383 910587308 /nfs/dbraw/zinc/58/73/08/910587308.db2.gz VVJADCOPGKJWNI-OQFOIZHKSA-N -1 3 294.311 1.580 20 5 CDBDHM O=C(NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001107005391 917741371 /nfs/dbraw/zinc/74/13/71/917741371.db2.gz TVWVMBSVYBQCFR-UPHRSURJSA-N -1 3 292.295 1.190 20 5 CDBDHM NC(=O)c1cnoc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818471 925854328 /nfs/dbraw/zinc/85/43/28/925854328.db2.gz BASNLCBQCDVGCJ-UHFFFAOYSA-N -1 3 264.197 1.131 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncc(CO)c2)c1 ZINC001199818968 925854578 /nfs/dbraw/zinc/85/45/78/925854578.db2.gz IWNPDWAYXXMOJH-UHFFFAOYSA-N -1 3 261.237 1.931 20 5 CDBDHM CCNC(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804329700 928170657 /nfs/dbraw/zinc/17/06/57/928170657.db2.gz UPDZTPDEWNLWGO-UHFFFAOYSA-N -1 3 268.229 1.051 20 5 CDBDHM CC(C)C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109384477 928909023 /nfs/dbraw/zinc/90/90/23/928909023.db2.gz WPRFHPPMZRMLAD-UHFFFAOYSA-N -1 3 296.327 1.612 20 5 CDBDHM COCCO[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000826665281 931380844 /nfs/dbraw/zinc/38/08/44/931380844.db2.gz PCNLNFSWIKZEHO-UHFFFAOYSA-N -1 3 296.279 1.252 20 5 CDBDHM O=C(Nc1cnc2ccccn21)c1cc([N+](=O)[O-])cnc1[O-] ZINC001161619027 938915522 /nfs/dbraw/zinc/91/55/22/938915522.db2.gz NGMNMXQTHKLXTR-UHFFFAOYSA-N -1 3 299.246 1.595 20 5 CDBDHM O=C(Nc1cnc2ccccn21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161619027 938915523 /nfs/dbraw/zinc/91/55/23/938915523.db2.gz NGMNMXQTHKLXTR-UHFFFAOYSA-N -1 3 299.246 1.595 20 5 CDBDHM Cc1ncc(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)c(=O)[n-]1 ZINC001162300700 938974865 /nfs/dbraw/zinc/97/48/65/938974865.db2.gz KWTADJHDSDYBPA-MRVPVSSYSA-N -1 3 286.251 1.281 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001164373960 939467474 /nfs/dbraw/zinc/46/74/74/939467474.db2.gz FWIKTGJJAYPSFZ-VIFPVBQESA-N -1 3 277.284 1.222 20 5 CDBDHM C[C@H]1OCC[C@H]1COc1nccc([O-])c1[N+](=O)[O-] ZINC001225659917 941894936 /nfs/dbraw/zinc/89/49/36/941894936.db2.gz AAMWBFXNPSHSHD-SFYZADRCSA-N -1 3 254.242 1.499 20 5 CDBDHM CCOC(=O)[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692563 942204529 /nfs/dbraw/zinc/20/45/29/942204529.db2.gz ZSSXNIUXZJUVSV-QMMMGPOBSA-N -1 3 294.267 1.587 20 5 CDBDHM CCOC(=O)[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688107 942359234 /nfs/dbraw/zinc/35/92/34/942359234.db2.gz DTCVVUXREJKOKW-QMMMGPOBSA-N -1 3 284.268 1.724 20 5 CDBDHM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cnn[n-]1 ZINC001306862382 956345153 /nfs/dbraw/zinc/34/51/53/956345153.db2.gz JENPJVADOLESJH-UHFFFAOYSA-N -1 3 284.235 1.513 20 5 CDBDHM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1c[n-]nn1 ZINC001306862382 956345165 /nfs/dbraw/zinc/34/51/65/956345165.db2.gz JENPJVADOLESJH-UHFFFAOYSA-N -1 3 284.235 1.513 20 5 CDBDHM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cn[n-]n1 ZINC001306862382 956345176 /nfs/dbraw/zinc/34/51/76/956345176.db2.gz JENPJVADOLESJH-UHFFFAOYSA-N -1 3 284.235 1.513 20 5 CDBDHM C[C@H](O)CSc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001605442448 1163565034 /nfs/dbraw/zinc/56/50/34/1163565034.db2.gz RQJOOYKZQLXKJQ-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@H](O)CSc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001605442448 1163565039 /nfs/dbraw/zinc/56/50/39/1163565039.db2.gz RQJOOYKZQLXKJQ-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM CC(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070250633 361870157 /nfs/dbraw/zinc/87/01/57/361870157.db2.gz YMBWSVAVRWPUQQ-UHFFFAOYSA-N -1 3 278.717 1.935 20 5 CDBDHM CC(C)(C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000592980420 342754859 /nfs/dbraw/zinc/75/48/59/342754859.db2.gz DTBAOTHANIGSQK-UHFFFAOYSA-N -1 3 299.352 1.642 20 5 CDBDHM CC[C@@H](NC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000595950958 343194610 /nfs/dbraw/zinc/19/46/10/343194610.db2.gz HKROGUVYGSQWNC-MRVPVSSYSA-N -1 3 253.258 1.237 20 5 CDBDHM CC(C)OCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596136300 343239994 /nfs/dbraw/zinc/23/99/94/343239994.db2.gz RUUBEWGYESYDDM-UHFFFAOYSA-N -1 3 269.301 1.947 20 5 CDBDHM CC(C)[C@@H](CO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596232591 343262036 /nfs/dbraw/zinc/26/20/36/343262036.db2.gz WKVMXDPCMZTJJY-MRVPVSSYSA-N -1 3 255.274 1.372 20 5 CDBDHM CC[C@]1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596204463 343264965 /nfs/dbraw/zinc/26/49/65/343264965.db2.gz WNEWGVHGDRGBBH-GFCCVEGCSA-N -1 3 267.285 1.701 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H](O)C2CCC2)c1[N+](=O)[O-] ZINC000596261622 343278223 /nfs/dbraw/zinc/27/82/23/343278223.db2.gz GPELXZHTSNXNDY-SECBINFHSA-N -1 3 253.258 1.268 20 5 CDBDHM CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000436984590 362247106 /nfs/dbraw/zinc/24/71/06/362247106.db2.gz CKFMTPQSNCRYTH-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM CN(C)CC(C)(C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000453624407 252329683 /nfs/dbraw/zinc/32/96/83/252329683.db2.gz QMKIWLPPERJPBI-UHFFFAOYSA-N -1 3 267.329 1.730 20 5 CDBDHM O=C(Nc1cc[nH]n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000068936144 304000454 /nfs/dbraw/zinc/00/04/54/304000454.db2.gz LMFMYEAYUJWWAA-UHFFFAOYSA-N -1 3 272.224 1.447 20 5 CDBDHM Cc1cc([N-]C(=O)[C@@H](C)Oc2cccnc2[N+](=O)[O-])on1 ZINC000014131965 348519749 /nfs/dbraw/zinc/51/97/49/348519749.db2.gz NWMGBRGDWVQVPB-MRVPVSSYSA-N -1 3 292.251 1.692 20 5 CDBDHM O=C([O-])[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062134255 363014000 /nfs/dbraw/zinc/01/40/00/363014000.db2.gz GZEIATKOZFBZFN-SNVBAGLBSA-N -1 3 250.254 1.501 20 5 CDBDHM Cn1cnc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000355298027 366051461 /nfs/dbraw/zinc/05/14/61/366051461.db2.gz VEFYZSYXTNDFJL-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM COCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046033769 357133679 /nfs/dbraw/zinc/13/36/79/357133679.db2.gz HUOBSJWCGCULFP-UHFFFAOYSA-N -1 3 288.325 1.218 20 5 CDBDHM CCCc1nc(C(=O)[N-]c2c([N+](=O)[O-])cnn2C)co1 ZINC000282783055 357474392 /nfs/dbraw/zinc/47/43/92/357474392.db2.gz PKTYWWSQUBWNJH-UHFFFAOYSA-N -1 3 279.256 1.521 20 5 CDBDHM C[C@H]1CCN(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000541729900 358755662 /nfs/dbraw/zinc/75/56/62/358755662.db2.gz PQRYYLHLACWMMX-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM Cn1nccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000120045143 359072766 /nfs/dbraw/zinc/07/27/66/359072766.db2.gz YNFUUJVUPWVQGX-UHFFFAOYSA-N -1 3 286.251 1.457 20 5 CDBDHM CC(C)c1n[nH]c(C(=O)[N-]OCC2CC2)c1[N+](=O)[O-] ZINC000293734201 364056972 /nfs/dbraw/zinc/05/69/72/364056972.db2.gz IAURYJCVXHIZGD-UHFFFAOYSA-N -1 3 268.273 1.513 20 5 CDBDHM Cc1nc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])nn1C ZINC000293771362 366900890 /nfs/dbraw/zinc/90/08/90/366900890.db2.gz VGQLZJGLGCDJJT-UHFFFAOYSA-N -1 3 275.268 1.592 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ccc(Cl)o1 ZINC000184412808 373049149 /nfs/dbraw/zinc/04/91/49/373049149.db2.gz HTHCCIWRLNKJSM-UHFFFAOYSA-N -1 3 270.632 1.827 20 5 CDBDHM O=C(Nc1cn[nH]c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000073760361 374263496 /nfs/dbraw/zinc/26/34/96/374263496.db2.gz QLEWXQKDJRKOCD-UHFFFAOYSA-N -1 3 272.224 1.447 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000124432676 375236510 /nfs/dbraw/zinc/23/65/10/375236510.db2.gz AVDTVOLIXLHHFA-LURJTMIESA-N -1 3 294.354 1.014 20 5 CDBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OC1CCOCC1 ZINC000492656594 253265340 /nfs/dbraw/zinc/26/53/40/253265340.db2.gz YIHPVOFIIHQHIZ-UTCJRWHESA-N -1 3 292.291 1.835 20 5 CDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000451074681 390592992 /nfs/dbraw/zinc/59/29/92/390592992.db2.gz XTXUOOYZAQWCLE-SSDOTTSWSA-N -1 3 294.279 1.917 20 5 CDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OC[C@@H]1CCOC1 ZINC000191793334 130303487 /nfs/dbraw/zinc/30/34/87/130303487.db2.gz CVLSLQHJNDARMK-GFCCVEGCSA-N -1 3 294.307 1.612 20 5 CDBDHM COCc1nnc(Sc2ccc([N+](=O)[O-])c(C)n2)[n-]1 ZINC000268510974 132019906 /nfs/dbraw/zinc/01/99/06/132019906.db2.gz WPNWZYDHVQGVPW-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM COCc1nc(Sc2ccc([N+](=O)[O-])c(C)n2)n[n-]1 ZINC000268510974 132019907 /nfs/dbraw/zinc/01/99/07/132019907.db2.gz WPNWZYDHVQGVPW-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM CC(C)CCn1ccc([N-]c2c([N+](=O)[O-])ncn2C)n1 ZINC000355576942 157125684 /nfs/dbraw/zinc/12/56/84/157125684.db2.gz PVUCFCNTWYSMQL-UHFFFAOYSA-N -1 3 278.316 1.736 20 5 CDBDHM CC(=O)CSCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588796778 1173109345 /nfs/dbraw/zinc/10/93/45/1173109345.db2.gz GNWYWETYQQPZCT-UHFFFAOYSA-N -1 3 293.308 1.597 20 5 CDBDHM CC(=O)CSCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588796778 1173109350 /nfs/dbraw/zinc/10/93/50/1173109350.db2.gz GNWYWETYQQPZCT-UHFFFAOYSA-N -1 3 293.308 1.597 20 5 CDBDHM CC(C)(F)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589312137 1173137685 /nfs/dbraw/zinc/13/76/85/1173137685.db2.gz ABTSGPPVUMFMFA-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM CC(C)(F)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589312137 1173137687 /nfs/dbraw/zinc/13/76/87/1173137687.db2.gz ABTSGPPVUMFMFA-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NCCN2CCCC2)c1 ZINC000211858513 260384756 /nfs/dbraw/zinc/38/47/56/260384756.db2.gz XOIIGSYZVYEMIL-UHFFFAOYSA-N -1 3 279.296 1.801 20 5 CDBDHM O=[N+]([O-])c1cnn(CCNCc2cc([O-])cc(F)c2)c1 ZINC000185583842 270257748 /nfs/dbraw/zinc/25/77/48/270257748.db2.gz SBHMEDXFVKMRAY-UHFFFAOYSA-N -1 3 280.259 1.426 20 5 CDBDHM O=C(NCCN1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000236565971 280128928 /nfs/dbraw/zinc/12/89/28/280128928.db2.gz VUMQSJAPYAFNTN-UHFFFAOYSA-N -1 3 279.296 1.126 20 5 CDBDHM COc1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)ncn1 ZINC000157677045 289291935 /nfs/dbraw/zinc/29/19/35/289291935.db2.gz UWVXUJNGTPTFAN-UHFFFAOYSA-N -1 3 280.265 1.707 20 5 CDBDHM CN(C(=O)c1cc([N+](=O)[O-])n[n-]1)c1nccs1 ZINC000552169606 290056131 /nfs/dbraw/zinc/05/61/31/290056131.db2.gz QXEWFABKANPHRZ-UHFFFAOYSA-N -1 3 253.243 1.051 20 5 CDBDHM Cc1cccc(N2CCc3nc[n-]c(=O)c3C2)c1[N+](=O)[O-] ZINC000275394233 301999150 /nfs/dbraw/zinc/99/91/50/301999150.db2.gz CUXDIZIWQRXNGU-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM CO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000563637803 316349153 /nfs/dbraw/zinc/34/91/53/316349153.db2.gz PKOGHOMMPKLVMW-DGCLKSJQSA-N -1 3 294.307 1.659 20 5 CDBDHM CC[C@H](C)CN(C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736322211 575622279 /nfs/dbraw/zinc/62/22/79/575622279.db2.gz JCGYMZWOVSQDQM-QMMMGPOBSA-N -1 3 291.315 1.652 20 5 CDBDHM CC[C@H](C)CN(C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736322211 575622280 /nfs/dbraw/zinc/62/22/80/575622280.db2.gz JCGYMZWOVSQDQM-QMMMGPOBSA-N -1 3 291.315 1.652 20 5 CDBDHM O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N-]c1ccn(CCO)n1 ZINC000804442995 1162478077 /nfs/dbraw/zinc/47/80/77/1162478077.db2.gz UBQYIDJZNUGMOB-UHFFFAOYSA-N -1 3 293.239 1.435 20 5 CDBDHM CCC1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590519641 1173447738 /nfs/dbraw/zinc/44/77/38/1173447738.db2.gz BOZUVBLFPFFMMF-UHFFFAOYSA-N -1 3 288.311 1.930 20 5 CDBDHM CCC1CN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590519641 1173447742 /nfs/dbraw/zinc/44/77/42/1173447742.db2.gz BOZUVBLFPFFMMF-UHFFFAOYSA-N -1 3 288.311 1.930 20 5 CDBDHM Cc1cc(N2C[C@H](C)[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591998979 1173767424 /nfs/dbraw/zinc/76/74/24/1173767424.db2.gz LPVXGOBQZFQWHR-DTWKUNHWSA-N -1 3 288.311 1.928 20 5 CDBDHM Cc1cc(N2C[C@H](C)[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591998979 1173767429 /nfs/dbraw/zinc/76/74/29/1173767429.db2.gz LPVXGOBQZFQWHR-DTWKUNHWSA-N -1 3 288.311 1.928 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CC=CCC1 ZINC001593468067 1174078979 /nfs/dbraw/zinc/07/89/79/1174078979.db2.gz YQOUKORDWOSDFJ-UHFFFAOYSA-N -1 3 286.295 1.537 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2cnccn2)c(-c2nnn[n-]2)c1 ZINC001593478407 1174081875 /nfs/dbraw/zinc/08/18/75/1174081875.db2.gz FQDQIHUTCQBEDI-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2cnccn2)c(-c2nn[n-]n2)c1 ZINC001593478407 1174081881 /nfs/dbraw/zinc/08/18/81/1174081881.db2.gz FQDQIHUTCQBEDI-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@H]1COC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603949155 1175694701 /nfs/dbraw/zinc/69/47/01/1175694701.db2.gz VACOZBNWRLLNRN-XVKPBYJWSA-N -1 3 290.283 1.222 20 5 CDBDHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839726830 936922039 /nfs/dbraw/zinc/92/20/39/936922039.db2.gz STVCKPPEQXKUHV-NXEZZACHSA-N -1 3 254.217 1.039 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CNCC3(F)F)[n-]c2c1 ZINC001218233400 941047135 /nfs/dbraw/zinc/04/71/35/941047135.db2.gz KSBCDSSAVUBTMK-VIFPVBQESA-N -1 3 284.222 1.457 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CNCC3(F)F)nc2c1 ZINC001218233400 941047136 /nfs/dbraw/zinc/04/71/36/941047136.db2.gz KSBCDSSAVUBTMK-VIFPVBQESA-N -1 3 284.222 1.457 20 5 CDBDHM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664714 941896086 /nfs/dbraw/zinc/89/60/86/941896086.db2.gz RQMWKTJBYOVVQU-SCZZXKLOSA-N -1 3 296.279 1.806 20 5 CDBDHM C=CC(=O)OC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690604 942204695 /nfs/dbraw/zinc/20/46/95/942204695.db2.gz JCLFHKKWPVTNNF-ZETCQYMHSA-N -1 3 292.251 1.363 20 5 CDBDHM COC(=O)[C@H]1C[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692788 942205961 /nfs/dbraw/zinc/20/59/61/942205961.db2.gz DBDLPXOAPZEBDT-LJGSYFOKSA-N -1 3 292.251 1.197 20 5 CDBDHM CCOC(=O)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C1CC1 ZINC001228687872 942358284 /nfs/dbraw/zinc/35/82/84/942358284.db2.gz CWJBTELJKLQRGR-GFCCVEGCSA-N -1 3 296.279 1.724 20 5 CDBDHM CN(CCNC(=O)C1(C)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100370632 968145121 /nfs/dbraw/zinc/14/51/21/968145121.db2.gz RTYXDXRFAJXHHK-UHFFFAOYSA-N -1 3 294.311 1.048 20 5 CDBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(=O)[O-])C1 ZINC001604466752 1163193575 /nfs/dbraw/zinc/19/35/75/1163193575.db2.gz BCAHJVORENAISO-TVQRCGJNSA-N -1 3 280.280 1.177 20 5 CDBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC000601195916 342488972 /nfs/dbraw/zinc/48/89/72/342488972.db2.gz VVXZWYCEYAUULF-SNVBAGLBSA-N -1 3 276.296 1.827 20 5 CDBDHM COc1cncnc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000589828584 342514903 /nfs/dbraw/zinc/51/49/03/342514903.db2.gz IGRLTDZYUQIZFA-UHFFFAOYSA-N -1 3 280.265 1.707 20 5 CDBDHM C[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC000162406021 342073220 /nfs/dbraw/zinc/07/32/20/342073220.db2.gz SIHBGRCPCRSLHT-ZETCQYMHSA-N -1 3 268.273 1.050 20 5 CDBDHM CC[C@H](NC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000595950959 343194491 /nfs/dbraw/zinc/19/44/91/343194491.db2.gz HKROGUVYGSQWNC-QMMMGPOBSA-N -1 3 253.258 1.237 20 5 CDBDHM COC(=O)C[C@H](C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596128830 343238041 /nfs/dbraw/zinc/23/80/41/343238041.db2.gz OERMYNDIIHZMCC-LURJTMIESA-N -1 3 272.282 1.739 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000596135824 343240071 /nfs/dbraw/zinc/24/00/71/343240071.db2.gz BBUKIRKBHNWXOV-BDAKNGLRSA-N -1 3 267.285 1.658 20 5 CDBDHM Cn1cncc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596190587 343252901 /nfs/dbraw/zinc/25/29/01/343252901.db2.gz VWXSFTUXOBSLFM-UHFFFAOYSA-N -1 3 263.257 1.084 20 5 CDBDHM CCO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1OC ZINC000596192861 343253703 /nfs/dbraw/zinc/25/37/03/343253703.db2.gz WJPGHTRGHHEEBE-FXPVBKGRSA-N -1 3 283.284 1.300 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000596199368 343263324 /nfs/dbraw/zinc/26/33/24/343263324.db2.gz ABOBGRNYHRMCIZ-QMMMGPOBSA-N -1 3 275.268 1.319 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000596205653 343265559 /nfs/dbraw/zinc/26/55/59/343265559.db2.gz CUKOVTTVGLBFQK-OKLBUMKZSA-N -1 3 285.325 1.041 20 5 CDBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H]1O ZINC000596223022 343271167 /nfs/dbraw/zinc/27/11/67/343271167.db2.gz OREOWWKNEYQCBR-VIFPVBQESA-N -1 3 267.285 1.293 20 5 CDBDHM CC/C=C/C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000136800659 342429613 /nfs/dbraw/zinc/42/96/13/342429613.db2.gz XVHXXMCFFFGCOY-ZZXKWVIFSA-N -1 3 270.310 1.839 20 5 CDBDHM O=C1[N-]N(c2ccc([N+](=O)[O-])cc2F)C(=O)[C@@H]2CCC[C@@H]12 ZINC000601940529 344288104 /nfs/dbraw/zinc/28/81/04/344288104.db2.gz RNSBFOLPHYKZEX-RKDXNWHRSA-N -1 3 293.254 1.528 20 5 CDBDHM Cc1cc(N(C)C[C@@H](C)c2nnn[n-]2)c(F)cc1[N+](=O)[O-] ZINC000292367205 198260601 /nfs/dbraw/zinc/26/06/01/198260601.db2.gz DABDCGGNMGKHOB-MRVPVSSYSA-N -1 3 294.290 1.795 20 5 CDBDHM Cc1cc(N(C)C[C@@H](C)c2nn[n-]n2)c(F)cc1[N+](=O)[O-] ZINC000292367205 198260602 /nfs/dbraw/zinc/26/06/02/198260602.db2.gz DABDCGGNMGKHOB-MRVPVSSYSA-N -1 3 294.290 1.795 20 5 CDBDHM C[C@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062936378 358729605 /nfs/dbraw/zinc/72/96/05/358729605.db2.gz BSPIIKGZDSZBQY-ZDUSSCGKSA-N -1 3 264.281 1.891 20 5 CDBDHM Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c([O-])c1 ZINC000436594571 358840613 /nfs/dbraw/zinc/84/06/13/358840613.db2.gz JIXCATLOKGVHRB-UHFFFAOYSA-N -1 3 290.279 1.235 20 5 CDBDHM COc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000339212701 359327964 /nfs/dbraw/zinc/32/79/64/359327964.db2.gz SPXUMBGWXIJNJH-UHFFFAOYSA-N -1 3 269.238 1.905 20 5 CDBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nccs1 ZINC000187083405 364707865 /nfs/dbraw/zinc/70/78/65/364707865.db2.gz HAJNDCCZXGCWEY-UHFFFAOYSA-N -1 3 280.265 1.429 20 5 CDBDHM COc1cc(CNc2n[nH]c(C)n2)c([N+](=O)[O-])cc1[O-] ZINC000276463359 193341879 /nfs/dbraw/zinc/34/18/79/193341879.db2.gz PBZQFMKDWPNMJW-UHFFFAOYSA-N -1 3 279.256 1.348 20 5 CDBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1csc(=O)[n-]1 ZINC000349983262 374493808 /nfs/dbraw/zinc/49/38/08/374493808.db2.gz JMHYYOOBENTKCJ-UHFFFAOYSA-N -1 3 293.304 1.729 20 5 CDBDHM CC(C)(CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000351744101 375325392 /nfs/dbraw/zinc/32/53/92/375325392.db2.gz JRTMAYHHSPDAAA-UHFFFAOYSA-N -1 3 276.289 1.621 20 5 CDBDHM CC(C)(O)CON=C([O-])Nc1ccc([N+](=O)[O-])cc1 ZINC000278570351 194049812 /nfs/dbraw/zinc/04/98/12/194049812.db2.gz NPJZQGRWIXKALH-UHFFFAOYSA-N -1 3 269.257 1.419 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000278570351 194049815 /nfs/dbraw/zinc/04/98/15/194049815.db2.gz NPJZQGRWIXKALH-UHFFFAOYSA-N -1 3 269.257 1.419 20 5 CDBDHM Cc1[nH]nc(C(=O)[N-]c2ccnc3ccncc23)c1[N+](=O)[O-] ZINC000443642766 250047450 /nfs/dbraw/zinc/04/74/50/250047450.db2.gz SWSZTZXVOYSFGO-UHFFFAOYSA-N -1 3 298.262 1.822 20 5 CDBDHM O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181821113 391514396 /nfs/dbraw/zinc/51/43/96/391514396.db2.gz MGWGEWQHUPRCJK-UHFFFAOYSA-N -1 3 279.296 1.126 20 5 CDBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590316431 1173352474 /nfs/dbraw/zinc/35/24/74/1173352474.db2.gz MIWNIOFFTPPCCA-RNFRBKRXSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590316431 1173352481 /nfs/dbraw/zinc/35/24/81/1173352481.db2.gz MIWNIOFFTPPCCA-RNFRBKRXSA-N -1 3 275.272 1.015 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N2CCc3c(nc[n-]c3=O)C2)n1 ZINC000569269623 294182805 /nfs/dbraw/zinc/18/28/05/294182805.db2.gz ZIJDKWDMUOBRSO-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM CCON(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590817644 1173521464 /nfs/dbraw/zinc/52/14/64/1173521464.db2.gz BEEXVPBEKMCOGM-UHFFFAOYSA-N -1 3 264.245 1.163 20 5 CDBDHM CCON(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590817644 1173521468 /nfs/dbraw/zinc/52/14/68/1173521468.db2.gz BEEXVPBEKMCOGM-UHFFFAOYSA-N -1 3 264.245 1.163 20 5 CDBDHM Cc1conc1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000436007264 302405268 /nfs/dbraw/zinc/40/52/68/302405268.db2.gz MNKCTUTWCQLWIN-UHFFFAOYSA-N -1 3 261.237 1.874 20 5 CDBDHM C[C@@H](NC1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000383225523 323661772 /nfs/dbraw/zinc/66/17/72/323661772.db2.gz BOYNYSGORNTLBE-SSDOTTSWSA-N -1 3 265.269 1.379 20 5 CDBDHM O=C([N-]OC1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000772712402 575741621 /nfs/dbraw/zinc/74/16/21/575741621.db2.gz XNIYLRDUYRBGRR-UHFFFAOYSA-N -1 3 272.282 1.497 20 5 CDBDHM C[C@@H]1[C@@H](C)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820728583 606424268 /nfs/dbraw/zinc/42/42/68/606424268.db2.gz XIWUBLLHCSZSCD-JGVFFNPUSA-N -1 3 289.299 1.405 20 5 CDBDHM C[C@@H]1[C@@H](C)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820728583 606424270 /nfs/dbraw/zinc/42/42/70/606424270.db2.gz XIWUBLLHCSZSCD-JGVFFNPUSA-N -1 3 289.299 1.405 20 5 CDBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC000903401578 625988183 /nfs/dbraw/zinc/98/81/83/625988183.db2.gz SRHBEVMYGIOBPW-SECBINFHSA-N -1 3 267.285 1.675 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC=CCC1 ZINC001609601404 1164998640 /nfs/dbraw/zinc/99/86/40/1164998640.db2.gz XHKJUHYYVAZRRH-UHFFFAOYSA-N -1 3 272.268 1.541 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC=CCC1 ZINC001609601404 1164998643 /nfs/dbraw/zinc/99/86/43/1164998643.db2.gz 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O=[N+]([O-])c1ccc([O-])c(O[C@H]2CN3CCC2CC3)c1 ZINC001229395395 942463683 /nfs/dbraw/zinc/46/36/83/942463683.db2.gz HXEIYONFSNFXSE-ZDUSSCGKSA-N -1 3 264.281 1.773 20 5 CDBDHM C[C@@H](CON)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233506550 943604860 /nfs/dbraw/zinc/60/48/60/943604860.db2.gz PFMWJRBGWBJBQH-YFKPBYRVSA-N -1 3 286.675 1.782 20 5 CDBDHM C[C@@H]1C[C@H]1c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC001256710501 948404766 /nfs/dbraw/zinc/40/47/66/948404766.db2.gz WPLXQNNVHZBICA-IYSWYEEDSA-N -1 3 262.225 1.869 20 5 CDBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[S@]1=O ZINC001328024493 955164274 /nfs/dbraw/zinc/16/42/74/955164274.db2.gz RLRFEGMZOCMZNL-LILOVNGRSA-N -1 3 285.325 1.043 20 5 CDBDHM Cc1nnc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001333740513 958560113 /nfs/dbraw/zinc/56/01/13/958560113.db2.gz LUNPWVJQQKZPTM-UHFFFAOYSA-N -1 3 265.229 1.023 20 5 CDBDHM C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001604757446 1163312549 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Cc1nn(C)c(C(=O)Nc2cccc([O-])c2F)c1[N+](=O)[O-] ZINC000534944909 282214535 /nfs/dbraw/zinc/21/45/35/282214535.db2.gz KQZSTUBSNISFDK-UHFFFAOYSA-N -1 3 294.242 1.734 20 5 CDBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCOCC1 ZINC000596053682 343221730 /nfs/dbraw/zinc/22/17/30/343221730.db2.gz GKCLOYQASHOQNM-UHFFFAOYSA-N -1 3 296.327 1.218 20 5 CDBDHM COC(=O)CCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596054320 343221792 /nfs/dbraw/zinc/22/17/92/343221792.db2.gz DKADMNHPOVQHEV-UHFFFAOYSA-N -1 3 258.255 1.351 20 5 CDBDHM Cc1nc2n(n1)C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596103872 343228112 /nfs/dbraw/zinc/22/81/12/343228112.db2.gz HJIFEVOIOGELMK-MRVPVSSYSA-N -1 3 290.283 1.022 20 5 CDBDHM CNC(=O)C1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596093520 343234558 /nfs/dbraw/zinc/23/45/58/343234558.db2.gz FTWYUOYYODUQJG-UHFFFAOYSA-N -1 3 294.311 1.412 20 5 CDBDHM O=c1[n-]ccc(NCCOC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000596128097 343237771 /nfs/dbraw/zinc/23/77/71/343237771.db2.gz 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COc1cc(CNC[C@H](C)OC)c([N+](=O)[O-])cc1[O-] ZINC000191153107 358116559 /nfs/dbraw/zinc/11/65/59/358116559.db2.gz JPLKBYHUXMHOTL-QMMMGPOBSA-N -1 3 270.285 1.434 20 5 CDBDHM CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000130340780 359643475 /nfs/dbraw/zinc/64/34/75/359643475.db2.gz UMRUOTCZKZOIQP-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000178274919 189102020 /nfs/dbraw/zinc/10/20/20/189102020.db2.gz MIZAALZMZSPZPD-UHFFFAOYSA-N -1 3 258.299 1.510 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1F ZINC000339117961 361298161 /nfs/dbraw/zinc/29/81/61/361298161.db2.gz GXCMNFTUASKTGE-IUCAKERBSA-N -1 3 288.300 1.764 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CC12CC2 ZINC000416644853 242086600 /nfs/dbraw/zinc/08/66/00/242086600.db2.gz JCPCHYCVLDCPNQ-VIFPVBQESA-N -1 3 282.321 1.673 20 5 CDBDHM C[C@H](CN(C)c1sccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000129867114 369912304 /nfs/dbraw/zinc/91/23/04/369912304.db2.gz GONHYFUJXGEPLU-ZCFIWIBFSA-N -1 3 268.302 1.409 20 5 CDBDHM C[C@H](CN(C)c1sccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000129867114 369912307 /nfs/dbraw/zinc/91/23/07/369912307.db2.gz GONHYFUJXGEPLU-ZCFIWIBFSA-N -1 3 268.302 1.409 20 5 CDBDHM O=C([N-]N1CCCNC1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000272908352 372343285 /nfs/dbraw/zinc/34/32/85/372343285.db2.gz HJFSAQOIZGSKIP-UHFFFAOYSA-N -1 3 298.686 1.308 20 5 CDBDHM C[C@H](NC1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000383225557 372779584 /nfs/dbraw/zinc/77/95/84/372779584.db2.gz BOYNYSGORNTLBE-ZETCQYMHSA-N -1 3 265.269 1.379 20 5 CDBDHM COc1cc(CNc2cnccn2)c([N+](=O)[O-])cc1[O-] ZINC000191161557 373434850 /nfs/dbraw/zinc/43/48/50/373434850.db2.gz GEFVOFVWHKQOMP-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]OCC(C)C)c1[N+](=O)[O-] ZINC000269708171 374001919 /nfs/dbraw/zinc/00/19/19/374001919.db2.gz NAHSVARHRKXGKL-UHFFFAOYSA-N -1 3 256.262 1.198 20 5 CDBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccco1 ZINC000344091997 379158678 /nfs/dbraw/zinc/15/86/78/379158678.db2.gz HPPSBAOOEYZCLB-UHFFFAOYSA-N -1 3 296.304 1.709 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1CC1 ZINC000173764912 379141239 /nfs/dbraw/zinc/14/12/39/379141239.db2.gz BAMUUCFILVWKSY-UHFFFAOYSA-N -1 3 284.337 1.982 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C(=O)[O-] ZINC000516777126 390966622 /nfs/dbraw/zinc/96/66/22/390966622.db2.gz MXBJAAATHSPSDE-LLVKDONJSA-N -1 3 280.280 1.652 20 5 CDBDHM Cc1o[n-]c(=NC(=O)c2ccc([N+](=O)[O-])n2C)c1C ZINC000452146555 391761161 /nfs/dbraw/zinc/76/11/61/391761161.db2.gz AXOKTYBUXMNBDX-UHFFFAOYSA-N -1 3 264.241 1.212 20 5 CDBDHM O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(CO)[n-]1 ZINC000527065853 392973506 /nfs/dbraw/zinc/97/35/06/392973506.db2.gz MZABZZRUGVOWCX-UHFFFAOYSA-N -1 3 287.688 1.405 20 5 CDBDHM O=[N+]([O-])c1cc(Cl)cnc1Sc1nc(CO)n[n-]1 ZINC000527065853 392973511 /nfs/dbraw/zinc/97/35/11/392973511.db2.gz MZABZZRUGVOWCX-UHFFFAOYSA-N -1 3 287.688 1.405 20 5 CDBDHM O=[N+]([O-])c1cc(Cl)cnc1Sc1n[n-]c(CO)n1 ZINC000527065853 392973514 /nfs/dbraw/zinc/97/35/14/392973514.db2.gz MZABZZRUGVOWCX-UHFFFAOYSA-N -1 3 287.688 1.405 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(Sc2nnc(CO)[n-]2)n1 ZINC000530479213 393051650 /nfs/dbraw/zinc/05/16/50/393051650.db2.gz CPNSUQNDBXYVQA-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(Sc2nc(CO)n[n-]2)n1 ZINC000530479213 393051652 /nfs/dbraw/zinc/05/16/52/393051652.db2.gz CPNSUQNDBXYVQA-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(Sc2n[n-]c(CO)n2)n1 ZINC000530479213 393051655 /nfs/dbraw/zinc/05/16/55/393051655.db2.gz CPNSUQNDBXYVQA-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1nn(C)c(NCc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC000343594539 152237112 /nfs/dbraw/zinc/23/71/12/152237112.db2.gz LDQFYAATUIFVOS-UHFFFAOYSA-N -1 3 278.272 1.053 20 5 CDBDHM CSc1cccc(C(=O)[N-]c2ncn(C)n2)c1[N+](=O)[O-] ZINC000349439900 154114510 /nfs/dbraw/zinc/11/45/10/154114510.db2.gz ZSRNNRVOLGRUPG-UHFFFAOYSA-N -1 3 293.308 1.698 20 5 CDBDHM N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000399176613 270369693 /nfs/dbraw/zinc/36/96/93/270369693.db2.gz HZJHYHGWERNSMN-LLVKDONJSA-N -1 3 265.269 1.366 20 5 CDBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)sn1 ZINC000130167676 279631032 /nfs/dbraw/zinc/63/10/32/279631032.db2.gz LILVWYQSFPEWKG-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM COc1c(F)cc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])cc1F ZINC000137384786 279850943 /nfs/dbraw/zinc/85/09/43/279850943.db2.gz PVEHHEIFWVTPFC-UHFFFAOYSA-N -1 3 298.205 1.857 20 5 CDBDHM O=[N+]([O-])c1c([N-]c2cn[nH]c2)nc2sccn21 ZINC000301074777 280354780 /nfs/dbraw/zinc/35/47/80/280354780.db2.gz GTVCVSQZMXYRGU-UHFFFAOYSA-N -1 3 250.243 1.771 20 5 CDBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)ncc1[N+](=O)[O-] ZINC000269739497 280581575 /nfs/dbraw/zinc/58/15/75/280581575.db2.gz ZRWVGCOYIQGZJG-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCC2)cc1 ZINC000563055513 293258797 /nfs/dbraw/zinc/25/87/97/293258797.db2.gz QRANFRCAGXOZFW-UHFFFAOYSA-N -1 3 288.300 1.765 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@](O)(C(=O)[O-])C1 ZINC001600486953 1174487586 /nfs/dbraw/zinc/48/75/86/1174487586.db2.gz IQZKBPNTKQWJFS-AWEZNQCLSA-N -1 3 294.307 1.233 20 5 CDBDHM O=C([N-]c1ccon1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000771478399 575583311 /nfs/dbraw/zinc/58/33/11/575583311.db2.gz OKHAJFGASKTVPV-UHFFFAOYSA-N -1 3 273.208 1.711 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC(F)F ZINC000759928187 576444800 /nfs/dbraw/zinc/44/48/00/576444800.db2.gz PQFUDHNLCTWAEL-UHFFFAOYSA-N -1 3 291.210 1.922 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(F)F ZINC000759928187 576444804 /nfs/dbraw/zinc/44/48/04/576444804.db2.gz PQFUDHNLCTWAEL-UHFFFAOYSA-N -1 3 291.210 1.922 20 5 CDBDHM Cc1nnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1C ZINC000753138568 577148652 /nfs/dbraw/zinc/14/86/52/577148652.db2.gz MPZPHUZMVULSAW-UHFFFAOYSA-N -1 3 297.221 1.562 20 5 CDBDHM C[C@@]1(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC1 ZINC000824836706 607905472 /nfs/dbraw/zinc/90/54/72/607905472.db2.gz BPDJUCYQOKTTEH-GFCCVEGCSA-N -1 3 290.283 1.366 20 5 CDBDHM C[C@@]1(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC1 ZINC000824836706 607905473 /nfs/dbraw/zinc/90/54/73/607905473.db2.gz BPDJUCYQOKTTEH-GFCCVEGCSA-N -1 3 290.283 1.366 20 5 CDBDHM COc1c([O-])ccc(CN2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000891778231 617583099 /nfs/dbraw/zinc/58/30/99/617583099.db2.gz JWIVGEMQRQKZKI-UHFFFAOYSA-N -1 3 296.323 1.920 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CCCC1 ZINC001607077765 1164071337 /nfs/dbraw/zinc/07/13/37/1164071337.db2.gz RTFVCWGMMITZGI-UHFFFAOYSA-N -1 3 278.247 1.514 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CCCC1 ZINC001607077765 1164071345 /nfs/dbraw/zinc/07/13/45/1164071345.db2.gz RTFVCWGMMITZGI-UHFFFAOYSA-N -1 3 278.247 1.514 20 5 CDBDHM Cc1cc(N2CC[C@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609405638 1164932507 /nfs/dbraw/zinc/93/25/07/1164932507.db2.gz SFYGGIKJQVRTLY-QMMMGPOBSA-N -1 3 292.274 1.632 20 5 CDBDHM Cc1cc(N2CC[C@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609405638 1164932508 /nfs/dbraw/zinc/93/25/08/1164932508.db2.gz SFYGGIKJQVRTLY-QMMMGPOBSA-N -1 3 292.274 1.632 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC(C3CC3)C2)ccc1-c1nnn[n-]1 ZINC001609600485 1164998253 /nfs/dbraw/zinc/99/82/53/1164998253.db2.gz LZKWWYRLWMUAHX-UHFFFAOYSA-N -1 3 286.295 1.621 20 5 CDBDHM C[C@@H](Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H](C)O ZINC001589995705 1173227136 /nfs/dbraw/zinc/22/71/36/1173227136.db2.gz LOUDQHCIAOHNHF-NKWVEPMBSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H](C)O ZINC001589995705 1173227141 /nfs/dbraw/zinc/22/71/41/1173227141.db2.gz LOUDQHCIAOHNHF-NKWVEPMBSA-N -1 3 295.324 1.636 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CCC=CO2)c1[N+](=O)[O-] ZINC000695484714 899491211 /nfs/dbraw/zinc/49/12/11/899491211.db2.gz ZRCOMSDKCHRESX-QMMMGPOBSA-N -1 3 251.242 1.800 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2CCC=CO2)c1[N+](=O)[O-] ZINC000695484711 899491506 /nfs/dbraw/zinc/49/15/06/899491506.db2.gz ZRCOMSDKCHRESX-MRVPVSSYSA-N -1 3 251.242 1.800 20 5 CDBDHM Cc1cc2[n-]c(OC[C@H]3C[C@H](O)C3)nc2cc1[N+](=O)[O-] ZINC001218426909 941216510 /nfs/dbraw/zinc/21/65/10/941216510.db2.gz MHPQORKXUHBGKQ-KYZUINATSA-N -1 3 277.280 1.929 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCOC[C@H]3F)[n-]c2c1 ZINC001227743634 942216700 /nfs/dbraw/zinc/21/67/00/942216700.db2.gz WDYSJCYNKKQHAD-KCJUWKMLSA-N -1 3 281.243 1.977 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCOC[C@H]3F)nc2c1 ZINC001227743634 942216705 /nfs/dbraw/zinc/21/67/05/942216705.db2.gz WDYSJCYNKKQHAD-KCJUWKMLSA-N -1 3 281.243 1.977 20 5 CDBDHM O=C([O-])CCN(Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC001331966635 957370593 /nfs/dbraw/zinc/37/05/93/957370593.db2.gz YAKBHTZGHHJLLA-UHFFFAOYSA-N -1 3 279.296 1.677 20 5 CDBDHM O=C([O-])[C@@H]1[C@H](CNCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000715334206 977744324 /nfs/dbraw/zinc/74/43/24/977744324.db2.gz LRGVYGLAHNNQGZ-WPRPVWTQSA-N -1 3 286.234 1.650 20 5 CDBDHM CO[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596110111 343229871 /nfs/dbraw/zinc/22/98/71/343229871.db2.gz IZCJREUJDLVQEM-MRVPVSSYSA-N -1 3 253.258 1.311 20 5 CDBDHM CNC(=O)[C@@H]1CCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596177576 343261814 /nfs/dbraw/zinc/26/18/14/343261814.db2.gz NDAPWMANTZNMFA-HTQZYQBOSA-N -1 3 280.284 1.022 20 5 CDBDHM CN(CC1(O)CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596197519 343262848 /nfs/dbraw/zinc/26/28/48/343262848.db2.gz FHDIWQCDAZKUPN-UHFFFAOYSA-N -1 3 253.258 1.047 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000596205638 343265709 /nfs/dbraw/zinc/26/57/09/343265709.db2.gz BZRILOJLTMLEEP-RXMQYKEDSA-N -1 3 267.163 1.031 20 5 CDBDHM C[C@H](Cc1cnn(C)c1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596258827 343277181 /nfs/dbraw/zinc/27/71/81/343277181.db2.gz XKNPDGQBKKYCRO-MRVPVSSYSA-N -1 3 277.284 1.472 20 5 CDBDHM Cc1cnc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596261037 343278244 /nfs/dbraw/zinc/27/82/44/343278244.db2.gz PLWOISDEAQBXFS-UHFFFAOYSA-N -1 3 275.268 1.448 20 5 CDBDHM COC(=O)CCCO[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000290817053 197829052 /nfs/dbraw/zinc/82/90/52/197829052.db2.gz ZMIBPHGETBABAJ-UHFFFAOYSA-N -1 3 288.281 1.271 20 5 CDBDHM CCOc1cc([O-])ccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360573837 357480117 /nfs/dbraw/zinc/48/01/17/357480117.db2.gz ILBCGKAPTLZFIK-UHFFFAOYSA-N -1 3 292.251 1.675 20 5 CDBDHM COCCCO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286813110 358011164 /nfs/dbraw/zinc/01/11/64/358011164.db2.gz BMXAUQMHDQVSQU-UHFFFAOYSA-N -1 3 283.284 1.993 20 5 CDBDHM COC[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339004677 359269081 /nfs/dbraw/zinc/26/90/81/359269081.db2.gz WUMMYQMDJJHXJS-SNVBAGLBSA-N -1 3 266.297 1.769 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccco1 ZINC000340217022 359612732 /nfs/dbraw/zinc/61/27/32/359612732.db2.gz DYULTPVCMVSRIR-UHFFFAOYSA-N -1 3 296.304 1.709 20 5 CDBDHM CN1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000061030906 359782998 /nfs/dbraw/zinc/78/29/98/359782998.db2.gz QFEADNYCOCLYBD-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM COc1cc(CNc2nnc(C)o2)c([N+](=O)[O-])cc1[O-] ZINC000181491136 189297637 /nfs/dbraw/zinc/29/76/37/189297637.db2.gz ARQMNZRGTMTCQG-UHFFFAOYSA-N -1 3 280.240 1.613 20 5 CDBDHM CC(C)CO[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269632662 373234859 /nfs/dbraw/zinc/23/48/59/373234859.db2.gz GFLXMVUXEJDMKH-UHFFFAOYSA-N -1 3 296.279 1.683 20 5 CDBDHM CCCN[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000423731431 246011503 /nfs/dbraw/zinc/01/15/03/246011503.db2.gz OCJNXKQNJPNKNN-MRVPVSSYSA-N -1 3 267.285 1.627 20 5 CDBDHM Cc1ccc2c(Cn3cnc([N+](=O)[O-])n3)ccc([O-])c2n1 ZINC000225429549 374356695 /nfs/dbraw/zinc/35/66/95/374356695.db2.gz PVOCKLRTNPBUQY-UHFFFAOYSA-N -1 3 285.263 1.797 20 5 CDBDHM CSCCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000280076840 374982692 /nfs/dbraw/zinc/98/26/92/374982692.db2.gz RXYZTTGYEZGDEJ-UHFFFAOYSA-N -1 3 270.310 1.548 20 5 CDBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1O ZINC000357688954 375928546 /nfs/dbraw/zinc/92/85/46/375928546.db2.gz CLMNZJBGDWQZOT-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM COc1ccc(OCCN(C)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000262614904 190058674 /nfs/dbraw/zinc/05/86/74/190058674.db2.gz CPMAXNXZDCYWKN-UHFFFAOYSA-N -1 3 298.295 1.389 20 5 CDBDHM CC(C)(O)CO[N-]c1c(F)cc([N+](=O)[O-])cc1F ZINC000278788483 194155459 /nfs/dbraw/zinc/15/54/59/194155459.db2.gz WSWURCUXQFCHPL-UHFFFAOYSA-N -1 3 262.212 1.987 20 5 CDBDHM CCN1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000272616784 285222350 /nfs/dbraw/zinc/22/23/50/285222350.db2.gz PMCMNECBHVTGFB-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048659569 390452929 /nfs/dbraw/zinc/45/29/29/390452929.db2.gz JPEQVZJCCGULIP-ZETCQYMHSA-N -1 3 276.289 1.811 20 5 CDBDHM CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000129207964 392799810 /nfs/dbraw/zinc/79/98/10/392799810.db2.gz RGWURAAISJENDP-UHFFFAOYSA-N -1 3 296.327 1.109 20 5 CDBDHM C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C ZINC000231677249 140217585 /nfs/dbraw/zinc/21/75/85/140217585.db2.gz DDBCZSOFWFNCRK-ONGXEEELSA-N -1 3 293.323 1.513 20 5 CDBDHM CCN(C(=O)c1cc([N+](=O)[O-])n[n-]1)c1nc(C)cs1 ZINC000285858208 397734569 /nfs/dbraw/zinc/73/45/69/397734569.db2.gz YGPWWCXANYSAOF-UHFFFAOYSA-N -1 3 281.297 1.750 20 5 CDBDHM O=C([N-]c1nnc(C2CC2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552026139 290042983 /nfs/dbraw/zinc/04/29/83/290042983.db2.gz CLRUVACUCFSNBP-UHFFFAOYSA-N -1 3 280.269 1.299 20 5 CDBDHM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC1 ZINC000572047675 294548079 /nfs/dbraw/zinc/54/80/79/294548079.db2.gz RUUOGMVXRBOXFN-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1cc([N+](=O)[O-])cn(Cc2ncccc2[O-])c1=O ZINC000572562149 294646874 /nfs/dbraw/zinc/64/68/74/294646874.db2.gz UVKCRLMSGOEPTN-UHFFFAOYSA-N -1 3 261.237 1.214 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]C2=NCCS2)c1 ZINC000049037264 295253544 /nfs/dbraw/zinc/25/35/44/295253544.db2.gz FEDOWACMCHDJCI-UHFFFAOYSA-N -1 3 281.293 1.436 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)C ZINC000046033795 302046657 /nfs/dbraw/zinc/04/66/57/302046657.db2.gz UVGJQBMIFRJKHY-UHFFFAOYSA-N -1 3 272.326 1.980 20 5 CDBDHM CCc1coc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC000563412613 316300502 /nfs/dbraw/zinc/30/05/02/316300502.db2.gz PDXZVEOOYKVTOT-UHFFFAOYSA-N -1 3 265.229 1.131 20 5 CDBDHM Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c([O-])c1 ZINC000192776981 323520156 /nfs/dbraw/zinc/52/01/56/323520156.db2.gz YHJHAOAXXLYVTR-UHFFFAOYSA-N -1 3 276.252 1.444 20 5 CDBDHM CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736351563 575635106 /nfs/dbraw/zinc/63/51/06/575635106.db2.gz SQXREXWKVLLCLU-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736351563 575635110 /nfs/dbraw/zinc/63/51/10/575635110.db2.gz SQXREXWKVLLCLU-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM COCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736979942 575782246 /nfs/dbraw/zinc/78/22/46/575782246.db2.gz VVOPUELNOGKWSG-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM COCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736979942 575782248 /nfs/dbraw/zinc/78/22/48/575782248.db2.gz VVOPUELNOGKWSG-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM COCCO[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000748766847 576923185 /nfs/dbraw/zinc/92/31/85/576923185.db2.gz JDEYCDBKMVAGNN-UHFFFAOYSA-N -1 3 297.311 1.481 20 5 CDBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ncccn1 ZINC000748794936 576925482 /nfs/dbraw/zinc/92/54/82/576925482.db2.gz MQZDOIDJARSWNF-UHFFFAOYSA-N -1 3 262.200 1.776 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)c(-c2nnn[n-]2)c1 ZINC000826498979 608540427 /nfs/dbraw/zinc/54/04/27/608540427.db2.gz QVALNIBNRNOANF-UHFFFAOYSA-N -1 3 299.294 1.758 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)c(-c2nn[n-]n2)c1 ZINC000826498979 608540429 /nfs/dbraw/zinc/54/04/29/608540429.db2.gz QVALNIBNRNOANF-UHFFFAOYSA-N -1 3 299.294 1.758 20 5 CDBDHM O=C([N-]OC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000867711478 679770795 /nfs/dbraw/zinc/77/07/95/679770795.db2.gz MASNMLPBGPUKKS-MRVPVSSYSA-N -1 3 284.243 1.432 20 5 CDBDHM O=C([O-])C1CC(NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000871883889 684054517 /nfs/dbraw/zinc/05/45/17/684054517.db2.gz BMKDNZJBQCAACY-UHFFFAOYSA-N -1 3 268.244 1.687 20 5 CDBDHM CC1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C(=O)O1 ZINC000853457913 684074236 /nfs/dbraw/zinc/07/42/36/684074236.db2.gz ZNVWRCFCXGLTJS-SSDOTTSWSA-N -1 3 267.241 1.201 20 5 CDBDHM C[C@](CO)(NCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001604196051 1163121422 /nfs/dbraw/zinc/12/14/22/1163121422.db2.gz NJYUPYODUUBUJV-LLVKDONJSA-N -1 3 288.687 1.173 20 5 CDBDHM O=[N+]([O-])c1ccccc1OCc1ncc(-c2nnn[n-]2)cn1 ZINC001607085283 1164074062 /nfs/dbraw/zinc/07/40/62/1164074062.db2.gz MQMWPUZPIDFKPE-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM O=[N+]([O-])c1ccccc1OCc1ncc(-c2nn[n-]n2)cn1 ZINC001607085283 1164074067 /nfs/dbraw/zinc/07/40/67/1164074067.db2.gz MQMWPUZPIDFKPE-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM C[C@H](F)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609117349 1164780968 /nfs/dbraw/zinc/78/09/68/1164780968.db2.gz OKXSFHXCWNQYQB-ZETCQYMHSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@H](F)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609117349 1164780972 /nfs/dbraw/zinc/78/09/72/1164780972.db2.gz OKXSFHXCWNQYQB-ZETCQYMHSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@@H](CF)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609374717 1164917093 /nfs/dbraw/zinc/91/70/93/1164917093.db2.gz SVQNNDUXRZCFQA-LURJTMIESA-N -1 3 266.236 1.545 20 5 CDBDHM C[C@@H](CF)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609374717 1164917098 /nfs/dbraw/zinc/91/70/98/1164917098.db2.gz SVQNNDUXRZCFQA-LURJTMIESA-N -1 3 266.236 1.545 20 5 CDBDHM C[C@@H](F)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589912003 1173203650 /nfs/dbraw/zinc/20/36/50/1173203650.db2.gz UEDJLSPJWGTNTP-SSDOTTSWSA-N -1 3 280.263 1.935 20 5 CDBDHM O=[N+]([O-])c1ccc(NC/C=C/Cl)c(-c2nnn[n-]2)c1 ZINC001593478536 1174080912 /nfs/dbraw/zinc/08/09/12/1174080912.db2.gz VJUKWNIRILARQR-DAFODLJHSA-N -1 3 280.675 1.939 20 5 CDBDHM O=[N+]([O-])c1ccc(NC/C=C/Cl)c(-c2nn[n-]n2)c1 ZINC001593478536 1174080921 /nfs/dbraw/zinc/08/09/21/1174080921.db2.gz VJUKWNIRILARQR-DAFODLJHSA-N -1 3 280.675 1.939 20 5 CDBDHM C[C@@H](CO)SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603566422 1175566706 /nfs/dbraw/zinc/56/67/06/1175566706.db2.gz LTAIZCUFKJSZRW-ZETCQYMHSA-N -1 3 295.324 1.389 20 5 CDBDHM C[C@@H](CO)SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603566422 1175566716 /nfs/dbraw/zinc/56/67/16/1175566716.db2.gz LTAIZCUFKJSZRW-ZETCQYMHSA-N -1 3 295.324 1.389 20 5 CDBDHM C[C@@H](N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)O ZINC001609760435 1165071135 /nfs/dbraw/zinc/07/11/35/1165071135.db2.gz GGZLUFOCCLYDIF-SECBINFHSA-N -1 3 296.323 1.884 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001164381975 924867004 /nfs/dbraw/zinc/86/70/04/924867004.db2.gz JAVPZJQWPVANHY-ZETCQYMHSA-N -1 3 281.247 1.053 20 5 CDBDHM CN(c1cc([O-])cc([N+](=O)[O-])c1)c1nccnc1N ZINC001199814877 925875955 /nfs/dbraw/zinc/87/59/55/925875955.db2.gz PMFUJBYQCQCDFL-UHFFFAOYSA-N -1 3 261.241 1.441 20 5 CDBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccccn2)no1 ZINC001212937066 934900127 /nfs/dbraw/zinc/90/01/27/934900127.db2.gz LRADQDALQMOCAZ-UHFFFAOYSA-N -1 3 285.219 1.807 20 5 CDBDHM Cc1ncc(Nc2ncnc3cccc([N+](=O)[O-])c32)c(=O)[n-]1 ZINC001162305616 938976841 /nfs/dbraw/zinc/97/68/41/938976841.db2.gz KARIVTCTEQYQIY-SECBINFHSA-N -1 3 298.262 1.348 20 5 CDBDHM O=[N+]([O-])c1c([O-])cccc1O[C@@H]1CN2CCC1CC2 ZINC001225619551 941890052 /nfs/dbraw/zinc/89/00/52/941890052.db2.gz CJYMELCISVQXQX-GFCCVEGCSA-N -1 3 264.281 1.773 20 5 CDBDHM O=C1CCCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663241 941895910 /nfs/dbraw/zinc/89/59/10/941895910.db2.gz ATAXYKUIYLMHPC-SECBINFHSA-N -1 3 252.226 1.586 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCOC[C@H]1F ZINC001225664137 941895972 /nfs/dbraw/zinc/89/59/72/941895972.db2.gz KDXFTIHZNJASLM-SVRRBLITSA-N -1 3 258.205 1.201 20 5 CDBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cncnc1 ZINC001225666167 941897034 /nfs/dbraw/zinc/89/70/34/941897034.db2.gz HHWBMMLCNWLGHC-ZETCQYMHSA-N -1 3 262.225 1.625 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCOC[C@H]2F)c2[n-]cnc21 ZINC001227694114 942206992 /nfs/dbraw/zinc/20/69/92/942206992.db2.gz DREHPOLHMUADQE-HTRCEHHLSA-N -1 3 282.231 1.372 20 5 CDBDHM CC1=C(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001228686860 942357336 /nfs/dbraw/zinc/35/73/36/942357336.db2.gz ROBUXNLVZZGRPP-ZETCQYMHSA-N -1 3 280.236 1.602 20 5 CDBDHM CC[C@@H](COc1cc(=O)[n-]c(C)c1[N+](=O)[O-])OC ZINC001228687766 942358290 /nfs/dbraw/zinc/35/82/90/942358290.db2.gz BBBGOQQWBPUFFP-QMMMGPOBSA-N -1 3 256.258 1.808 20 5 CDBDHM O=C1CCc2cc([O-])c(O[C@H](C[N+](=O)[O-])C3CC3)cc21 ZINC001228852699 942383753 /nfs/dbraw/zinc/38/37/53/942383753.db2.gz CJEJEGUZYXEXOL-CQSZACIVSA-N -1 3 277.276 1.955 20 5 CDBDHM COc1ccc(Nc2c(N)[nH]c(=O)[n-]c2=O)c([N+](=O)[O-])c1 ZINC001248461154 949053074 /nfs/dbraw/zinc/05/30/74/949053074.db2.gz PITYSMUUXXJVPB-UHFFFAOYSA-N -1 3 293.239 1.130 20 5 CDBDHM Cc1nnc(-c2[n-]nc(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001253436580 951900948 /nfs/dbraw/zinc/90/09/48/951900948.db2.gz CILXILTXMXYRRC-UHFFFAOYSA-N -1 3 263.135 1.695 20 5 CDBDHM Cc1nnc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])o1 ZINC001253436580 951900951 /nfs/dbraw/zinc/90/09/51/951900951.db2.gz CILXILTXMXYRRC-UHFFFAOYSA-N -1 3 263.135 1.695 20 5 CDBDHM CCCN(C)c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001343999755 964206000 /nfs/dbraw/zinc/20/60/00/964206000.db2.gz ZZZUGYLZMKNQRE-UHFFFAOYSA-N -1 3 292.299 1.337 20 5 CDBDHM COCCn1cc([N-]c2nccc(C)c2[N+](=O)[O-])cn1 ZINC000070496149 361982061 /nfs/dbraw/zinc/98/20/61/361982061.db2.gz ZHIMNKGLUMIWCX-UHFFFAOYSA-N -1 3 277.284 1.885 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)C(=O)[O-] ZINC000594541142 342915575 /nfs/dbraw/zinc/91/55/75/342915575.db2.gz PSZKFHHGUUCRCN-SECBINFHSA-N -1 3 282.296 1.804 20 5 CDBDHM CS[C@H](CO)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596133880 343239352 /nfs/dbraw/zinc/23/93/52/343239352.db2.gz AOVUJHUTNQCBBK-POYBYMJQSA-N -1 3 273.314 1.220 20 5 CDBDHM COC(=O)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596156887 343242832 /nfs/dbraw/zinc/24/28/32/343242832.db2.gz NFXBFZFCBZSAPX-UHFFFAOYSA-N -1 3 269.257 1.307 20 5 CDBDHM CCC(CC)[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596122251 343248390 /nfs/dbraw/zinc/24/83/90/343248390.db2.gz MKVZOWGWTZHSRV-JTQLQIEISA-N -1 3 269.301 1.904 20 5 CDBDHM COC(=O)[C@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596217851 343269403 /nfs/dbraw/zinc/26/94/03/343269403.db2.gz XUURZTINTGPGHE-JGVFFNPUSA-N -1 3 281.268 1.449 20 5 CDBDHM C[C@@H](CCCCO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596251622 343274857 /nfs/dbraw/zinc/27/48/57/343274857.db2.gz ZMUMHKJNNBYXRM-QMMMGPOBSA-N -1 3 255.274 1.658 20 5 CDBDHM C[C@@H]1C[C@@H](CO)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596278970 343296884 /nfs/dbraw/zinc/29/68/84/343296884.db2.gz MTLYFEMEIVDTNH-RKDXNWHRSA-N -1 3 267.285 1.150 20 5 CDBDHM CCN1CCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159917223 362566161 /nfs/dbraw/zinc/56/61/61/362566161.db2.gz BJPWTOFNXLUZAJ-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM COCc1nc(Sc2cccnc2[N+](=O)[O-])n[n-]1 ZINC000610770136 346399184 /nfs/dbraw/zinc/39/91/84/346399184.db2.gz OSJGYYIAGUPRMC-UHFFFAOYSA-N -1 3 267.270 1.406 20 5 CDBDHM Cc1cc(N(C)C[C@H](C)c2nnn[n-]2)c(F)cc1[N+](=O)[O-] ZINC000292367225 198260908 /nfs/dbraw/zinc/26/09/08/198260908.db2.gz DABDCGGNMGKHOB-QMMMGPOBSA-N -1 3 294.290 1.795 20 5 CDBDHM Cc1cc(N(C)C[C@H](C)c2nn[n-]n2)c(F)cc1[N+](=O)[O-] ZINC000292367225 198260909 /nfs/dbraw/zinc/26/09/09/198260909.db2.gz DABDCGGNMGKHOB-QMMMGPOBSA-N -1 3 294.290 1.795 20 5 CDBDHM CCCN1CC(=O)N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000414191834 535349570 /nfs/dbraw/zinc/34/95/70/535349570.db2.gz VJJVWDHQADUQRP-CYBMUJFWSA-N -1 3 295.295 1.149 20 5 CDBDHM CN1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000395495978 358670379 /nfs/dbraw/zinc/67/03/79/358670379.db2.gz PHNAUQIFXXBXJF-QMMMGPOBSA-N -1 3 265.269 1.191 20 5 CDBDHM CN1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000435229933 359043082 /nfs/dbraw/zinc/04/30/82/359043082.db2.gz MVXWCIYOSFVJRC-UHFFFAOYSA-N -1 3 265.313 1.438 20 5 CDBDHM CSc1nnc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[n-]1 ZINC000340266391 359627672 /nfs/dbraw/zinc/62/76/72/359627672.db2.gz ZVTQWORPTOSCDH-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000340266391 359627676 /nfs/dbraw/zinc/62/76/76/359627676.db2.gz ZVTQWORPTOSCDH-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1nc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n[n-]1 ZINC000340266391 359627681 /nfs/dbraw/zinc/62/76/81/359627681.db2.gz ZVTQWORPTOSCDH-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000182125794 189314341 /nfs/dbraw/zinc/31/43/41/189314341.db2.gz HGFMYAJRBWIHNK-NSHDSACASA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1nn(C)c(C(=O)[N-]OC2CCCC2)c1[N+](=O)[O-] ZINC000272143513 367147710 /nfs/dbraw/zinc/14/77/10/367147710.db2.gz VUQSCXFVWLKKKL-UHFFFAOYSA-N -1 3 268.273 1.241 20 5 CDBDHM O=C(CNC[C@@H]1CCCO1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000423721243 246001428 /nfs/dbraw/zinc/00/14/28/246001428.db2.gz FHTUFLAAAAZNJT-JTQLQIEISA-N -1 3 295.295 1.008 20 5 CDBDHM C[C@H]1C[C@H](CO)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420945765 374307772 /nfs/dbraw/zinc/30/77/72/374307772.db2.gz SCEVYVBIPCOQBI-QWRGUYRKSA-N -1 3 280.324 1.751 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000352100120 375352053 /nfs/dbraw/zinc/35/20/53/375352053.db2.gz HWHPDWZFUFKZGX-UHFFFAOYSA-N -1 3 289.251 1.233 20 5 CDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OCC1CC1 ZINC000293894612 375410537 /nfs/dbraw/zinc/41/05/37/375410537.db2.gz ZAKHRUQYDOMGBB-UHFFFAOYSA-N -1 3 264.281 1.985 20 5 CDBDHM 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GSXNKKJHMXAFLI-ZETCQYMHSA-N -1 3 254.242 1.166 20 5 CDBDHM C[C@@H]1CCN1c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590276385 1173335579 /nfs/dbraw/zinc/33/55/79/1173335579.db2.gz KYKJVBVUGLNXBF-ZCFIWIBFSA-N -1 3 278.247 1.513 20 5 CDBDHM C[C@@H]1CCN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590276385 1173335587 /nfs/dbraw/zinc/33/55/87/1173335587.db2.gz KYKJVBVUGLNXBF-ZCFIWIBFSA-N -1 3 278.247 1.513 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590316889 1173351942 /nfs/dbraw/zinc/35/19/42/1173351942.db2.gz RTGVKOKBVRYQBS-NKWVEPMBSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590316889 1173351948 /nfs/dbraw/zinc/35/19/48/1173351948.db2.gz RTGVKOKBVRYQBS-NKWVEPMBSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000050444672 525441625 /nfs/dbraw/zinc/44/16/25/525441625.db2.gz URUDGQIFRUICBI-LURJTMIESA-N -1 3 258.661 1.811 20 5 CDBDHM CC(C)C1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000824226499 607810872 /nfs/dbraw/zinc/81/08/72/607810872.db2.gz ZNGMKRMBRKNOHN-UHFFFAOYSA-N -1 3 288.311 1.867 20 5 CDBDHM CC(C)C1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000824226499 607810873 /nfs/dbraw/zinc/81/08/73/607810873.db2.gz ZNGMKRMBRKNOHN-UHFFFAOYSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824698720 694080247 /nfs/dbraw/zinc/08/02/47/694080247.db2.gz NRJGARCSLDMGAC-SFYZADRCSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824698720 694080253 /nfs/dbraw/zinc/08/02/53/694080253.db2.gz NRJGARCSLDMGAC-SFYZADRCSA-N -1 3 292.299 1.346 20 5 CDBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnccn1 ZINC000057383122 693305367 /nfs/dbraw/zinc/30/53/67/693305367.db2.gz MNRVDRVBUGWKQD-UHFFFAOYSA-N -1 3 262.200 1.776 20 5 CDBDHM COc1ccc(CC(=O)[N-]OCCC2CC2)cc1[N+](=O)[O-] ZINC000817441315 694640386 /nfs/dbraw/zinc/64/03/86/694640386.db2.gz CVCGAHPFBCDJPX-UHFFFAOYSA-N -1 3 294.307 1.994 20 5 CDBDHM Cc1cc(Nc2cn[nH]c2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605744683 1163657557 /nfs/dbraw/zinc/65/75/57/1163657557.db2.gz PNQJQNPUDMMIKQ-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM Cc1cc(Nc2cn[nH]c2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605744683 1163657560 /nfs/dbraw/zinc/65/75/60/1163657560.db2.gz PNQJQNPUDMMIKQ-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM CC(C)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589635987 1173163194 /nfs/dbraw/zinc/16/31/94/1173163194.db2.gz UVTONFHCAUAVJL-UHFFFAOYSA-N -1 3 280.263 1.982 20 5 CDBDHM CC(C)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589635987 1173163199 /nfs/dbraw/zinc/16/31/99/1173163199.db2.gz UVTONFHCAUAVJL-UHFFFAOYSA-N -1 3 280.263 1.982 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1(O)CCC1 ZINC001593476490 1174080714 /nfs/dbraw/zinc/08/07/14/1174080714.db2.gz XINRTYHQYRDBHK-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1(O)CCC1 ZINC001593476490 1174080719 /nfs/dbraw/zinc/08/07/19/1174080719.db2.gz XINRTYHQYRDBHK-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@H]2C=CCC2)c(-c2nnn[n-]2)c1 ZINC001593479462 1174083047 /nfs/dbraw/zinc/08/30/47/1174083047.db2.gz ZEDRLPANFDNXJG-QMMMGPOBSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@H]2C=CCC2)c(-c2nn[n-]n2)c1 ZINC001593479462 1174083048 /nfs/dbraw/zinc/08/30/48/1174083048.db2.gz ZEDRLPANFDNXJG-QMMMGPOBSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1ncccc1OCc1cc(-c2nnn[n-]2)ccn1 ZINC001593487236 1174084375 /nfs/dbraw/zinc/08/43/75/1174084375.db2.gz GAIDDHTWVZFNBW-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM O=[N+]([O-])c1ncccc1OCc1cc(-c2nn[n-]n2)ccn1 ZINC001593487236 1174084382 /nfs/dbraw/zinc/08/43/82/1174084382.db2.gz GAIDDHTWVZFNBW-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM O=C([N-]OC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000867492754 723682671 /nfs/dbraw/zinc/68/26/71/723682671.db2.gz LLWQJIWMXJDLMG-UHFFFAOYSA-N -1 3 284.243 1.574 20 5 CDBDHM COC(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853991704 723348631 /nfs/dbraw/zinc/34/86/31/723348631.db2.gz DMSQDGGMEHGXTO-UHFFFAOYSA-N -1 3 296.283 1.020 20 5 CDBDHM CC/C=C(/C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093502538 909919760 /nfs/dbraw/zinc/91/97/60/909919760.db2.gz YUBLYBVIJCCVTN-WTKPLQERSA-N -1 3 294.311 1.580 20 5 CDBDHM COc1cc(NCc2ncccc2[O-])cnc1[N+](=O)[O-] ZINC001169731589 928392956 /nfs/dbraw/zinc/39/29/56/928392956.db2.gz BSPAEKYGLRWXNW-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM O=C([O-])[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001119540954 937730355 /nfs/dbraw/zinc/73/03/55/937730355.db2.gz MDZPMOLBDJCSLW-NWDGAFQWSA-N -1 3 291.307 1.532 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1NCCCc1c[n-][nH]c1=O ZINC001156280146 938346024 /nfs/dbraw/zinc/34/60/24/938346024.db2.gz ZIVLGUOXSJAADK-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM Cc1ncc(Nc2ncc([N+](=O)[O-])c(C)c2C)c(=O)[n-]1 ZINC001162301817 938975505 /nfs/dbraw/zinc/97/55/05/938975505.db2.gz UVYDVUJHELCHSG-SECBINFHSA-N -1 3 275.268 1.417 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC001164374902 939467685 /nfs/dbraw/zinc/46/76/85/939467685.db2.gz PFSRARHMRDPHFF-ZETCQYMHSA-N -1 3 297.702 1.567 20 5 CDBDHM COC[C@H](C)OC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664722 941896008 /nfs/dbraw/zinc/89/60/08/941896008.db2.gz RZTCAFRZRDIMFU-DTWKUNHWSA-N -1 3 286.284 1.514 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccnc(=S)[n-]1 ZINC001226940344 942097431 /nfs/dbraw/zinc/09/74/31/942097431.db2.gz PPWSXKWXLWNNPE-SSDOTTSWSA-N -1 3 295.324 1.646 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2COc3cnccc32)c1[N+](=O)[O-] ZINC001228689267 942358460 /nfs/dbraw/zinc/35/84/60/942358460.db2.gz QPMDQQUNABOHDL-NSHDSACASA-N -1 3 289.247 1.911 20 5 CDBDHM CC(C)Cc1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001256481931 948332810 /nfs/dbraw/zinc/33/28/10/948332810.db2.gz ZVMQKBICRHNHPM-UHFFFAOYSA-N -1 3 264.241 1.944 20 5 CDBDHM CCN(CCNC(=O)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100446466 968379411 /nfs/dbraw/zinc/37/94/11/968379411.db2.gz IURIDTGGHUZQKN-UHFFFAOYSA-N -1 3 294.311 1.048 20 5 CDBDHM C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001604757448 1163313133 /nfs/dbraw/zinc/31/31/33/1163313133.db2.gz QHAXXYFBXMUBBN-WPRPVWTQSA-N -1 3 282.300 1.013 20 5 CDBDHM CN1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H](C(=O)[O-])C1 ZINC000592981427 342755158 /nfs/dbraw/zinc/75/51/58/342755158.db2.gz ZVPNIUJGIIHAEJ-QMMMGPOBSA-N -1 3 285.325 1.109 20 5 CDBDHM CC(C)[C@H](O)Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653668 342934600 /nfs/dbraw/zinc/93/46/00/342934600.db2.gz XJSXFNFRWQGCRN-CYBMUJFWSA-N -1 3 292.295 1.441 20 5 CDBDHM CCOCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596083268 343220379 /nfs/dbraw/zinc/22/03/79/343220379.db2.gz ZAHCEJBWNDRHJC-UHFFFAOYSA-N -1 3 255.274 1.924 20 5 CDBDHM C[C@@H](CC[S@@](C)=O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596139464 343241463 /nfs/dbraw/zinc/24/14/63/343241463.db2.gz AZSZMRPHPZMZSZ-ULCDLSAGSA-N -1 3 273.314 1.264 20 5 CDBDHM C[C@H](CN(C)c1c(Cl)cncc1[N+](=O)[O-])c1nnn[n-]1 ZINC000596193031 343253532 /nfs/dbraw/zinc/25/35/32/343253532.db2.gz ISSXYOWBLWBEFC-ZCFIWIBFSA-N -1 3 297.706 1.396 20 5 CDBDHM C[C@H](CN(C)c1c(Cl)cncc1[N+](=O)[O-])c1nn[n-]n1 ZINC000596193031 343253535 /nfs/dbraw/zinc/25/35/35/343253535.db2.gz ISSXYOWBLWBEFC-ZCFIWIBFSA-N -1 3 297.706 1.396 20 5 CDBDHM CCC(=O)N1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596160941 343255963 /nfs/dbraw/zinc/25/59/63/343255963.db2.gz QGCPWCCQGUBBGL-QMMMGPOBSA-N -1 3 280.284 1.118 20 5 CDBDHM C[C@H](O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596169755 343258700 /nfs/dbraw/zinc/25/87/00/343258700.db2.gz KWMYXOPBOQGUBK-IUCAKERBSA-N -1 3 267.285 1.293 20 5 CDBDHM CCOCCO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596171095 343259048 /nfs/dbraw/zinc/25/90/48/343259048.db2.gz GBQCBUHWVGNYDD-JTQLQIEISA-N -1 3 297.311 1.327 20 5 CDBDHM O=c1[n-]ccc(NCC[C@]2(O)CCCOC2)c1[N+](=O)[O-] ZINC000596295369 343290387 /nfs/dbraw/zinc/29/03/87/343290387.db2.gz KYBLFSFBHNWJFY-GFCCVEGCSA-N -1 3 283.284 1.039 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000596546345 343347812 /nfs/dbraw/zinc/34/78/12/343347812.db2.gz ZPSFCCLPTABMOE-PELKAZGASA-N -1 3 267.285 1.150 20 5 CDBDHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000092940373 351301983 /nfs/dbraw/zinc/30/19/83/351301983.db2.gz NKWNJGOWKOWVIP-JOYOIKCWSA-N -1 3 264.281 1.890 20 5 CDBDHM NC(=O)[C@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339084865 359285348 /nfs/dbraw/zinc/28/53/48/359285348.db2.gz HXJUBSULHUDGPT-NWDGAFQWSA-N -1 3 293.323 1.434 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000570154549 359286693 /nfs/dbraw/zinc/28/66/93/359286693.db2.gz FAJBTBBNDCCAFU-UHFFFAOYSA-N -1 3 276.252 1.595 20 5 CDBDHM CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000272592191 367778948 /nfs/dbraw/zinc/77/89/48/367778948.db2.gz IOGPDMJKXMUPIP-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM CC(C)CO[N-]C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269698505 373905905 /nfs/dbraw/zinc/90/59/05/373905905.db2.gz JLJIYDCWENYGMI-UHFFFAOYSA-N -1 3 270.289 1.759 20 5 CDBDHM Cc1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1[O-] ZINC000132306255 375449035 /nfs/dbraw/zinc/44/90/35/375449035.db2.gz MFDOJAKLMOOPJO-UHFFFAOYSA-N -1 3 262.225 1.584 20 5 CDBDHM O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCc2cccc([O-])c21 ZINC000354437183 284618088 /nfs/dbraw/zinc/61/80/88/284618088.db2.gz VGRDJWXHVSYENU-UHFFFAOYSA-N -1 3 288.263 1.617 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC(F)(F)F)cc1 ZINC000360844585 390594653 /nfs/dbraw/zinc/59/46/53/390594653.db2.gz IHQZTDIFGPRODQ-UHFFFAOYSA-N -1 3 298.242 1.826 20 5 CDBDHM COC(=O)c1[n-]cnc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000549696271 392605698 /nfs/dbraw/zinc/60/56/98/392605698.db2.gz KWHGIORJUCFUHJ-UHFFFAOYSA-N -1 3 296.264 1.418 20 5 CDBDHM COC(=O)c1nc[n-]c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000549696271 392605704 /nfs/dbraw/zinc/60/57/04/392605704.db2.gz KWHGIORJUCFUHJ-UHFFFAOYSA-N -1 3 296.264 1.418 20 5 CDBDHM O=C(Nc1ccncc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186809872 140070338 /nfs/dbraw/zinc/07/03/38/140070338.db2.gz JQWOBBOCBPGKDT-UHFFFAOYSA-N -1 3 260.209 1.343 20 5 CDBDHM COc1cncc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)n1 ZINC000362477657 159156985 /nfs/dbraw/zinc/15/69/85/159156985.db2.gz WRSMELUHMWTCKY-UHFFFAOYSA-N -1 3 292.226 1.785 20 5 CDBDHM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285653761 196355913 /nfs/dbraw/zinc/35/59/13/196355913.db2.gz CMYLRGMZSHKRNR-UHFFFAOYSA-N -1 3 265.229 1.429 20 5 CDBDHM CN(C)c1n[nH]c([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000340996594 276894132 /nfs/dbraw/zinc/89/41/32/276894132.db2.gz OZJYAMQKWDJJAJ-UHFFFAOYSA-N -1 3 294.246 1.170 20 5 CDBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000386875803 323753099 /nfs/dbraw/zinc/75/30/99/323753099.db2.gz LKUPQIZGWIUGAT-BDAKNGLRSA-N -1 3 288.325 1.033 20 5 CDBDHM Cc1cc(=O)[n-]c(CSCCn2cc([N+](=O)[O-])cn2)n1 ZINC000772917782 575767927 /nfs/dbraw/zinc/76/79/27/575767927.db2.gz DDWOFYCIQYZHID-UHFFFAOYSA-N -1 3 295.324 1.529 20 5 CDBDHM CC(C)[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000820044196 598188958 /nfs/dbraw/zinc/18/89/58/598188958.db2.gz XBONWBMRQKUYEG-LLVKDONJSA-N -1 3 270.260 1.933 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C(=O)[O-] ZINC000820387708 598219922 /nfs/dbraw/zinc/21/99/22/598219922.db2.gz XIYWXTNMIKMSAT-QMMMGPOBSA-N -1 3 268.269 1.556 20 5 CDBDHM C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820717960 606417994 /nfs/dbraw/zinc/41/79/94/606417994.db2.gz ZHSPXFYRSCHNMA-SSDOTTSWSA-N -1 3 275.272 1.159 20 5 CDBDHM C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820717960 606417996 /nfs/dbraw/zinc/41/79/96/606417996.db2.gz ZHSPXFYRSCHNMA-SSDOTTSWSA-N -1 3 275.272 1.159 20 5 CDBDHM O=[N+]([O-])c1ccc(NC2CC=CC2)c(-c2nnn[n-]2)c1 ZINC000823639542 607120377 /nfs/dbraw/zinc/12/03/77/607120377.db2.gz CXCLYFZOSOPBGB-UHFFFAOYSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1ccc(NC2CC=CC2)c(-c2nn[n-]n2)c1 ZINC000823639542 607120378 /nfs/dbraw/zinc/12/03/78/607120378.db2.gz CXCLYFZOSOPBGB-UHFFFAOYSA-N -1 3 272.268 1.905 20 5 CDBDHM CC(=O)Nc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1 ZINC000794620734 695630595 /nfs/dbraw/zinc/63/05/95/695630595.db2.gz JNGWOFCNXQNZRO-UHFFFAOYSA-N -1 3 290.235 1.496 20 5 CDBDHM CN(CC1CC1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609273412 1164876702 /nfs/dbraw/zinc/87/67/02/1164876702.db2.gz JAUBCMLHVVYKIT-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CN(CC1CC1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609273412 1164876709 /nfs/dbraw/zinc/87/67/09/1164876709.db2.gz JAUBCMLHVVYKIT-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(C(F)F)C1 ZINC001609601058 1164998450 /nfs/dbraw/zinc/99/84/50/1164998450.db2.gz OYRNNYGNKXNRKC-UHFFFAOYSA-N -1 3 296.237 1.476 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(C(F)F)C1 ZINC001609601058 1164998457 /nfs/dbraw/zinc/99/84/57/1164998457.db2.gz OYRNNYGNKXNRKC-UHFFFAOYSA-N -1 3 296.237 1.476 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Cn1ccnc1 ZINC001593480468 1174084773 /nfs/dbraw/zinc/08/47/73/1174084773.db2.gz AGCSRRLRCFKKBL-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Cn1ccnc1 ZINC001593480468 1174084777 /nfs/dbraw/zinc/08/47/77/1174084777.db2.gz AGCSRRLRCFKKBL-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM CC(C)CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603288731 1175531940 /nfs/dbraw/zinc/53/19/40/1175531940.db2.gz RWHRSYDRRKGEOV-UHFFFAOYSA-N -1 3 276.300 1.867 20 5 CDBDHM C[C@H]1C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603872534 1175664030 /nfs/dbraw/zinc/66/40/30/1175664030.db2.gz SJYOFDSIBMWWAH-BQBZGAKWSA-N -1 3 275.272 1.238 20 5 CDBDHM C[C@H]1C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603872534 1175664033 /nfs/dbraw/zinc/66/40/33/1175664033.db2.gz SJYOFDSIBMWWAH-BQBZGAKWSA-N -1 3 275.272 1.238 20 5 CDBDHM CC1=NO[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853661790 723804851 /nfs/dbraw/zinc/80/48/51/723804851.db2.gz UDXUUQRWYCOZKO-ZETCQYMHSA-N -1 3 252.230 1.272 20 5 CDBDHM COC(=O)N1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853253214 724216480 /nfs/dbraw/zinc/21/64/80/724216480.db2.gz ZIIADNAGNZAFSU-QMMMGPOBSA-N -1 3 296.283 1.338 20 5 CDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CF)cc1C ZINC000885413903 724338075 /nfs/dbraw/zinc/33/80/75/724338075.db2.gz KCTCTAHNCPAKPN-VIFPVBQESA-N -1 3 290.316 1.848 20 5 CDBDHM Cc1ccc(N2CCc3c(nc[n-]c3=O)C2)c([N+](=O)[O-])c1 ZINC000784171092 725414330 /nfs/dbraw/zinc/41/43/30/725414330.db2.gz KOXYKGPVMLPMAS-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM O=C([O-])COc1ccc(CN[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC001610786388 1165441507 /nfs/dbraw/zinc/44/15/07/1165441507.db2.gz FUEQOKIHUJUIFD-GFCCVEGCSA-N -1 3 292.291 1.700 20 5 CDBDHM CCCC(=O)N(C)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001105327660 900182196 /nfs/dbraw/zinc/18/21/96/900182196.db2.gz VMKHANCORAJISP-UHFFFAOYSA-N -1 3 296.327 1.390 20 5 CDBDHM CCCC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094282908 910454873 /nfs/dbraw/zinc/45/48/73/910454873.db2.gz JVOHJEMLXFZSCI-UHFFFAOYSA-N -1 3 282.300 1.414 20 5 CDBDHM Cc1ncc(Nc2nccc(Cl)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297367 922194491 /nfs/dbraw/zinc/19/44/91/922194491.db2.gz BGVHWZMHEYOGOX-ZETCQYMHSA-N -1 3 281.659 1.453 20 5 CDBDHM CC(C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110057359 929129811 /nfs/dbraw/zinc/12/98/11/929129811.db2.gz NZRGYPRDBRNDQB-UHFFFAOYSA-N -1 3 294.311 1.412 20 5 CDBDHM NCc1nccnc1[N-]c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001160246431 938777283 /nfs/dbraw/zinc/77/72/83/938777283.db2.gz RQEFLMNJNQCQEF-UHFFFAOYSA-N -1 3 297.278 1.530 20 5 CDBDHM Cc1ncc(Nc2nc(Cl)nc(C)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297717 938972989 /nfs/dbraw/zinc/97/29/89/938972989.db2.gz HCOKYUBFCWFPSR-LURJTMIESA-N -1 3 296.674 1.157 20 5 CDBDHM Nc1[nH]c(=O)[n-]c(=O)c1Nc1ccccc1[N+](=O)[O-] ZINC001206144988 939985569 /nfs/dbraw/zinc/98/55/69/939985569.db2.gz VRPHCQGAZQRUAC-UHFFFAOYSA-N -1 3 263.213 1.122 20 5 CDBDHM COc1ncc(Nc2cc(=O)[n-]c(C)n2)cc1[N+](=O)[O-] ZINC001210135869 940665302 /nfs/dbraw/zinc/66/53/02/940665302.db2.gz DYGJJYPXNMLIPY-UHFFFAOYSA-N -1 3 277.240 1.546 20 5 CDBDHM COC[C@H](C)OC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664723 941897114 /nfs/dbraw/zinc/89/71/14/941897114.db2.gz RZTCAFRZRDIMFU-IUCAKERBSA-N -1 3 286.284 1.514 20 5 CDBDHM CCOC(=O)[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692561 942204612 /nfs/dbraw/zinc/20/46/12/942204612.db2.gz ZSSXNIUXZJUVSV-MRVPVSSYSA-N -1 3 294.267 1.587 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@@H]2CCC=CO2)c2[n-]cnc21 ZINC001227693568 942205392 /nfs/dbraw/zinc/20/53/92/942205392.db2.gz WASXTZMTUDDHND-QMMMGPOBSA-N -1 3 276.252 1.938 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2C=C(C)OC(=O)C2)c1[N+](=O)[O-] ZINC001228686156 942357941 /nfs/dbraw/zinc/35/79/41/942357941.db2.gz LWOUQKZWISLYAE-MRVPVSSYSA-N -1 3 280.236 1.602 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC001228687406 942358012 /nfs/dbraw/zinc/35/80/12/942358012.db2.gz WWEKMPSKWVFGTN-VIFPVBQESA-N -1 3 268.269 1.952 20 5 CDBDHM COC(=O)C1(C)CC(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228689368 942359469 /nfs/dbraw/zinc/35/94/69/942359469.db2.gz SQGIBOUMWGQMLM-UHFFFAOYSA-N -1 3 296.279 1.724 20 5 CDBDHM O=c1nc(O[C@@H](C[N+](=O)[O-])C2CC2)c2c([n-]1)CCS2 ZINC001230791891 942696831 /nfs/dbraw/zinc/69/68/31/942696831.db2.gz ISKIHTLQBNKVHX-QMMMGPOBSA-N -1 3 283.309 1.265 20 5 CDBDHM O=C([O-])COCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC001595113392 951924508 /nfs/dbraw/zinc/92/45/08/951924508.db2.gz SDRKLRVHUUPFSR-NSHDSACASA-N -1 3 280.280 1.273 20 5 CDBDHM CC[C@H](C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C(=O)[O-] ZINC001603573087 973703336 /nfs/dbraw/zinc/70/33/36/973703336.db2.gz FQYYTEVFTYKZAQ-MRVPVSSYSA-N -1 3 298.295 1.509 20 5 CDBDHM C[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000692778236 976544082 /nfs/dbraw/zinc/54/40/82/976544082.db2.gz ZPOMSBDIQXLXJK-ZETCQYMHSA-N -1 3 256.233 1.639 20 5 CDBDHM CCOCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604432018 1163186347 /nfs/dbraw/zinc/18/63/47/1163186347.db2.gz CICIOIVRBYKKSS-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM CCOCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604432018 1163186353 /nfs/dbraw/zinc/18/63/53/1163186353.db2.gz CICIOIVRBYKKSS-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCF ZINC000619491981 349746920 /nfs/dbraw/zinc/74/69/20/349746920.db2.gz JGTPTFKDLQZQNR-UHFFFAOYSA-N -1 3 292.288 1.241 20 5 CDBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cn1ccnc1 ZINC000596081556 343219959 /nfs/dbraw/zinc/21/99/59/343219959.db2.gz ZQMPPSZSYRFLLY-VIFPVBQESA-N -1 3 277.284 1.640 20 5 CDBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOC1 ZINC000596127127 343237707 /nfs/dbraw/zinc/23/77/07/343237707.db2.gz VJOSOXXVHFCXSA-LLVKDONJSA-N -1 3 253.258 1.534 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000596146897 343244152 /nfs/dbraw/zinc/24/41/52/343244152.db2.gz UCFVHPBKSMTJBY-SCZZXKLOSA-N -1 3 267.285 1.658 20 5 CDBDHM CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC000596155189 343247350 /nfs/dbraw/zinc/24/73/50/343247350.db2.gz QWVKPTZPDPTHEY-UHFFFAOYSA-N -1 3 267.285 1.924 20 5 CDBDHM Cc1nc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC000596182647 343250665 /nfs/dbraw/zinc/25/06/65/343250665.db2.gz DTGSKFJUPBVFQC-UHFFFAOYSA-N -1 3 265.229 1.023 20 5 CDBDHM C[C@@H](O)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596169756 343258679 /nfs/dbraw/zinc/25/86/79/343258679.db2.gz KWMYXOPBOQGUBK-RKDXNWHRSA-N -1 3 267.285 1.293 20 5 CDBDHM CCC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596176566 343260740 /nfs/dbraw/zinc/26/07/40/343260740.db2.gz BSSVDJWYGXDVSS-VIFPVBQESA-N -1 3 267.285 1.701 20 5 CDBDHM COCC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596215410 343268617 /nfs/dbraw/zinc/26/86/17/343268617.db2.gz BZJXJIAHDCMKKX-UHFFFAOYSA-N -1 3 253.258 1.168 20 5 CDBDHM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000093457190 345628181 /nfs/dbraw/zinc/62/81/81/345628181.db2.gz HQFOOEHXUMSDNT-UHFFFAOYSA-N -1 3 279.340 1.826 20 5 CDBDHM CCC[C@H](O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000158697932 188390276 /nfs/dbraw/zinc/39/02/76/188390276.db2.gz XAOFEMVJXIMPKC-VIFPVBQESA-N -1 3 288.325 1.034 20 5 CDBDHM C[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 ZINC000158463865 188377728 /nfs/dbraw/zinc/37/77/28/188377728.db2.gz GZDHXBNTLOMMQA-LLVKDONJSA-N -1 3 286.309 1.052 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000337940834 358524993 /nfs/dbraw/zinc/52/49/93/358524993.db2.gz WRBYLRMWVIZNMX-UHFFFAOYSA-N -1 3 296.304 1.975 20 5 CDBDHM COC(=O)[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596553146 358664068 /nfs/dbraw/zinc/66/40/68/358664068.db2.gz IJOOFOLVNOKYAT-LJGSYFOKSA-N -1 3 267.241 1.059 20 5 CDBDHM C[C@@](O)(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000582008205 364060667 /nfs/dbraw/zinc/06/06/67/364060667.db2.gz CZOIHAYBXUDPOA-CQSZACIVSA-N -1 3 294.307 1.395 20 5 CDBDHM CCc1cnc(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000295989053 370822583 /nfs/dbraw/zinc/82/25/83/370822583.db2.gz RQXDFHMFPSAGFS-UHFFFAOYSA-N -1 3 295.320 1.854 20 5 CDBDHM CCc1c[n-]c(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000295989053 370822589 /nfs/dbraw/zinc/82/25/89/370822589.db2.gz RQXDFHMFPSAGFS-UHFFFAOYSA-N -1 3 295.320 1.854 20 5 CDBDHM CC1(F)CC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000451627328 390635356 /nfs/dbraw/zinc/63/53/56/390635356.db2.gz CDLKICBUCLEOBB-UHFFFAOYSA-N -1 3 288.300 1.764 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC000574281184 391332656 /nfs/dbraw/zinc/33/26/56/391332656.db2.gz QSLXBCYZPOHMRR-NSHDSACASA-N -1 3 293.323 1.356 20 5 CDBDHM Cc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n(C)n1 ZINC000596225534 392637134 /nfs/dbraw/zinc/63/71/34/392637134.db2.gz JZHLIURFVHQHOA-UHFFFAOYSA-N -1 3 263.257 1.349 20 5 CDBDHM CCN(C)S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355885218 157274728 /nfs/dbraw/zinc/27/47/28/157274728.db2.gz WJULIULCRCCNIL-UHFFFAOYSA-N -1 3 277.277 1.342 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000524379150 281108421 /nfs/dbraw/zinc/10/84/21/281108421.db2.gz MRWYKLFUIHPAON-SECBINFHSA-N -1 3 280.259 1.658 20 5 CDBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000154104750 289194228 /nfs/dbraw/zinc/19/42/28/289194228.db2.gz QVAJHMZJVUDAJY-UHFFFAOYSA-N -1 3 296.308 1.302 20 5 CDBDHM COc1cc(CNc2nncs2)c([N+](=O)[O-])cc1[O-] ZINC000181446035 323235707 /nfs/dbraw/zinc/23/57/07/323235707.db2.gz COGVZGJDHLXQIP-UHFFFAOYSA-N -1 3 282.281 1.773 20 5 CDBDHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000049239433 525314717 /nfs/dbraw/zinc/31/47/17/525314717.db2.gz BEYXUXQSIRXSGE-HTQZYQBOSA-N -1 3 288.300 1.668 20 5 CDBDHM COC[C@@](C)(CC(=O)[O-])NCc1ccccc1[N+](=O)[O-] ZINC000831585164 601136157 /nfs/dbraw/zinc/13/61/57/601136157.db2.gz KSUKVBGQHKUYAY-CYBMUJFWSA-N -1 3 282.296 1.564 20 5 CDBDHM CC(C)CONc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824271675 608373263 /nfs/dbraw/zinc/37/32/63/608373263.db2.gz QTRWHZOHGMIISK-UHFFFAOYSA-N -1 3 278.272 1.774 20 5 CDBDHM CC(C)CONc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824271675 608373265 /nfs/dbraw/zinc/37/32/65/608373265.db2.gz QTRWHZOHGMIISK-UHFFFAOYSA-N -1 3 278.272 1.774 20 5 CDBDHM CC[C@@H]1CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000891563151 617481225 /nfs/dbraw/zinc/48/12/25/617481225.db2.gz ZJVMTKLYUQYUTF-LLVKDONJSA-N -1 3 296.323 1.920 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CO1 ZINC001590207416 1173292819 /nfs/dbraw/zinc/29/28/19/1173292819.db2.gz RWHMLGAAVLXCOE-VXNVDRBHSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590239976 1173311198 /nfs/dbraw/zinc/31/11/98/1173311198.db2.gz OOUXCZQGTBRYOQ-CBAPKCEASA-N -1 3 289.299 1.770 20 5 CDBDHM C[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590239976 1173311207 /nfs/dbraw/zinc/31/12/07/1173311207.db2.gz OOUXCZQGTBRYOQ-CBAPKCEASA-N -1 3 289.299 1.770 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCCCCC1 ZINC001593470912 1174082516 /nfs/dbraw/zinc/08/25/16/1174082516.db2.gz QHQLUFNAPHLAIA-UHFFFAOYSA-N -1 3 289.299 1.550 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCCCCC1 ZINC001593470912 1174082523 /nfs/dbraw/zinc/08/25/23/1174082523.db2.gz QHQLUFNAPHLAIA-UHFFFAOYSA-N -1 3 289.299 1.550 20 5 CDBDHM O=[N+]([O-])c1ccc(NC/C=C\Cl)c(-c2nnn[n-]2)c1 ZINC001593478538 1174082611 /nfs/dbraw/zinc/08/26/11/1174082611.db2.gz VJUKWNIRILARQR-RJRFIUFISA-N -1 3 280.675 1.939 20 5 CDBDHM O=[N+]([O-])c1ccc(NC/C=C\Cl)c(-c2nn[n-]n2)c1 ZINC001593478538 1174082619 /nfs/dbraw/zinc/08/26/19/1174082619.db2.gz VJUKWNIRILARQR-RJRFIUFISA-N -1 3 280.675 1.939 20 5 CDBDHM CCOC(=O)[C@@H](F)C1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853645640 726165144 /nfs/dbraw/zinc/16/51/44/726165144.db2.gz CLBIGGQMLDEURI-VIFPVBQESA-N -1 3 299.258 1.033 20 5 CDBDHM CC(C)[C@H](CO)O[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000836893414 727460397 /nfs/dbraw/zinc/46/03/97/727460397.db2.gz AHWCUSSGWYFWMC-LBPRGKRZSA-N -1 3 282.296 1.202 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000791265189 727985456 /nfs/dbraw/zinc/98/54/56/727985456.db2.gz XXMNIEPLDNVQOR-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM O=c1[n-]ccc(NCCCNc2ncccn2)c1[N+](=O)[O-] ZINC000853197903 728031032 /nfs/dbraw/zinc/03/10/32/728031032.db2.gz FYJXVTSXGISZMK-UHFFFAOYSA-N -1 3 290.283 1.400 20 5 CDBDHM CO[C@@H](C)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609309268 1164888331 /nfs/dbraw/zinc/88/83/31/1164888331.db2.gz YGVQLKPMQUWTDP-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM CO[C@@H](C)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609309268 1164888340 /nfs/dbraw/zinc/88/83/40/1164888340.db2.gz YGVQLKPMQUWTDP-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM COc1ccc(Nc2cnc[n-]c2=O)cc1[N+](=O)[O-] ZINC001176362941 914087451 /nfs/dbraw/zinc/08/74/51/914087451.db2.gz GDWDTILUXGJWJG-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM CC(C)(C)OC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695451369 923296965 /nfs/dbraw/zinc/29/69/65/923296965.db2.gz AYSWLGSRPCFFSL-UHFFFAOYSA-N -1 3 298.299 1.632 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc3n(n2)CCO3)c1 ZINC001199828611 925894831 /nfs/dbraw/zinc/89/48/31/925894831.db2.gz OMASHKQRWMFKER-UHFFFAOYSA-N -1 3 262.225 1.633 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CN2CCC1CC2 ZINC001225665467 941896134 /nfs/dbraw/zinc/89/61/34/941896134.db2.gz AHGGMGAORDLZMA-JTQLQIEISA-N -1 3 265.269 1.168 20 5 CDBDHM CCOC(=O)C[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666434 941896646 /nfs/dbraw/zinc/89/66/46/941896646.db2.gz ISURAZZPYGYJOR-SSDOTTSWSA-N -1 3 270.241 1.416 20 5 CDBDHM O=[N+]([O-])c1cnc(OC2CCOCC2)c2[n-]cnc21 ZINC001227692832 942205343 /nfs/dbraw/zinc/20/53/43/942205343.db2.gz FMECQZVWMOHKGM-UHFFFAOYSA-N -1 3 264.241 1.424 20 5 CDBDHM O=[N+]([O-])C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)C1CC1 ZINC001234448458 943840377 /nfs/dbraw/zinc/84/03/77/943840377.db2.gz WKLVWVXJCCSFLZ-SNVBAGLBSA-N -1 3 263.253 1.703 20 5 CDBDHM O=c1cc(Cn2ncc([N+](=O)[O-])n2)nc(-c2ccccc2)[n-]1 ZINC001307385503 956403360 /nfs/dbraw/zinc/40/33/60/956403360.db2.gz XEYNTNUYULSBIN-UHFFFAOYSA-N -1 3 298.262 1.397 20 5 CDBDHM CN(C[C@H]1CCCN1C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162454373 342073181 /nfs/dbraw/zinc/07/31/81/342073181.db2.gz DAYQNZYMBPVCIC-SNVBAGLBSA-N -1 3 294.311 1.218 20 5 CDBDHM Cc1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1[O-] ZINC000619250443 342148849 /nfs/dbraw/zinc/14/88/49/342148849.db2.gz CFMKOXCPJDLAFG-UHFFFAOYSA-N -1 3 288.263 1.669 20 5 CDBDHM C[C@H]1[C@@H](C(=O)[O-])CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000593751419 342832524 /nfs/dbraw/zinc/83/25/24/342832524.db2.gz ZXJYODLDGSRMSK-QWRGUYRKSA-N -1 3 294.307 1.769 20 5 CDBDHM CCn1c(C)nc([N+](=O)[O-])c1NCCc1c(C)[n-][nH]c1=O ZINC000588817371 342222170 /nfs/dbraw/zinc/22/21/70/342222170.db2.gz DIIUXWKYKFKBNI-VIFPVBQESA-N -1 3 294.315 1.044 20 5 CDBDHM CCOC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596125890 343237268 /nfs/dbraw/zinc/23/72/68/343237268.db2.gz FDDGSPTXFOZPGY-SNVBAGLBSA-N -1 3 281.312 1.948 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000596126782 343237349 /nfs/dbraw/zinc/23/73/49/343237349.db2.gz QAVNHURTCSCPTL-MRVPVSSYSA-N -1 3 275.268 1.388 20 5 CDBDHM CCn1ccnc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596251647 343274853 /nfs/dbraw/zinc/27/48/53/343274853.db2.gz UQPAPWCOHTZQLM-UHFFFAOYSA-N -1 3 263.257 1.524 20 5 CDBDHM COC(=O)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596516383 343340140 /nfs/dbraw/zinc/34/01/40/343340140.db2.gz VPDLCEQLCYTXCL-DTWKUNHWSA-N -1 3 295.295 1.331 20 5 CDBDHM Cc1ccnc([C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000598639081 343853887 /nfs/dbraw/zinc/85/38/87/343853887.db2.gz HSVUUPOJBSAUHR-MRVPVSSYSA-N -1 3 275.268 1.967 20 5 CDBDHM CCN1CCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159917363 362566061 /nfs/dbraw/zinc/56/60/61/362566061.db2.gz BJPWTOFNXLUZAJ-NSHDSACASA-N -1 3 293.323 1.515 20 5 CDBDHM CC(C)(C)c1cc([N-]C(=O)Cn2cnc([N+](=O)[O-])n2)on1 ZINC000053835638 347810263 /nfs/dbraw/zinc/81/02/63/347810263.db2.gz GZZVDHHNMZOROE-UHFFFAOYSA-N -1 3 294.271 1.111 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OC[C@@H]1CCOC1 ZINC000188310865 357876667 /nfs/dbraw/zinc/87/66/67/357876667.db2.gz QYMCUFJVHULBCR-LLVKDONJSA-N -1 3 280.280 1.222 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000062936054 358731529 /nfs/dbraw/zinc/73/15/29/358731529.db2.gz GXRPMEUUHIFGEJ-AWEZNQCLSA-N -1 3 294.307 1.900 20 5 CDBDHM COCCCO[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000288002134 359144719 /nfs/dbraw/zinc/14/47/19/359144719.db2.gz ZWQPPRSSPTZJCV-UHFFFAOYSA-N -1 3 288.687 1.946 20 5 CDBDHM CCN(CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000101958758 364519057 /nfs/dbraw/zinc/51/90/57/364519057.db2.gz LCKVHTXYBRSSBQ-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM CCN1CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000387328299 367801728 /nfs/dbraw/zinc/80/17/28/367801728.db2.gz DQRYXAYDCIAIEB-UHFFFAOYSA-N -1 3 294.311 1.584 20 5 CDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2n[n-]nc2c1 ZINC000053867018 374374580 /nfs/dbraw/zinc/37/45/80/374374580.db2.gz NUHDUZJPPQMLNP-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332173358 375010797 /nfs/dbraw/zinc/01/07/97/375010797.db2.gz UTCNOSAJEXMYEX-UWVGGRQHSA-N -1 3 284.337 1.838 20 5 CDBDHM CC(C)(CF)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000351781474 375328556 /nfs/dbraw/zinc/32/85/56/375328556.db2.gz ZFJIVVVKOASHDW-UHFFFAOYSA-N -1 3 276.289 1.621 20 5 CDBDHM CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274762711 378928526 /nfs/dbraw/zinc/92/85/26/378928526.db2.gz HAOBEBRRRVELGQ-UHFFFAOYSA-N -1 3 291.307 1.292 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C(=O)[O-] ZINC000262658059 149091556 /nfs/dbraw/zinc/09/15/56/149091556.db2.gz MYHFOWNNTRHUSQ-VIFPVBQESA-N -1 3 282.296 1.898 20 5 CDBDHM CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000311340648 149211452 /nfs/dbraw/zinc/21/14/52/149211452.db2.gz KLSWJQZNJTYEDB-UHFFFAOYSA-N -1 3 298.242 1.912 20 5 CDBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCCN1 ZINC000236582964 280129070 /nfs/dbraw/zinc/12/90/70/280129070.db2.gz JDDSFNNRJKAIGA-SNVBAGLBSA-N -1 3 279.296 1.771 20 5 CDBDHM O=c1[n-]nc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)s1 ZINC000554397559 290157324 /nfs/dbraw/zinc/15/73/24/290157324.db2.gz SWECZJOJCGWXFX-UHFFFAOYSA-N -1 3 288.672 1.015 20 5 CDBDHM Cc1ccc(CN[C@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000340671535 524612064 /nfs/dbraw/zinc/61/20/64/524612064.db2.gz ALVWELGHGPOBKE-CYBMUJFWSA-N -1 3 280.280 1.237 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@](O)(C(=O)[O-])C1 ZINC001600486954 1174487897 /nfs/dbraw/zinc/48/78/97/1174487897.db2.gz IQZKBPNTKQWJFS-CQSZACIVSA-N -1 3 294.307 1.233 20 5 CDBDHM Cc1nnc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])n1C ZINC000753128669 577147792 /nfs/dbraw/zinc/14/77/92/577147792.db2.gz RKPDFZJQHIVLAC-UHFFFAOYSA-N -1 3 279.231 1.423 20 5 CDBDHM O=[N+]([O-])c1ccccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826500562 607891912 /nfs/dbraw/zinc/89/19/12/607891912.db2.gz BZBZIMGJAHDMFQ-UHFFFAOYSA-N -1 3 270.252 1.625 20 5 CDBDHM O=[N+]([O-])c1ccccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826500562 607891913 /nfs/dbraw/zinc/89/19/13/607891913.db2.gz BZBZIMGJAHDMFQ-UHFFFAOYSA-N -1 3 270.252 1.625 20 5 CDBDHM COc1c([O-])ccc(CN2CCO[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000892048359 617442327 /nfs/dbraw/zinc/44/23/27/617442327.db2.gz KEMMGKQCYIFVLX-VHSXEESVSA-N -1 3 296.323 1.918 20 5 CDBDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1ccnc1[N+](=O)[O-] ZINC001605541960 1163604284 /nfs/dbraw/zinc/60/42/84/1163604284.db2.gz SYIVVBLYNMESMP-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1ccnc1[N+](=O)[O-] ZINC001605541960 1163604287 /nfs/dbraw/zinc/60/42/87/1163604287.db2.gz SYIVVBLYNMESMP-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cc(N2CC[C@H](C)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609404686 1164931751 /nfs/dbraw/zinc/93/17/51/1164931751.db2.gz INQIXXRWLGHDSX-QMMMGPOBSA-N -1 3 288.311 1.930 20 5 CDBDHM Cc1cc(N2CC[C@H](C)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609404686 1164931753 /nfs/dbraw/zinc/93/17/53/1164931753.db2.gz INQIXXRWLGHDSX-QMMMGPOBSA-N -1 3 288.311 1.930 20 5 CDBDHM CO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001591475315 1173661211 /nfs/dbraw/zinc/66/12/11/1173661211.db2.gz YYGDBZHXHGLCRF-KYZUINATSA-N -1 3 290.283 1.364 20 5 CDBDHM Cc1cn([C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1[N+](=O)[O-] ZINC001592284971 1173846281 /nfs/dbraw/zinc/84/62/81/1173846281.db2.gz KFUUIFKSFZHGMW-SECBINFHSA-N -1 3 299.294 1.889 20 5 CDBDHM Cc1cn([C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1[N+](=O)[O-] ZINC001592284971 1173846284 /nfs/dbraw/zinc/84/62/84/1173846284.db2.gz KFUUIFKSFZHGMW-SECBINFHSA-N -1 3 299.294 1.889 20 5 CDBDHM Cc1noc(CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1[N+](=O)[O-] ZINC001600812526 1174624741 /nfs/dbraw/zinc/62/47/41/1174624741.db2.gz ISDQFWQFYZTBJP-MFKMUULPSA-N -1 3 295.295 1.720 20 5 CDBDHM COCCCO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000868327112 729876995 /nfs/dbraw/zinc/87/69/95/729876995.db2.gz SCNQGONRMNHPLZ-UHFFFAOYSA-N -1 3 272.232 1.432 20 5 CDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)CC1CC1 ZINC001101473653 936973342 /nfs/dbraw/zinc/97/33/42/936973342.db2.gz HNTJUCDRDNTAOG-UHFFFAOYSA-N -1 3 294.311 1.366 20 5 CDBDHM Cn1cnc2ncnc-2c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815298 925875791 /nfs/dbraw/zinc/87/57/91/925875791.db2.gz ZFLGIWSQPVKRDM-UHFFFAOYSA-N -1 3 286.251 1.672 20 5 CDBDHM O=C(Nc1ccc(Cl)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000113982744 928560943 /nfs/dbraw/zinc/56/09/43/928560943.db2.gz GDLGGVGQCNIQKS-UHFFFAOYSA-N -1 3 294.654 1.996 20 5 CDBDHM Cc1cc(C(=O)[N-]N2CCOC2=O)cc([N+](=O)[O-])c1 ZINC000862700275 929457624 /nfs/dbraw/zinc/45/76/24/929457624.db2.gz SAQJVJKVOYUGFP-UHFFFAOYSA-N -1 3 265.225 1.000 20 5 CDBDHM CCOC(=O)[C@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225663692 941896372 /nfs/dbraw/zinc/89/63/72/941896372.db2.gz FPAGWEVALKNNSZ-IUCAKERBSA-N -1 3 296.279 1.806 20 5 CDBDHM COC(C[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])OC ZINC001228689697 942359254 /nfs/dbraw/zinc/35/92/54/942359254.db2.gz WPRUHVXULLOQHY-ZETCQYMHSA-N -1 3 286.284 1.780 20 5 CDBDHM O=c1[n-]ccc(N2CCC3(CC2)OCCCO3)c1[N+](=O)[O-] ZINC001333725981 958548415 /nfs/dbraw/zinc/54/84/15/958548415.db2.gz OIWPMXDGPWZNRN-UHFFFAOYSA-N -1 3 295.295 1.429 20 5 CDBDHM CN(Cc1cn(C)nc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC001598533602 992819067 /nfs/dbraw/zinc/81/90/67/992819067.db2.gz KLQUVZWYCUGKEX-UHFFFAOYSA-N -1 3 282.300 1.158 20 5 CDBDHM CN[C@H](C)c1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594652870 342933757 /nfs/dbraw/zinc/93/37/57/342933757.db2.gz PXPOGLJKOMAXRB-SSDOTTSWSA-N -1 3 263.257 1.162 20 5 CDBDHM O=c1[n-]ccc(NCCCn2cccn2)c1[N+](=O)[O-] ZINC000596076403 343226402 /nfs/dbraw/zinc/22/64/02/343226402.db2.gz PZTBTJPHBXJZHP-UHFFFAOYSA-N -1 3 263.257 1.394 20 5 CDBDHM CSC[C@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596133912 343239482 /nfs/dbraw/zinc/23/94/82/343239482.db2.gz AWXBLJGZCAAGLN-SNVBAGLBSA-N -1 3 273.314 1.221 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000596142607 343242045 /nfs/dbraw/zinc/24/20/45/343242045.db2.gz UBBDFMXRURSNRZ-SNVBAGLBSA-N -1 3 276.296 1.146 20 5 CDBDHM O=c1[n-]ccc(NCCCOCC2CC2)c1[N+](=O)[O-] ZINC000596061876 343223419 /nfs/dbraw/zinc/22/34/19/343223419.db2.gz LLXLHWBOVJJCMM-UHFFFAOYSA-N -1 3 267.285 1.924 20 5 CDBDHM O=c1[n-]ccc(NCCCOC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000596063343 343223875 /nfs/dbraw/zinc/22/38/75/343223875.db2.gz LTUGNBDQSFMZOZ-SNVBAGLBSA-N -1 3 297.311 1.693 20 5 CDBDHM CC[C@@H](C)C[C@@H](CO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596288242 343288807 /nfs/dbraw/zinc/28/88/07/343288807.db2.gz FKPPGQSCNARLFI-BDAKNGLRSA-N -1 3 269.301 1.904 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1[N+](=O)[O-] ZINC000596290242 343289269 /nfs/dbraw/zinc/28/92/69/343289269.db2.gz MQSZWROQYXBESW-VDAHYXPESA-N -1 3 251.242 1.427 20 5 CDBDHM O=c1[n-]ccc(NCC2(CO)CCCC2)c1[N+](=O)[O-] ZINC000596197675 343262840 /nfs/dbraw/zinc/26/28/40/343262840.db2.gz UOYLSHBBJKQLAO-UHFFFAOYSA-N -1 3 267.285 1.660 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC000566860065 358491478 /nfs/dbraw/zinc/49/14/78/358491478.db2.gz FORYIXVGIIIDOU-SKDRFNHKSA-N -1 3 294.307 1.898 20 5 CDBDHM CCCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000572848603 356967887 /nfs/dbraw/zinc/96/78/87/356967887.db2.gz RIKYQDYYMIVLCQ-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM CN(CCN(C)C1CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186745554 357683517 /nfs/dbraw/zinc/68/35/17/357683517.db2.gz UTXXOVSAVIFIOS-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM COC(=O)CCCO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290779976 358414067 /nfs/dbraw/zinc/41/40/67/358414067.db2.gz WOEYQPMICISLOU-UHFFFAOYSA-N -1 3 296.279 1.138 20 5 CDBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccccn1 ZINC000340078527 359553235 /nfs/dbraw/zinc/55/32/35/359553235.db2.gz MSZIWYTYFNJLDD-UHFFFAOYSA-N -1 3 293.304 1.468 20 5 CDBDHM C[C@H]1CCN(C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000354947447 360326681 /nfs/dbraw/zinc/32/66/81/360326681.db2.gz GIWCMFPSCKUOQB-JTQLQIEISA-N -1 3 293.323 1.467 20 5 CDBDHM O=C1[C@H]([N-]c2ncc([N+](=O)[O-])s2)CN1c1ccccc1 ZINC000367160128 361179639 /nfs/dbraw/zinc/17/96/39/361179639.db2.gz NZOHNIGPIWRSAX-SECBINFHSA-N -1 3 290.304 1.879 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]CC(C)C)cc1[N+](=O)[O-] ZINC000122688160 367681061 /nfs/dbraw/zinc/68/10/61/367681061.db2.gz MAAZNKPIPMVJFS-UHFFFAOYSA-N -1 3 278.355 1.899 20 5 CDBDHM O=C(Nc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016493513 376028741 /nfs/dbraw/zinc/02/87/41/376028741.db2.gz XVLQAEDRKOGMNC-UHFFFAOYSA-N -1 3 259.221 1.535 20 5 CDBDHM COCCO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493037382 253352502 /nfs/dbraw/zinc/35/25/02/253352502.db2.gz FKEYOYXIYIVBPS-HYXAFXHYSA-N -1 3 284.243 1.441 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1C[N-]C(=O)C(C)(F)F ZINC000288580116 197118429 /nfs/dbraw/zinc/11/84/29/197118429.db2.gz NRWIFAXXYNJSJK-UHFFFAOYSA-N -1 3 274.223 1.875 20 5 CDBDHM COCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119470500 147321686 /nfs/dbraw/zinc/32/16/86/147321686.db2.gz QJVVSCOAOFIBRV-UHFFFAOYSA-N -1 3 288.325 1.136 20 5 CDBDHM Cc1cccc([O-])c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000183032084 148284387 /nfs/dbraw/zinc/28/43/87/148284387.db2.gz RDEPROZOQKDHCZ-UHFFFAOYSA-N -1 3 276.252 1.444 20 5 CDBDHM O=C([O-])C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000262683453 149095565 /nfs/dbraw/zinc/09/55/65/149095565.db2.gz WXYSLRSAKQTMDR-UHFFFAOYSA-N -1 3 294.307 1.770 20 5 CDBDHM C[C@@H]1C[C@H](C)N1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590192642 1173288115 /nfs/dbraw/zinc/28/81/15/1173288115.db2.gz VODXJPJKLCZQPB-OCAPTIKFSA-N -1 3 274.284 1.762 20 5 CDBDHM C[C@@H]1C[C@H](C)N1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590192642 1173288119 /nfs/dbraw/zinc/28/81/19/1173288119.db2.gz VODXJPJKLCZQPB-OCAPTIKFSA-N -1 3 274.284 1.762 20 5 CDBDHM CCc1ccc([O-])c(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000126622256 279504719 /nfs/dbraw/zinc/50/47/19/279504719.db2.gz JKYUWYWYOUCMJV-UHFFFAOYSA-N -1 3 276.252 1.838 20 5 CDBDHM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](C)CN1 ZINC000237646704 300194111 /nfs/dbraw/zinc/19/41/11/300194111.db2.gz HPSUGGVFNPZNHF-IUCAKERBSA-N -1 3 279.296 1.123 20 5 CDBDHM CSCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591701099 1173689258 /nfs/dbraw/zinc/68/92/58/1173689258.db2.gz BQVIDARZJWECBD-UHFFFAOYSA-N -1 3 280.313 1.550 20 5 CDBDHM CSCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591701099 1173689260 /nfs/dbraw/zinc/68/92/60/1173689260.db2.gz BQVIDARZJWECBD-UHFFFAOYSA-N -1 3 280.313 1.550 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1c(F)cccc1[N+](=O)[O-])C2 ZINC000567153532 316746598 /nfs/dbraw/zinc/74/65/98/316746598.db2.gz CZYHUPAVXAIDQA-UHFFFAOYSA-N -1 3 290.254 1.792 20 5 CDBDHM O=C([O-])[C@@H](C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000579016279 324085079 /nfs/dbraw/zinc/08/50/79/324085079.db2.gz PNSUTCHDWGSXIC-CYBMUJFWSA-N -1 3 276.292 1.816 20 5 CDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CCC2)cs1 ZINC000768804353 576309073 /nfs/dbraw/zinc/30/90/73/576309073.db2.gz FADCLBXCFMLJHQ-UHFFFAOYSA-N -1 3 276.339 1.735 20 5 CDBDHM O=C([N-]OCC(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000760146398 576459166 /nfs/dbraw/zinc/45/91/66/576459166.db2.gz IRFRQMYKZNEJPB-UHFFFAOYSA-N -1 3 264.159 1.660 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000755280635 576938470 /nfs/dbraw/zinc/93/84/70/576938470.db2.gz FLKRBFVZQLRWLE-UHFFFAOYSA-N -1 3 297.292 1.702 20 5 CDBDHM CC(C)[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820183940 606103512 /nfs/dbraw/zinc/10/35/12/606103512.db2.gz NXKSEXVAWDHUMN-SNVBAGLBSA-N -1 3 292.299 1.204 20 5 CDBDHM CC(C)[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820183940 606103515 /nfs/dbraw/zinc/10/35/15/606103515.db2.gz NXKSEXVAWDHUMN-SNVBAGLBSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001604467473 1163193194 /nfs/dbraw/zinc/19/31/94/1163193194.db2.gz LHSPYUKSFPKRSP-CDMKHQONSA-N -1 3 294.307 1.423 20 5 CDBDHM Cc1nn([C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001606105265 1163773953 /nfs/dbraw/zinc/77/39/53/1163773953.db2.gz SGWFILVGVRJEER-SECBINFHSA-N -1 3 299.294 1.889 20 5 CDBDHM Cc1nn([C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001606105265 1163773957 /nfs/dbraw/zinc/77/39/57/1163773957.db2.gz SGWFILVGVRJEER-SECBINFHSA-N -1 3 299.294 1.889 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCOCC1 ZINC001609600197 1164997932 /nfs/dbraw/zinc/99/79/32/1164997932.db2.gz WHSUOOXXXPSHJL-UHFFFAOYSA-N -1 3 290.283 1.002 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCOCC1 ZINC001609600197 1164997936 /nfs/dbraw/zinc/99/79/36/1164997936.db2.gz WHSUOOXXXPSHJL-UHFFFAOYSA-N -1 3 290.283 1.002 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccnn1 ZINC001609601722 1165002350 /nfs/dbraw/zinc/00/23/50/1165002350.db2.gz WXTRHFLCLCYIRM-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccnn1 ZINC001609601722 1165002354 /nfs/dbraw/zinc/00/23/54/1165002354.db2.gz WXTRHFLCLCYIRM-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590316429 1173352903 /nfs/dbraw/zinc/35/29/03/1173352903.db2.gz MIWNIOFFTPPCCA-BQBZGAKWSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590316429 1173352911 /nfs/dbraw/zinc/35/29/11/1173352911.db2.gz MIWNIOFFTPPCCA-BQBZGAKWSA-N -1 3 275.272 1.015 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1Cn1cc(-c2nnn[n-]2)cn1 ZINC001593483674 1174084219 /nfs/dbraw/zinc/08/42/19/1174084219.db2.gz BSAWTCRWMQHBDX-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1Cn1cc(-c2nn[n-]n2)cn1 ZINC001593483674 1174084222 /nfs/dbraw/zinc/08/42/22/1174084222.db2.gz BSAWTCRWMQHBDX-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM Cc1nccn1CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072699 732307273 /nfs/dbraw/zinc/30/72/73/732307273.db2.gz SNVJTFQSYQBNBO-UHFFFAOYSA-N -1 3 291.263 1.662 20 5 CDBDHM O=C(Nc1nccn1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000839931887 732563204 /nfs/dbraw/zinc/56/32/04/732563204.db2.gz CHZVETIVWNXVTN-UHFFFAOYSA-N -1 3 289.251 1.479 20 5 CDBDHM CC1(C)OC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000695452284 899460317 /nfs/dbraw/zinc/46/03/17/899460317.db2.gz ILPPTEGCKMDXBH-ZETCQYMHSA-N -1 3 269.257 1.259 20 5 CDBDHM CC(C)C[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695453159 899461469 /nfs/dbraw/zinc/46/14/69/899461469.db2.gz GWUSKHLLVNILCE-MRVPVSSYSA-N -1 3 255.274 1.514 20 5 CDBDHM CCC(C)(C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094079791 910316879 /nfs/dbraw/zinc/31/68/79/910316879.db2.gz CFNPEWJEYOLDCH-UHFFFAOYSA-N -1 3 296.327 1.660 20 5 CDBDHM Nc1cc([N+](=O)[O-])cnc1NCc1ncccc1[O-] ZINC001158773904 938662887 /nfs/dbraw/zinc/66/28/87/938662887.db2.gz FVERTQFCTJNUPN-UHFFFAOYSA-N -1 3 261.241 1.285 20 5 CDBDHM Cc1nn(C)cc1[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225659955 941895309 /nfs/dbraw/zinc/89/53/09/941895309.db2.gz ATOCKGPCXVGGDT-QMMMGPOBSA-N -1 3 278.268 1.877 20 5 CDBDHM CC(C)N1CC(Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665603 941897435 /nfs/dbraw/zinc/89/74/35/941897435.db2.gz BZUZWDRASSJNPR-UHFFFAOYSA-N -1 3 253.258 1.167 20 5 CDBDHM CC(C)N1CC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225665603 941897440 /nfs/dbraw/zinc/89/74/40/941897440.db2.gz BZUZWDRASSJNPR-UHFFFAOYSA-N -1 3 253.258 1.167 20 5 CDBDHM O=C([O-])[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774666 958313080 /nfs/dbraw/zinc/31/30/80/958313080.db2.gz FDLAILOCXQTHRD-NSHDSACASA-N -1 3 268.244 1.783 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCC(F)F ZINC001334309087 959014513 /nfs/dbraw/zinc/01/45/13/959014513.db2.gz PLUQYKCDQBXZBO-UHFFFAOYSA-N -1 3 294.279 1.918 20 5 CDBDHM C/C=C(/C)C(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100018952 967220140 /nfs/dbraw/zinc/22/01/40/967220140.db2.gz BSWANTHOTAQADH-WTKPLQERSA-N -1 3 294.311 1.214 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CSCCCO ZINC001593468553 1174080323 /nfs/dbraw/zinc/08/03/23/1174080323.db2.gz OGHAYDMNPJQCFK-UHFFFAOYSA-N -1 3 295.324 1.391 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CSCCCO ZINC001593468553 1174080329 /nfs/dbraw/zinc/08/03/29/1174080329.db2.gz OGHAYDMNPJQCFK-UHFFFAOYSA-N -1 3 295.324 1.391 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCOCC1 ZINC000166908850 342504550 /nfs/dbraw/zinc/50/45/50/342504550.db2.gz AKKGTIUHIQADIO-UHFFFAOYSA-N -1 3 286.309 1.052 20 5 CDBDHM CN(CCN(C)C1CC1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592977349 342754643 /nfs/dbraw/zinc/75/46/43/342754643.db2.gz RPPJMAOOMROJFX-UHFFFAOYSA-N -1 3 294.311 1.218 20 5 CDBDHM CN(C[C@@H]1CCOC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596151815 343245779 /nfs/dbraw/zinc/24/57/79/343245779.db2.gz AWIDEFSBNHVFBI-QMMMGPOBSA-N -1 3 253.258 1.168 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000596156749 343247723 /nfs/dbraw/zinc/24/77/23/343247723.db2.gz RZZPGDOODUSKLJ-NSHDSACASA-N -1 3 291.263 1.866 20 5 CDBDHM Cc1c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cnn1C ZINC000596181310 343250074 /nfs/dbraw/zinc/25/00/74/343250074.db2.gz ZPGAQJOWCXDNFY-UHFFFAOYSA-N -1 3 263.257 1.349 20 5 CDBDHM O=c1[n-]ccc(NCCCOC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000596063342 343223924 /nfs/dbraw/zinc/22/39/24/343223924.db2.gz LTUGNBDQSFMZOZ-JTQLQIEISA-N -1 3 297.311 1.693 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000596172634 343259828 /nfs/dbraw/zinc/25/98/28/343259828.db2.gz WHWGTYRLHHTVLX-VHSXEESVSA-N -1 3 279.296 1.558 20 5 CDBDHM CCOC(=O)C[C@@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596177488 343261176 /nfs/dbraw/zinc/26/11/76/343261176.db2.gz DORKRQOLVGXAEJ-MRVPVSSYSA-N -1 3 283.284 1.697 20 5 CDBDHM CO[C@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596221257 343270568 /nfs/dbraw/zinc/27/05/68/343270568.db2.gz DMMXSEVHSWITBX-GFCCVEGCSA-N -1 3 267.285 1.701 20 5 CDBDHM C[C@@H](CCCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596250516 343274392 /nfs/dbraw/zinc/27/43/92/343274392.db2.gz RVXQNLNZKRHFLE-QMMMGPOBSA-N -1 3 255.274 1.516 20 5 CDBDHM CCc1nc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])n[nH]1 ZINC000192772310 529699393 /nfs/dbraw/zinc/69/93/93/529699393.db2.gz APUQZHXICPRENC-UHFFFAOYSA-N -1 3 291.267 1.536 20 5 CDBDHM COCC[C@@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596269507 343281464 /nfs/dbraw/zinc/28/14/64/343281464.db2.gz CXRMJWMFVXRQKI-MRVPVSSYSA-N -1 3 255.274 1.780 20 5 CDBDHM CCN(Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000609707944 345991420 /nfs/dbraw/zinc/99/14/20/345991420.db2.gz PZHSNEALUCWQPW-VIFPVBQESA-N -1 3 252.270 1.890 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]CCCCO)cc1[N+](=O)[O-] ZINC000341482939 357534601 /nfs/dbraw/zinc/53/46/01/357534601.db2.gz GBHVUEPOAMNWES-UHFFFAOYSA-N -1 3 294.354 1.016 20 5 CDBDHM Cc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000189435178 358011031 /nfs/dbraw/zinc/01/10/31/358011031.db2.gz BZIMTIPDZRQWAI-SNVBAGLBSA-N -1 3 295.295 1.993 20 5 CDBDHM O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000060665196 358168037 /nfs/dbraw/zinc/16/80/37/358168037.db2.gz WJKJEAGMSOWKHB-UHFFFAOYSA-N -1 3 293.323 1.516 20 5 CDBDHM C[C@@H](CC(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000571346105 359568593 /nfs/dbraw/zinc/56/85/93/359568593.db2.gz YFWYLOHDAWFPDR-VIFPVBQESA-N -1 3 252.270 1.890 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1NC([O-])=NOC(C)(C)CO ZINC000296960661 200046619 /nfs/dbraw/zinc/04/66/19/200046619.db2.gz RRXBOQDXKNKKCP-UHFFFAOYSA-N -1 3 299.283 1.427 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)[N-]OC(C)(C)CO ZINC000296960661 200046621 /nfs/dbraw/zinc/04/66/21/200046621.db2.gz RRXBOQDXKNKKCP-UHFFFAOYSA-N -1 3 299.283 1.427 20 5 CDBDHM CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000354759719 360111264 /nfs/dbraw/zinc/11/12/64/360111264.db2.gz GUINJWOVNWUYEH-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000354759719 360111269 /nfs/dbraw/zinc/11/12/69/360111269.db2.gz GUINJWOVNWUYEH-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC000354759719 360111271 /nfs/dbraw/zinc/11/12/71/360111271.db2.gz GUINJWOVNWUYEH-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CCN(CC)C(=O)CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596056090 360782741 /nfs/dbraw/zinc/78/27/41/360782741.db2.gz XJTNPAZMHOGBFF-UHFFFAOYSA-N -1 3 282.300 1.000 20 5 CDBDHM Cc1nn(Cc2cc(=O)[n-]c(C3CC3)n2)c(C)c1[N+](=O)[O-] ZINC000412987138 240465415 /nfs/dbraw/zinc/46/54/15/240465415.db2.gz VTNRLBKJHKHZPA-UHFFFAOYSA-N -1 3 289.295 1.829 20 5 CDBDHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416551621 242047662 /nfs/dbraw/zinc/04/76/62/242047662.db2.gz SKURUNXQBZXLGF-VHSXEESVSA-N -1 3 284.337 1.918 20 5 CDBDHM C[C@@H]1C[C@H](CO)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420945764 374306773 /nfs/dbraw/zinc/30/67/73/374306773.db2.gz SCEVYVBIPCOQBI-MNOVXSKESA-N -1 3 280.324 1.751 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332173360 375011098 /nfs/dbraw/zinc/01/10/98/375011098.db2.gz UTCNOSAJEXMYEX-ZJUUUORDSA-N -1 3 284.337 1.838 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC=CC1 ZINC000132157539 375406819 /nfs/dbraw/zinc/40/68/19/375406819.db2.gz SSLGWOWZLRYAIA-UHFFFAOYSA-N -1 3 282.321 1.900 20 5 CDBDHM Cc1nn([C@@H](C)c2nc(C)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000294229710 375800817 /nfs/dbraw/zinc/80/08/17/375800817.db2.gz OFENTSJMVIGESH-QMMMGPOBSA-N -1 3 263.257 1.513 20 5 CDBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]O[C@H]1CCOC1 ZINC000492502459 253233791 /nfs/dbraw/zinc/23/37/91/253233791.db2.gz LGFCLESZFDLYMQ-ITKZLYELSA-N -1 3 278.264 1.445 20 5 CDBDHM COCc1nnc(Sc2nc(C)ccc2[N+](=O)[O-])[n-]1 ZINC000268847421 132076089 /nfs/dbraw/zinc/07/60/89/132076089.db2.gz XFMMCQVNHQZGQS-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM COCc1n[n-]c(Sc2nc(C)ccc2[N+](=O)[O-])n1 ZINC000268847421 132076091 /nfs/dbraw/zinc/07/60/91/132076091.db2.gz XFMMCQVNHQZGQS-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM COCc1nc(Sc2nc(C)ccc2[N+](=O)[O-])n[n-]1 ZINC000268847421 132076092 /nfs/dbraw/zinc/07/60/92/132076092.db2.gz XFMMCQVNHQZGQS-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM Cc1cc(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)[nH]n1C(C)C ZINC000422083682 392952155 /nfs/dbraw/zinc/95/21/55/392952155.db2.gz WVHVVDCAZGBSTP-UHFFFAOYSA-N -1 3 278.272 1.078 20 5 CDBDHM Cc1cc(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)[nH]n1C(C)C ZINC000422083682 392952161 /nfs/dbraw/zinc/95/21/61/392952161.db2.gz WVHVVDCAZGBSTP-UHFFFAOYSA-N -1 3 278.272 1.078 20 5 CDBDHM O=C(Nc1cccc(CO)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188068435 140088254 /nfs/dbraw/zinc/08/82/54/140088254.db2.gz FSAXIPMFLZNBJC-UHFFFAOYSA-N -1 3 289.247 1.440 20 5 CDBDHM O=[N+]([O-])c1cnn(CC[S@@](=O)c2cccc([O-])c2)c1 ZINC000184053892 148327006 /nfs/dbraw/zinc/32/70/06/148327006.db2.gz VMTVCCQMLQTOLA-LJQANCHMSA-N -1 3 281.293 1.305 20 5 CDBDHM C[C@@H]1C[C@H](C)N1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590191685 1173288150 /nfs/dbraw/zinc/28/81/50/1173288150.db2.gz RWZFKVOKCZXZCL-OCAPTIKFSA-N -1 3 274.284 1.762 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccccc1[N+](=O)[O-] ZINC000522251806 270577993 /nfs/dbraw/zinc/57/79/93/270577993.db2.gz DCDGXWUUQRVMOL-SECBINFHSA-N -1 3 262.269 1.519 20 5 CDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1c([O-])cccc1O ZINC000092120237 279289834 /nfs/dbraw/zinc/28/98/34/279289834.db2.gz LPYLCEGZCFAPBC-UHFFFAOYSA-N -1 3 288.259 1.936 20 5 CDBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCCN1 ZINC000236582505 280128990 /nfs/dbraw/zinc/12/89/90/280128990.db2.gz JDDSFNNRJKAIGA-JTQLQIEISA-N -1 3 279.296 1.771 20 5 CDBDHM Cc1noc([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000049175776 526639362 /nfs/dbraw/zinc/63/93/62/526639362.db2.gz BNIFOAJVTKXASD-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC(F)(F)F)c1 ZINC000766765340 575103081 /nfs/dbraw/zinc/10/30/81/575103081.db2.gz MXHPZBFDOODXEL-UHFFFAOYSA-N -1 3 294.185 1.827 20 5 CDBDHM C[C@@H](O)C(C)(C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824677978 608098478 /nfs/dbraw/zinc/09/84/78/608098478.db2.gz JUTJJROHRHZBIX-SSDOTTSWSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](O)C(C)(C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824677978 608098479 /nfs/dbraw/zinc/09/84/79/608098479.db2.gz JUTJJROHRHZBIX-SSDOTTSWSA-N -1 3 292.299 1.346 20 5 CDBDHM COc1c([O-])ccc(CN2CCO[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000892048360 617441842 /nfs/dbraw/zinc/44/18/42/617441842.db2.gz KEMMGKQCYIFVLX-ZJUUUORDSA-N -1 3 296.323 1.918 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C=CCCC1 ZINC001607079971 1164070864 /nfs/dbraw/zinc/07/08/64/1164070864.db2.gz FEVBUSQBNCJONC-SECBINFHSA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C=CCCC1 ZINC001607079971 1164070869 /nfs/dbraw/zinc/07/08/69/1164070869.db2.gz FEVBUSQBNCJONC-SECBINFHSA-N -1 3 287.283 1.691 20 5 CDBDHM C[C@@H]1CC[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609163029 1164809357 /nfs/dbraw/zinc/80/93/57/1164809357.db2.gz QBDBLGLLMKAIJF-VXNVDRBHSA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@@H]1CC[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609163029 1164809362 /nfs/dbraw/zinc/80/93/62/1164809362.db2.gz QBDBLGLLMKAIJF-VXNVDRBHSA-N -1 3 274.284 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCCC1 ZINC001609600968 1164999845 /nfs/dbraw/zinc/99/98/45/1164999845.db2.gz LPTJNXGYTNTNIV-UHFFFAOYSA-N -1 3 260.257 1.375 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCCC1 ZINC001609600968 1164999850 /nfs/dbraw/zinc/99/98/50/1164999850.db2.gz LPTJNXGYTNTNIV-UHFFFAOYSA-N -1 3 260.257 1.375 20 5 CDBDHM CC(C)(CO)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589299356 1173133515 /nfs/dbraw/zinc/13/35/15/1173133515.db2.gz LFAZMNQKZUTYOQ-UHFFFAOYSA-N -1 3 292.299 1.205 20 5 CDBDHM C[C@H]1CCCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590263816 1173323359 /nfs/dbraw/zinc/32/33/59/1173323359.db2.gz GZLFVSOTKPEJMH-QMMMGPOBSA-N -1 3 274.284 1.764 20 5 CDBDHM C[C@H]1CCCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590263816 1173323365 /nfs/dbraw/zinc/32/33/65/1173323365.db2.gz GZLFVSOTKPEJMH-QMMMGPOBSA-N -1 3 274.284 1.764 20 5 CDBDHM Cc1cc(N2CC[C@@H](F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592009126 1173771574 /nfs/dbraw/zinc/77/15/74/1173771574.db2.gz SFYGGIKJQVRTLY-MRVPVSSYSA-N -1 3 292.274 1.632 20 5 CDBDHM Cc1cc(N2CC[C@@H](F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592009126 1173771579 /nfs/dbraw/zinc/77/15/79/1173771579.db2.gz SFYGGIKJQVRTLY-MRVPVSSYSA-N -1 3 292.274 1.632 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@@H]2C[C@@H]21 ZINC001593469534 1174078381 /nfs/dbraw/zinc/07/83/81/1174078381.db2.gz UTHUDSVDXAWAHR-MUWHJKNJSA-N -1 3 290.258 1.513 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@@H]2C[C@@H]21 ZINC001593469534 1174078388 /nfs/dbraw/zinc/07/83/88/1174078388.db2.gz UTHUDSVDXAWAHR-MUWHJKNJSA-N -1 3 290.258 1.513 20 5 CDBDHM O=[N+]([O-])c1cc(NCc2ccncc2)ccc1-c1nnn[n-]1 ZINC001593474525 1174082114 /nfs/dbraw/zinc/08/21/14/1174082114.db2.gz ROALDHGPOIQRQO-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1ccoc1 ZINC001593471376 1174083077 /nfs/dbraw/zinc/08/30/77/1174083077.db2.gz PZGVQNBAAKDDEJ-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1ccoc1 ZINC001593471376 1174083080 /nfs/dbraw/zinc/08/30/80/1174083080.db2.gz PZGVQNBAAKDDEJ-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(F)F ZINC001603681741 1175595061 /nfs/dbraw/zinc/59/50/61/1175595061.db2.gz LMPPJIUSCGHNRB-RXMQYKEDSA-N -1 3 284.226 1.840 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(F)F ZINC001603681741 1175595068 /nfs/dbraw/zinc/59/50/68/1175595068.db2.gz LMPPJIUSCGHNRB-RXMQYKEDSA-N -1 3 284.226 1.840 20 5 CDBDHM Nc1ccc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000804567693 735331647 /nfs/dbraw/zinc/33/16/47/735331647.db2.gz WNEGDYPZSHBMNM-UHFFFAOYSA-N -1 3 287.279 1.235 20 5 CDBDHM O=C([N-]N1CCCNC1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000783606222 735385070 /nfs/dbraw/zinc/38/50/70/735385070.db2.gz PUPGQQVPGZWTLS-UHFFFAOYSA-N -1 3 298.686 1.308 20 5 CDBDHM C[C@@H](CF)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000885410381 734673779 /nfs/dbraw/zinc/67/37/79/734673779.db2.gz KYZKGPHAHDTGAS-YFKPBYRVSA-N -1 3 268.291 1.293 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(CF)CF)cc1 ZINC000885421248 735639083 /nfs/dbraw/zinc/63/90/83/735639083.db2.gz BMPHXANTYPSBNO-UHFFFAOYSA-N -1 3 280.252 1.181 20 5 CDBDHM O=[N+]([O-])c1c(Cl)ncnc1NCc1ncccc1[O-] ZINC001169727073 928351370 /nfs/dbraw/zinc/35/13/70/928351370.db2.gz MZKVPFWFSHNUOL-UHFFFAOYSA-N -1 3 281.659 1.751 20 5 CDBDHM CCCC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097142223 936270655 /nfs/dbraw/zinc/27/06/55/936270655.db2.gz QORKZKGCVXDNSL-DTORHVGOSA-N -1 3 294.311 1.555 20 5 CDBDHM CC1(C)OC[C@H](COc2nccc([O-])c2[N+](=O)[O-])O1 ZINC001225660391 941895293 /nfs/dbraw/zinc/89/52/93/941895293.db2.gz DBZVDDLQQBWMSN-ZETCQYMHSA-N -1 3 270.241 1.226 20 5 CDBDHM O=c1ccc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n[n-]1 ZINC001227094734 942131046 /nfs/dbraw/zinc/13/10/46/942131046.db2.gz JERXVZYFXNPIPU-NSHDSACASA-N -1 3 273.248 1.637 20 5 CDBDHM CCCOC(=O)[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687219 942357893 /nfs/dbraw/zinc/35/78/93/942357893.db2.gz UTUALFITIJSRGA-MRVPVSSYSA-N -1 3 284.268 1.724 20 5 CDBDHM C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)CCC(=O)[O-] ZINC001254546439 947517842 /nfs/dbraw/zinc/51/78/42/947517842.db2.gz FTVIPXODPDLMMT-SNVBAGLBSA-N -1 3 294.307 1.549 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001327687287 954999713 /nfs/dbraw/zinc/99/97/13/954999713.db2.gz GEGWLAURZSJRSP-KOLCDFICSA-N -1 3 279.296 1.701 20 5 CDBDHM O=c1[n-]ccc(NCCC2CSC2)c1[N+](=O)[O-] ZINC001337366519 961142887 /nfs/dbraw/zinc/14/28/87/961142887.db2.gz SNIHNLZORUDBTC-UHFFFAOYSA-N -1 3 255.299 1.860 20 5 CDBDHM COc1cccnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000608814102 342050929 /nfs/dbraw/zinc/05/09/29/342050929.db2.gz PVIFEUAFRJIULO-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000592356869 342688415 /nfs/dbraw/zinc/68/84/15/342688415.db2.gz IYSLLEJAJTYANK-JTQLQIEISA-N -1 3 276.252 1.775 20 5 CDBDHM COc1cc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000595279020 343022257 /nfs/dbraw/zinc/02/22/57/343022257.db2.gz AQDDUIWQAVFCCJ-PHIMTYICSA-N -1 3 294.307 1.898 20 5 CDBDHM O=c1[n-]ccc(NCCCn2ccnc2)c1[N+](=O)[O-] ZINC000596051453 343221451 /nfs/dbraw/zinc/22/14/51/343221451.db2.gz RQBWQGYWIVZOSX-UHFFFAOYSA-N -1 3 263.257 1.394 20 5 CDBDHM CC(C)CO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596157727 343254654 /nfs/dbraw/zinc/25/46/54/343254654.db2.gz CZFJDTJSQNOVIR-SNVBAGLBSA-N -1 3 281.312 1.947 20 5 CDBDHM CN(C[C@@H]1CCCOC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596125053 343236753 /nfs/dbraw/zinc/23/67/53/343236753.db2.gz YGNLXDGZBIQSRC-VIFPVBQESA-N -1 3 267.285 1.558 20 5 CDBDHM CC[C@@H](CCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596163326 343256726 /nfs/dbraw/zinc/25/67/26/343256726.db2.gz KKSJOPAQPQHCJM-QMMMGPOBSA-N -1 3 255.274 1.516 20 5 CDBDHM CC1(C)[C@@H](O)C[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596200900 343263766 /nfs/dbraw/zinc/26/37/66/343263766.db2.gz PUPCFMNCSHFGMX-YUMQZZPRSA-N -1 3 253.258 1.267 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000596217342 343269172 /nfs/dbraw/zinc/26/91/72/343269172.db2.gz JQNROYGRNVRJFI-TVQRCGJNSA-N -1 3 295.295 1.080 20 5 CDBDHM CO[C@@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596221258 343270538 /nfs/dbraw/zinc/27/05/38/343270538.db2.gz DMMXSEVHSWITBX-LBPRGKRZSA-N -1 3 267.285 1.701 20 5 CDBDHM C[C@H](CCCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596250515 343274503 /nfs/dbraw/zinc/27/45/03/343274503.db2.gz RVXQNLNZKRHFLE-MRVPVSSYSA-N -1 3 255.274 1.516 20 5 CDBDHM O=c1[n-]ccc(N[C@H]([C@@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000596265812 343279790 /nfs/dbraw/zinc/27/97/90/343279790.db2.gz QIHKAUJSAVQBNU-JQWIXIFHSA-N -1 3 293.323 1.904 20 5 CDBDHM COCCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596276608 343296050 /nfs/dbraw/zinc/29/60/50/343296050.db2.gz FUSJLOHNTHUUAR-UHFFFAOYSA-N -1 3 255.274 1.558 20 5 CDBDHM CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966671 362163282 /nfs/dbraw/zinc/16/32/82/362163282.db2.gz ONLSYPSEKTXBBP-UHFFFAOYSA-N -1 3 295.339 1.714 20 5 CDBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc([N+](=O)[O-])n[nH]1 ZINC000140248112 342434238 /nfs/dbraw/zinc/43/42/38/342434238.db2.gz VTNJALXODGNMGD-UHFFFAOYSA-N -1 3 282.643 1.929 20 5 CDBDHM COc1ccc(S(=O)(=O)[N-]CC(C)C)c([N+](=O)[O-])c1 ZINC000023390824 359112531 /nfs/dbraw/zinc/11/25/31/359112531.db2.gz JURHUEPIMVUANA-UHFFFAOYSA-N -1 3 288.325 1.538 20 5 CDBDHM CCO[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000048421636 359206118 /nfs/dbraw/zinc/20/61/18/359206118.db2.gz XAZDEMOHQXCGTL-UHFFFAOYSA-N -1 3 270.241 1.293 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000297356015 200159982 /nfs/dbraw/zinc/15/99/82/200159982.db2.gz YNLLEALQWNBMMU-UHFFFAOYSA-N -1 3 282.296 1.346 20 5 CDBDHM COCCCO[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493220815 375426822 /nfs/dbraw/zinc/42/68/22/375426822.db2.gz OGYITBARVBMBMQ-GQCTYLIASA-N -1 3 298.270 1.831 20 5 CDBDHM O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCn2c3ccccc3nc21 ZINC000505235683 254084144 /nfs/dbraw/zinc/08/41/44/254084144.db2.gz OCYIERGDIIUTLR-UHFFFAOYSA-N -1 3 298.262 1.328 20 5 CDBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000361868967 159005199 /nfs/dbraw/zinc/00/51/99/159005199.db2.gz QFCUUEVCWFESCI-UHFFFAOYSA-N -1 3 290.235 1.351 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C(=O)[O-] ZINC000035303914 172118928 /nfs/dbraw/zinc/11/89/28/172118928.db2.gz QOPUUMAIZPYDCR-LLVKDONJSA-N -1 3 280.280 1.652 20 5 CDBDHM CC[C@](C)(CO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590382213 1173382435 /nfs/dbraw/zinc/38/24/35/1173382435.db2.gz MPKXJPXVGQPZAC-GFCCVEGCSA-N -1 3 292.299 1.348 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000301807412 280368272 /nfs/dbraw/zinc/36/82/72/280368272.db2.gz WLDDHDKOOSNFCS-UHFFFAOYSA-N -1 3 272.264 1.653 20 5 CDBDHM CN(C)c1ncncc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000150709622 522383925 /nfs/dbraw/zinc/38/39/25/522383925.db2.gz DCOOARGSHTYAIA-UHFFFAOYSA-N -1 3 277.240 1.296 20 5 CDBDHM CN1CCC(ONC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000774289818 575194928 /nfs/dbraw/zinc/19/49/28/575194928.db2.gz DTSBKESLGPQDQT-UHFFFAOYSA-N -1 3 295.295 1.056 20 5 CDBDHM CCC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736434377 575659927 /nfs/dbraw/zinc/65/99/27/575659927.db2.gz FYJILGWEANNUIK-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736434377 575659930 /nfs/dbraw/zinc/65/99/30/575659930.db2.gz FYJILGWEANNUIK-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CO[C@H](C)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609309267 1164890479 /nfs/dbraw/zinc/89/04/79/1164890479.db2.gz YGVQLKPMQUWTDP-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM CO[C@H](C)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609309267 1164890488 /nfs/dbraw/zinc/89/04/88/1164890488.db2.gz YGVQLKPMQUWTDP-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM CO[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609309203 1164891677 /nfs/dbraw/zinc/89/16/77/1164891677.db2.gz WUZFWNKNKCRTPU-QMMMGPOBSA-N -1 3 292.299 1.246 20 5 CDBDHM CC1(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590126324 1173265115 /nfs/dbraw/zinc/26/51/15/1173265115.db2.gz CBIJHSLCKSXXQV-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM CC1(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590126324 1173265119 /nfs/dbraw/zinc/26/51/19/1173265119.db2.gz CBIJHSLCKSXXQV-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM C[C@H]1C[C@H](C)N1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590191688 1173285869 /nfs/dbraw/zinc/28/58/69/1173285869.db2.gz RWZFKVOKCZXZCL-YUMQZZPRSA-N -1 3 274.284 1.762 20 5 CDBDHM Cc1cc(N2C[C@@H](C)[C@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591998981 1173770031 /nfs/dbraw/zinc/77/00/31/1173770031.db2.gz LPVXGOBQZFQWHR-RKDXNWHRSA-N -1 3 288.311 1.928 20 5 CDBDHM Cc1cc(N2C[C@@H](C)[C@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591998981 1173770034 /nfs/dbraw/zinc/77/00/34/1173770034.db2.gz LPVXGOBQZFQWHR-RKDXNWHRSA-N -1 3 288.311 1.928 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1CSC1 ZINC001593475736 1174081424 /nfs/dbraw/zinc/08/14/24/1174081424.db2.gz SOINCAUIPCJBLY-UHFFFAOYSA-N -1 3 292.324 1.550 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1CSC1 ZINC001593475736 1174081431 /nfs/dbraw/zinc/08/14/31/1174081431.db2.gz SOINCAUIPCJBLY-UHFFFAOYSA-N -1 3 292.324 1.550 20 5 CDBDHM CC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609184084 1164824128 /nfs/dbraw/zinc/82/41/28/1164824128.db2.gz PGRLKFPQOVPUGJ-GFCCVEGCSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609184084 1164824132 /nfs/dbraw/zinc/82/41/32/1164824132.db2.gz PGRLKFPQOVPUGJ-GFCCVEGCSA-N -1 3 292.299 1.348 20 5 CDBDHM COC(=O)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1C ZINC000853524662 736397105 /nfs/dbraw/zinc/39/71/05/736397105.db2.gz ZUNGXAASTYTERU-SFYZADRCSA-N -1 3 281.268 1.083 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OC/C=C\Cl ZINC000812406962 737192589 /nfs/dbraw/zinc/19/25/89/737192589.db2.gz GSHSGYJXQJEWLZ-DJWKRKHSSA-N -1 3 270.672 1.938 20 5 CDBDHM CC(C)[C@H](N)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000843147964 737826418 /nfs/dbraw/zinc/82/64/18/737826418.db2.gz JWNPQYUFFAXCGP-QMMMGPOBSA-N -1 3 251.246 1.629 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3C[C@@H](O)C3)[n-]c2c1 ZINC001218432528 898916847 /nfs/dbraw/zinc/91/68/47/898916847.db2.gz CULJIAAGUCYLDG-OTSSQURYSA-N -1 3 263.253 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3C[C@@H](O)C3)nc2c1 ZINC001218432528 898916854 /nfs/dbraw/zinc/91/68/54/898916854.db2.gz CULJIAAGUCYLDG-OTSSQURYSA-N -1 3 263.253 1.621 20 5 CDBDHM Nc1ccnc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC001169731277 928393000 /nfs/dbraw/zinc/39/30/00/928393000.db2.gz MPACWSKKXSBGKC-UHFFFAOYSA-N -1 3 261.241 1.285 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@@H]1CCCCO1 ZINC001225666663 941897375 /nfs/dbraw/zinc/89/73/75/941897375.db2.gz KLQPHJLZIJGZJA-QMMMGPOBSA-N -1 3 254.242 1.643 20 5 CDBDHM COC(=O)[C@@H]1CCC[C@@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687727 942357097 /nfs/dbraw/zinc/35/70/97/942357097.db2.gz ACOMLUXJKNDUAM-BDAKNGLRSA-N -1 3 296.279 1.724 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC001228689341 942359173 /nfs/dbraw/zinc/35/91/73/942359173.db2.gz RUCGPNPUPDESEV-VXNVDRBHSA-N -1 3 268.269 1.950 20 5 CDBDHM COc1c([O-])ccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001594048554 957958351 /nfs/dbraw/zinc/95/83/51/957958351.db2.gz SDHFGHJTXIRAIS-DTORHVGOSA-N -1 3 296.279 1.262 20 5 CDBDHM CC(COC(=O)c1cc(C(=O)[O-])ccc1Cl)[N+](=O)[O-] ZINC001592771399 979387493 /nfs/dbraw/zinc/38/74/93/979387493.db2.gz FLDFGCOHWXCEDE-ZCFIWIBFSA-N -1 3 287.655 1.860 20 5 CDBDHM CC(COC(=O)c1cc(F)cc(C(=O)[O-])c1)[N+](=O)[O-] ZINC001592772699 979393897 /nfs/dbraw/zinc/39/38/97/979393897.db2.gz TUWNXOOQIUFFNX-LURJTMIESA-N -1 3 271.200 1.346 20 5 CDBDHM C[C@H]1OCC[C@@]1(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594640782 986790794 /nfs/dbraw/zinc/79/07/94/986790794.db2.gz UCZONUOTHWOQEA-YMTOWFKASA-N -1 3 294.307 1.950 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H](C)C(=O)[O-] ZINC000593730607 342830240 /nfs/dbraw/zinc/83/02/40/342830240.db2.gz OXYZOVCIOOYHPF-RKDXNWHRSA-N -1 3 282.296 1.802 20 5 CDBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000584622145 539101493 /nfs/dbraw/zinc/10/14/93/539101493.db2.gz XKVFRDKDUBFLAY-UHFFFAOYSA-N -1 3 253.258 1.311 20 5 CDBDHM C[C@@H](Cn1cccn1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596078260 343227064 /nfs/dbraw/zinc/22/70/64/343227064.db2.gz UPUMNKQIIYKFKB-QMMMGPOBSA-N -1 3 263.257 1.393 20 5 CDBDHM CO[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596154416 343246864 /nfs/dbraw/zinc/24/68/64/343246864.db2.gz JLWYDNBFTOIIAU-BDAKNGLRSA-N -1 3 267.285 1.921 20 5 CDBDHM CC[C@@H](C)[C@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123989 343248937 /nfs/dbraw/zinc/24/89/37/343248937.db2.gz QKXWQVDZADALRW-PRHODGIISA-N -1 3 269.301 1.904 20 5 CDBDHM CC(C)[C@@H](O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596186354 343251712 /nfs/dbraw/zinc/25/17/12/343251712.db2.gz ROBKKUPUUHMUTN-LLVKDONJSA-N -1 3 281.312 1.904 20 5 CDBDHM C[C@@H](CN(C)c1c(Cl)cncc1[N+](=O)[O-])c1nnn[n-]1 ZINC000596193030 343253592 /nfs/dbraw/zinc/25/35/92/343253592.db2.gz ISSXYOWBLWBEFC-LURJTMIESA-N -1 3 297.706 1.396 20 5 CDBDHM C[C@@H](CN(C)c1c(Cl)cncc1[N+](=O)[O-])c1nn[n-]n1 ZINC000596193030 343253594 /nfs/dbraw/zinc/25/35/94/343253594.db2.gz ISSXYOWBLWBEFC-LURJTMIESA-N -1 3 297.706 1.396 20 5 CDBDHM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596177581 343261617 /nfs/dbraw/zinc/26/16/17/343261617.db2.gz NDAPWMANTZNMFA-YUMQZZPRSA-N -1 3 280.284 1.022 20 5 CDBDHM C[C@@H](Cc1cnn(C)c1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596258828 343277162 /nfs/dbraw/zinc/27/71/62/343277162.db2.gz XKNPDGQBKKYCRO-QMMMGPOBSA-N -1 3 277.284 1.472 20 5 CDBDHM CC1CC(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598622661 343846335 /nfs/dbraw/zinc/84/63/35/343846335.db2.gz LHXOHKRJXVLSSB-UHFFFAOYSA-N -1 3 284.337 1.919 20 5 CDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000610005461 346057026 /nfs/dbraw/zinc/05/70/26/346057026.db2.gz SDBYZFIROZDYSK-UHFFFAOYSA-N -1 3 296.308 1.105 20 5 CDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC000610005461 346057029 /nfs/dbraw/zinc/05/70/29/346057029.db2.gz SDBYZFIROZDYSK-UHFFFAOYSA-N -1 3 296.308 1.105 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000085819564 179182824 /nfs/dbraw/zinc/18/28/24/179182824.db2.gz YGMOGTWWMWGGPC-VIFPVBQESA-N -1 3 281.268 1.034 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]OC[C@H](C)CC)c1[N+](=O)[O-] ZINC000293721991 363202040 /nfs/dbraw/zinc/20/20/40/363202040.db2.gz MQSSWCZVGHZSSV-SSDOTTSWSA-N -1 3 270.289 1.588 20 5 CDBDHM CCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000037022676 363314545 /nfs/dbraw/zinc/31/45/45/363314545.db2.gz RPTAEYWIIIFKOU-UHFFFAOYSA-N -1 3 274.298 1.292 20 5 CDBDHM CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000186734295 357681516 /nfs/dbraw/zinc/68/15/16/357681516.db2.gz CYAKGFYFCPGAIZ-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H](C)c1nnn[n-]1 ZINC000095320510 359748585 /nfs/dbraw/zinc/74/85/85/359748585.db2.gz CDLJUWKZZIAMRX-QMMMGPOBSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H](C)c1nn[n-]n1 ZINC000095320510 359748589 /nfs/dbraw/zinc/74/85/89/359748589.db2.gz CDLJUWKZZIAMRX-QMMMGPOBSA-N -1 3 277.288 1.051 20 5 CDBDHM CC1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000267728945 361385114 /nfs/dbraw/zinc/38/51/14/361385114.db2.gz JYGIPXMZFMKSLY-UHFFFAOYSA-N -1 3 288.300 1.811 20 5 CDBDHM O=C([N-]O[C@H]1CCCCO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000170627676 364439488 /nfs/dbraw/zinc/43/94/88/364439488.db2.gz GQBIMCROOPGDFQ-NSHDSACASA-N -1 3 284.243 1.922 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000411992894 239898674 /nfs/dbraw/zinc/89/86/74/239898674.db2.gz XNJBOYRAUFYNAQ-GWCFXTLKSA-N -1 3 296.323 1.178 20 5 CDBDHM CC[C@H](N)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420255071 374293560 /nfs/dbraw/zinc/29/35/60/374293560.db2.gz BCLRBKRPMONJJA-VIFPVBQESA-N -1 3 277.284 1.216 20 5 CDBDHM N[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000424172219 246368926 /nfs/dbraw/zinc/36/89/26/246368926.db2.gz DBFUALULGVBYJG-NTSWFWBYSA-N -1 3 271.660 1.240 20 5 CDBDHM COc1cc([O-])cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000357522853 375915061 /nfs/dbraw/zinc/91/50/61/375915061.db2.gz SACRDIOFDVLCPD-UHFFFAOYSA-N -1 3 277.236 1.889 20 5 CDBDHM Cc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)n1C ZINC000345374496 378293899 /nfs/dbraw/zinc/29/38/99/378293899.db2.gz MJPLUNDGOUZTOM-UHFFFAOYSA-N -1 3 267.270 1.346 20 5 CDBDHM CSc1cccc(C(=O)[N-]c2nc[nH]n2)c1[N+](=O)[O-] ZINC000188041740 140086153 /nfs/dbraw/zinc/08/61/53/140086153.db2.gz XDDHQWRFHWNOEI-UHFFFAOYSA-N -1 3 279.281 1.687 20 5 CDBDHM Cc1nc([N-]C(=O)c2csc([N+](=O)[O-])c2)nn1C ZINC000355815617 157250101 /nfs/dbraw/zinc/25/01/01/157250101.db2.gz WXQPBGZYOYSUEF-UHFFFAOYSA-N -1 3 267.270 1.346 20 5 CDBDHM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000436719545 296920635 /nfs/dbraw/zinc/92/06/35/296920635.db2.gz AHZQEBRASVKFEP-DTORHVGOSA-N -1 3 279.296 1.123 20 5 CDBDHM NC(=O)[C@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339084866 303327905 /nfs/dbraw/zinc/32/79/05/303327905.db2.gz HXJUBSULHUDGPT-RYUDHWBXSA-N -1 3 293.323 1.434 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])cc1F ZINC000563941612 316401082 /nfs/dbraw/zinc/40/10/82/316401082.db2.gz QUMRUNFZKVNJLV-VIFPVBQESA-N -1 3 280.259 1.658 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC(C)(C(=O)[O-])C1 ZINC001600304781 1174442033 /nfs/dbraw/zinc/44/20/33/1174442033.db2.gz LVEBGNYYHGCDOE-UHFFFAOYSA-N -1 3 264.281 1.810 20 5 CDBDHM Cc1ccc(CN[C@H]2CCO[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC001600418329 1174469213 /nfs/dbraw/zinc/46/92/13/1174469213.db2.gz WYQIIJXTGSOCIR-CMPLNLGQSA-N -1 3 280.280 1.235 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H]2CCC[C@H]21 ZINC000738357127 574515530 /nfs/dbraw/zinc/51/55/30/574515530.db2.gz CARKKBRFMPXVIC-VHSXEESVSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H]2CCC[C@H]21 ZINC000738357127 574515531 /nfs/dbraw/zinc/51/55/31/574515531.db2.gz CARKKBRFMPXVIC-VHSXEESVSA-N -1 3 286.295 1.764 20 5 CDBDHM CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736584683 575697574 /nfs/dbraw/zinc/69/75/74/575697574.db2.gz VJMJNBFNCLDLNJ-UHFFFAOYSA-N -1 3 285.267 1.755 20 5 CDBDHM CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736584683 575697578 /nfs/dbraw/zinc/69/75/78/575697578.db2.gz VJMJNBFNCLDLNJ-UHFFFAOYSA-N -1 3 285.267 1.755 20 5 CDBDHM COCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000748774463 576924181 /nfs/dbraw/zinc/92/41/81/576924181.db2.gz SCFQMNHIMQDVRV-UHFFFAOYSA-N -1 3 288.687 1.485 20 5 CDBDHM Cc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])n1C ZINC000753128480 577147770 /nfs/dbraw/zinc/14/77/70/577147770.db2.gz FJWXOCBGVPWDMX-UHFFFAOYSA-N -1 3 295.686 1.937 20 5 CDBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C ZINC000820728579 606424386 /nfs/dbraw/zinc/42/43/86/606424386.db2.gz XIWUBLLHCSZSCD-HTQZYQBOSA-N -1 3 289.299 1.405 20 5 CDBDHM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1C ZINC000820728579 606424388 /nfs/dbraw/zinc/42/43/88/606424388.db2.gz XIWUBLLHCSZSCD-HTQZYQBOSA-N -1 3 289.299 1.405 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000823651495 607008948 /nfs/dbraw/zinc/00/89/48/607008948.db2.gz MHDODWGDYIVEQA-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000823651495 607008950 /nfs/dbraw/zinc/00/89/50/607008950.db2.gz MHDODWGDYIVEQA-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM CCN(Cc1cccnc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001605458281 1163571926 /nfs/dbraw/zinc/57/19/26/1163571926.db2.gz BXAPDDKQVVUVPJ-UHFFFAOYSA-N -1 3 267.285 1.675 20 5 CDBDHM CO[C@H](C)CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609308966 1164890077 /nfs/dbraw/zinc/89/00/77/1164890077.db2.gz TZSVSZGWVLWOAR-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCCCC1 ZINC001609600453 1164999511 /nfs/dbraw/zinc/99/95/11/1164999511.db2.gz KLPLMVXHNAKVGZ-UHFFFAOYSA-N -1 3 275.272 1.160 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCCCC1 ZINC001609600453 1164999516 /nfs/dbraw/zinc/99/95/16/1164999516.db2.gz KLPLMVXHNAKVGZ-UHFFFAOYSA-N -1 3 275.272 1.160 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC1CC1 ZINC001593468531 1174079564 /nfs/dbraw/zinc/07/95/64/1174079564.db2.gz NMKXKPRFTNUWQG-UHFFFAOYSA-N -1 3 278.247 1.736 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC1CC1 ZINC001593468531 1174079570 /nfs/dbraw/zinc/07/95/70/1174079570.db2.gz NMKXKPRFTNUWQG-UHFFFAOYSA-N -1 3 278.247 1.736 20 5 CDBDHM O=[N+]([O-])c1cnc(S[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC001593488153 1174085118 /nfs/dbraw/zinc/08/51/18/1174085118.db2.gz ZLMVTESWOAZYBC-SSDOTTSWSA-N -1 3 294.296 1.051 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H](C)CO ZINC001603566688 1175565533 /nfs/dbraw/zinc/56/55/33/1175565533.db2.gz SZLXHRRKAOPTMM-HTQZYQBOSA-N -1 3 292.299 1.204 20 5 CDBDHM CC1(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001603799578 1175636550 /nfs/dbraw/zinc/63/65/50/1175636550.db2.gz BMUHBIPLQQQOFD-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM CC1(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001603799578 1175636560 /nfs/dbraw/zinc/63/65/60/1175636560.db2.gz BMUHBIPLQQQOFD-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM O=C([O-])[C@@H]1CN(CC[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001608808748 1164643814 /nfs/dbraw/zinc/64/38/14/1164643814.db2.gz HTSHMBXSGIBZAY-VXGBXAGGSA-N -1 3 264.281 1.063 20 5 CDBDHM Cn1cc2c(n1)CCC[C@@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000857899093 740860522 /nfs/dbraw/zinc/86/05/22/740860522.db2.gz UGTVJMXGLTVPMH-VIFPVBQESA-N -1 3 289.295 1.918 20 5 CDBDHM CC(C)(C)[S@@](=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853345358 739415499 /nfs/dbraw/zinc/41/54/99/739415499.db2.gz RMFJPNZSWPOZHN-IBGZPJMESA-N -1 3 287.341 1.655 20 5 CDBDHM CN(CCN1CCCC1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166759010 741584727 /nfs/dbraw/zinc/58/47/27/741584727.db2.gz JPMGDIZSHPTFCV-UHFFFAOYSA-N -1 3 294.311 1.220 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc([O-])cc1 ZINC000873318134 741875898 /nfs/dbraw/zinc/87/58/98/741875898.db2.gz YMGBYRHBTMMNKQ-UHFFFAOYSA-N -1 3 291.263 1.662 20 5 CDBDHM CC(C)C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107045861 917904765 /nfs/dbraw/zinc/90/47/65/917904765.db2.gz OHXFBRNQOLOOJO-ONEGZZNKSA-N -1 3 294.311 1.436 20 5 CDBDHM O=C1NCc2ccccc2[C@@H]1[N-]c1nccnc1[N+](=O)[O-] ZINC001169876529 928495907 /nfs/dbraw/zinc/49/59/07/928495907.db2.gz NDHSHRGCKLGGCJ-JTQLQIEISA-N -1 3 285.263 1.168 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1nccc(Cl)c1[N+](=O)[O-] ZINC001156280057 938346359 /nfs/dbraw/zinc/34/63/59/938346359.db2.gz WJIDHKNYPGLWEY-ZETCQYMHSA-N -1 3 297.702 1.567 20 5 CDBDHM COc1nc([N-]COc2ccccc2)ncc1[N+](=O)[O-] ZINC001159699505 938745887 /nfs/dbraw/zinc/74/58/87/938745887.db2.gz IMZCRKDXOXKFMI-UHFFFAOYSA-N -1 3 276.252 1.842 20 5 CDBDHM Cc1ncc(Nc2ccc3c(cccc3[N+](=O)[O-])n2)c(=O)[n-]1 ZINC001162302210 938975398 /nfs/dbraw/zinc/97/53/98/938975398.db2.gz YGVHXCJNZJPJNE-NSHDSACASA-N -1 3 297.274 1.953 20 5 CDBDHM O=[N+]([O-])c1cc(Nc2ccnc(CO)c2)ccc1[O-] ZINC001210394528 940688350 /nfs/dbraw/zinc/68/83/50/940688350.db2.gz XSYUUXFMVGLQSR-UHFFFAOYSA-N -1 3 261.237 1.931 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@H]2C[C@@H](O)C2)c2[n-]cnc21 ZINC001218432606 941217790 /nfs/dbraw/zinc/21/77/90/941217790.db2.gz WTOMSPXHAPYGDY-KNVOCYPGSA-N -1 3 264.241 1.016 20 5 CDBDHM O=c1ccc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n[n-]1 ZINC001227094733 942131427 /nfs/dbraw/zinc/13/14/27/942131427.db2.gz JERXVZYFXNPIPU-LLVKDONJSA-N -1 3 273.248 1.637 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@H]2COc3cnccc32)c2[n-]cnc21 ZINC001227692651 942206062 /nfs/dbraw/zinc/20/60/62/942206062.db2.gz BCUIDXXZHXGNKD-JTQLQIEISA-N -1 3 299.246 1.774 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2COC[C@H]2F)c1[N+](=O)[O-] ZINC001228685394 942357417 /nfs/dbraw/zinc/35/74/17/942357417.db2.gz HEEGQHKKZWFSKB-HTRCEHHLSA-N -1 3 258.205 1.120 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCOC[C@H]2F)c1[N+](=O)[O-] ZINC001228687739 942357681 /nfs/dbraw/zinc/35/76/81/942357681.db2.gz AKWYGKLLGPAIPO-HTQZYQBOSA-N -1 3 272.232 1.510 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)CN2CCOCC2)n1 ZINC001231258675 942835706 /nfs/dbraw/zinc/83/57/06/942835706.db2.gz BQYQCEOPKIEJEY-JTQLQIEISA-N -1 3 297.311 1.103 20 5 CDBDHM C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001309941013 956664372 /nfs/dbraw/zinc/66/43/72/956664372.db2.gz HVNKIDDSGYTRTK-MWLCHTKSSA-N -1 3 297.336 1.623 20 5 CDBDHM C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633480 958245054 /nfs/dbraw/zinc/24/50/54/958245054.db2.gz KSUFWJPGMCTWSM-LURJTMIESA-N -1 3 258.661 1.811 20 5 CDBDHM CC(=O)NC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001347182130 965409125 /nfs/dbraw/zinc/40/91/25/965409125.db2.gz XZAWTOVUOBXPII-JTQLQIEISA-N -1 3 294.311 1.048 20 5 CDBDHM CC(COC(=O)c1ccc(C(=O)[O-])c(F)c1)[N+](=O)[O-] ZINC001592772923 979394906 /nfs/dbraw/zinc/39/49/06/979394906.db2.gz VGLIKWWJBCNEEW-ZCFIWIBFSA-N -1 3 271.200 1.346 20 5 CDBDHM CCCc1c(C(=O)OCC(C)[N+](=O)[O-])[nH]c(C)c1C(=O)[O-] ZINC001605371818 1163536864 /nfs/dbraw/zinc/53/68/64/1163536864.db2.gz REXYLYMQCORWIG-ZETCQYMHSA-N -1 3 298.295 1.796 20 5 CDBDHM CSCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001605374755 1163540877 /nfs/dbraw/zinc/54/08/77/1163540877.db2.gz IVACUALHNARWQI-UHFFFAOYSA-N -1 3 294.340 1.940 20 5 CDBDHM Cc1ncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000343540612 282163630 /nfs/dbraw/zinc/16/36/30/282163630.db2.gz FTZAGNFWSBHCIS-UHFFFAOYSA-N -1 3 298.262 1.822 20 5 CDBDHM CN(C)CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000436916917 362124393 /nfs/dbraw/zinc/12/43/93/362124393.db2.gz BNUCHUHEAKIAKQ-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000596199367 343263350 /nfs/dbraw/zinc/26/33/50/343263350.db2.gz ABOBGRNYHRMCIZ-MRVPVSSYSA-N -1 3 275.268 1.319 20 5 CDBDHM CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436972285 362160161 /nfs/dbraw/zinc/16/01/61/362160161.db2.gz NFUICUYZJJMTMN-UHFFFAOYSA-N -1 3 295.339 1.762 20 5 CDBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCCCC1=O ZINC000596203264 343264457 /nfs/dbraw/zinc/26/44/57/343264457.db2.gz DFQWBKYBOHADTC-SECBINFHSA-N -1 3 294.311 1.508 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000596209817 343267205 /nfs/dbraw/zinc/26/72/05/343267205.db2.gz RWCKEBLGMOMOPL-RKDXNWHRSA-N -1 3 267.285 1.658 20 5 CDBDHM CCO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596253609 343275237 /nfs/dbraw/zinc/27/52/37/343275237.db2.gz CDCKFOLWCDWLJF-ONGXEEELSA-N -1 3 281.312 1.947 20 5 CDBDHM C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000199041834 342437858 /nfs/dbraw/zinc/43/78/58/342437858.db2.gz RXHVFXXTWRDPHS-UHFFFAOYSA-N -1 3 284.215 1.522 20 5 CDBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc([O-])c1F ZINC000536465116 282314668 /nfs/dbraw/zinc/31/46/68/282314668.db2.gz YLUSUEZDYZWLLE-UHFFFAOYSA-N -1 3 294.242 1.665 20 5 CDBDHM COCCCn1ccc([N-]c2cccnc2[N+](=O)[O-])n1 ZINC000610279265 346242155 /nfs/dbraw/zinc/24/21/55/346242155.db2.gz NYEWMHSBAQBTTB-UHFFFAOYSA-N -1 3 277.284 1.388 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ncccc1[O-] ZINC000076083003 347625965 /nfs/dbraw/zinc/62/59/65/347625965.db2.gz MPEXEUVICGDQFS-UHFFFAOYSA-N -1 3 273.248 1.877 20 5 CDBDHM COc1cc(C(=O)[N-]OCC2CC2)c([N+](=O)[O-])cc1OC ZINC000293709146 362936194 /nfs/dbraw/zinc/93/61/94/362936194.db2.gz FIKPNMRHCYMNQB-UHFFFAOYSA-N -1 3 296.279 1.683 20 5 CDBDHM Cn1cnc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)n1 ZINC000361718189 358461035 /nfs/dbraw/zinc/46/10/35/358461035.db2.gz UJTDBZAXFGYNCD-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073419349 356936707 /nfs/dbraw/zinc/93/67/07/356936707.db2.gz YIEFUNURDWWREV-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331241997 357246722 /nfs/dbraw/zinc/24/67/22/357246722.db2.gz NULDXIPSHVDCCT-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])N(C)C1CC1 ZINC000181971374 357394427 /nfs/dbraw/zinc/39/44/27/357394427.db2.gz YKYDIQYLIAGNLP-VIFPVBQESA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1cc(NC([O-])=NOC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000296965918 200048375 /nfs/dbraw/zinc/04/83/75/200048375.db2.gz WQFUKSDKIVIHTO-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1cc(NC(=O)[N-]OC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000296965918 200048377 /nfs/dbraw/zinc/04/83/77/200048377.db2.gz WQFUKSDKIVIHTO-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM CC(C)(CC(N)=O)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339090273 361274433 /nfs/dbraw/zinc/27/44/33/361274433.db2.gz VLOMTXRTSGWINW-UHFFFAOYSA-N -1 3 267.285 1.044 20 5 CDBDHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493342666 375444224 /nfs/dbraw/zinc/44/42/24/375444224.db2.gz YULLMHMBISDNQL-MEJMFZKBSA-N -1 3 294.307 1.673 20 5 CDBDHM COC(=O)c1cc([N-]c2ncc([N+](=O)[O-])cn2)cn1C ZINC000354612224 375733820 /nfs/dbraw/zinc/73/38/20/375733820.db2.gz ZJHFCBKUPFLMRP-UHFFFAOYSA-N -1 3 277.240 1.254 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)C ZINC000048664339 375883892 /nfs/dbraw/zinc/88/38/92/375883892.db2.gz MOZDLOSMVQHUKC-UHFFFAOYSA-N -1 3 272.326 1.838 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC(C)(C)O ZINC000278507878 194018644 /nfs/dbraw/zinc/01/86/44/194018644.db2.gz BATAMIKFAUMBJN-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)(C)O ZINC000278507878 194018646 /nfs/dbraw/zinc/01/86/46/194018646.db2.gz BATAMIKFAUMBJN-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)F ZINC000173809873 379283537 /nfs/dbraw/zinc/28/35/37/379283537.db2.gz NCFDOXAPWCBGOC-UHFFFAOYSA-N -1 3 280.252 1.447 20 5 CDBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]O[C@@H]1CCOC1 ZINC000492502460 253233871 /nfs/dbraw/zinc/23/38/71/253233871.db2.gz LGFCLESZFDLYMQ-QMAVJUDZSA-N -1 3 278.264 1.445 20 5 CDBDHM COCCCO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493220817 253403232 /nfs/dbraw/zinc/40/32/32/253403232.db2.gz OGYITBARVBMBMQ-XQRVVYSFSA-N -1 3 298.270 1.831 20 5 CDBDHM COC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000431268143 393109870 /nfs/dbraw/zinc/10/98/70/393109870.db2.gz BTBRTEXSFFRQIQ-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM COc1nnc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000299735906 393198622 /nfs/dbraw/zinc/19/86/22/393198622.db2.gz ORDHUMDFLLLHFA-SREVYHEPSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1nc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000299735906 393198628 /nfs/dbraw/zinc/19/86/28/393198628.db2.gz ORDHUMDFLLLHFA-SREVYHEPSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1n[n-]c(NC(=O)C=Cc2ccccc2[N+](=O)[O-])n1 ZINC000299735906 393198635 /nfs/dbraw/zinc/19/86/35/393198635.db2.gz ORDHUMDFLLLHFA-SREVYHEPSA-N -1 3 289.251 1.373 20 5 CDBDHM O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1ccccc1[O-] ZINC000180702118 140017254 /nfs/dbraw/zinc/01/72/54/140017254.db2.gz WJFZSEHHOOMCID-UHFFFAOYSA-N -1 3 289.247 1.101 20 5 CDBDHM Cc1ccc(O)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186998115 140074599 /nfs/dbraw/zinc/07/45/99/140074599.db2.gz GSUFHRFTAQJIIN-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM CCc1ncc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000155890180 289253808 /nfs/dbraw/zinc/25/38/08/289253808.db2.gz HSYWYTXVIUODRY-UHFFFAOYSA-N -1 3 289.251 1.300 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000547731913 289801445 /nfs/dbraw/zinc/80/14/45/289801445.db2.gz HBOPVMYFSNNUTH-UHFFFAOYSA-N -1 3 288.263 1.669 20 5 CDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CCN(C)CC2)n1 ZINC000582244190 324938357 /nfs/dbraw/zinc/93/83/57/324938357.db2.gz OLNQQZYFIRCLBA-UHFFFAOYSA-N -1 3 294.311 1.503 20 5 CDBDHM O=C(OCCN1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000770403995 575446209 /nfs/dbraw/zinc/44/62/09/575446209.db2.gz JKNPHEPHOTZACH-UHFFFAOYSA-N -1 3 294.307 1.943 20 5 CDBDHM CCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736452327 575667185 /nfs/dbraw/zinc/66/71/85/575667185.db2.gz USUDIGMSNNTGKZ-UHFFFAOYSA-N -1 3 277.288 1.772 20 5 CDBDHM CCCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736452327 575667188 /nfs/dbraw/zinc/66/71/88/575667188.db2.gz USUDIGMSNNTGKZ-UHFFFAOYSA-N -1 3 277.288 1.772 20 5 CDBDHM COCCON=C([O-])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000749015203 576932251 /nfs/dbraw/zinc/93/22/51/576932251.db2.gz RMCXMUSZSWMDBT-UHFFFAOYSA-N -1 3 289.675 1.948 20 5 CDBDHM COCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000749015203 576932253 /nfs/dbraw/zinc/93/22/53/576932253.db2.gz RMCXMUSZSWMDBT-UHFFFAOYSA-N -1 3 289.675 1.948 20 5 CDBDHM CC(C)[C@H](CN(C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755320165 576940155 /nfs/dbraw/zinc/94/01/55/576940155.db2.gz XKVZLCXJXZCVRW-NSHDSACASA-N -1 3 295.339 1.616 20 5 CDBDHM COCCO[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000759271096 577165810 /nfs/dbraw/zinc/16/58/10/577165810.db2.gz FOBNUUMDROOCED-UHFFFAOYSA-N -1 3 293.279 1.313 20 5 CDBDHM C[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820248646 599100165 /nfs/dbraw/zinc/10/01/65/599100165.db2.gz LVKACXPTICEKEN-QMMMGPOBSA-N -1 3 292.299 1.205 20 5 CDBDHM C[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820248646 599100167 /nfs/dbraw/zinc/10/01/67/599100167.db2.gz LVKACXPTICEKEN-QMMMGPOBSA-N -1 3 292.299 1.205 20 5 CDBDHM CCCCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604180329 1163117005 /nfs/dbraw/zinc/11/70/05/1163117005.db2.gz QMULEPNZMBYGEN-UHFFFAOYSA-N -1 3 277.288 1.772 20 5 CDBDHM CCCCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604180329 1163117006 /nfs/dbraw/zinc/11/70/06/1163117006.db2.gz QMULEPNZMBYGEN-UHFFFAOYSA-N -1 3 277.288 1.772 20 5 CDBDHM C[C@H](O)CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605442390 1163565668 /nfs/dbraw/zinc/56/56/68/1163565668.db2.gz LWBOYKRZMTYWHO-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@H](O)CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605442390 1163565674 /nfs/dbraw/zinc/56/56/74/1163565674.db2.gz LWBOYKRZMTYWHO-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCCC1CC1 ZINC001607080774 1164072339 /nfs/dbraw/zinc/07/23/39/1164072339.db2.gz NXQAEIYVGSMNLM-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCCC1CC1 ZINC001607080774 1164072347 /nfs/dbraw/zinc/07/23/47/1164072347.db2.gz NXQAEIYVGSMNLM-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM COCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591416341 1173650595 /nfs/dbraw/zinc/65/05/95/1173650595.db2.gz KFJHKEAKLFGKIH-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM COCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591416341 1173650596 /nfs/dbraw/zinc/65/05/96/1173650596.db2.gz KFJHKEAKLFGKIH-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC3(CC3)C2)c(-c2nnn[n-]2)c1 ZINC001593476378 1174081100 /nfs/dbraw/zinc/08/11/00/1174081100.db2.gz NRSAPBBUAUODHV-UHFFFAOYSA-N -1 3 272.268 1.375 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC3(CC3)C2)c(-c2nn[n-]n2)c1 ZINC001593476378 1174081107 /nfs/dbraw/zinc/08/11/07/1174081107.db2.gz NRSAPBBUAUODHV-UHFFFAOYSA-N -1 3 272.268 1.375 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C=CCC1 ZINC001593471828 1174082398 /nfs/dbraw/zinc/08/23/98/1174082398.db2.gz VGVPCVWHHWLRBK-SECBINFHSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C=CCC1 ZINC001593471828 1174082405 /nfs/dbraw/zinc/08/24/05/1174082405.db2.gz VGVPCVWHHWLRBK-SECBINFHSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1ccccc1-c1nnn[n-]1 ZINC001593487167 1174083831 /nfs/dbraw/zinc/08/38/31/1174083831.db2.gz DIRHAKZJDVXDSS-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1ccccc1-c1nn[n-]n1 ZINC001593487167 1174083838 /nfs/dbraw/zinc/08/38/38/1174083838.db2.gz DIRHAKZJDVXDSS-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1cccc(-c2nnn[n-]2)c1 ZINC001593487767 1174084943 /nfs/dbraw/zinc/08/49/43/1174084943.db2.gz LQVZYPSQXGGLGS-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1cccc(-c2nn[n-]n2)c1 ZINC001593487767 1174084948 /nfs/dbraw/zinc/08/49/48/1174084948.db2.gz LQVZYPSQXGGLGS-UHFFFAOYSA-N -1 3 271.240 1.020 20 5 CDBDHM CC(C)(F)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603158004 1175505476 /nfs/dbraw/zinc/50/54/76/1175505476.db2.gz OYWPZFASQANBAW-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM CC(C)(F)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603158004 1175505479 /nfs/dbraw/zinc/50/54/79/1175505479.db2.gz OYWPZFASQANBAW-UHFFFAOYSA-N -1 3 280.263 1.935 20 5 CDBDHM CC(C)=CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609085741 1164762317 /nfs/dbraw/zinc/76/23/17/1164762317.db2.gz NYGCWUSCRMFNSM-UHFFFAOYSA-N -1 3 275.272 1.548 20 5 CDBDHM CC(C)=CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609085741 1164762320 /nfs/dbraw/zinc/76/23/20/1164762320.db2.gz NYGCWUSCRMFNSM-UHFFFAOYSA-N -1 3 275.272 1.548 20 5 CDBDHM COC(=O)CCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000819932382 747141318 /nfs/dbraw/zinc/14/13/18/747141318.db2.gz MFSAGRCVOZPOSF-UHFFFAOYSA-N -1 3 296.279 1.138 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000826498221 747465098 /nfs/dbraw/zinc/46/50/98/747465098.db2.gz LTJAZEKTFVAXQX-UHFFFAOYSA-N -1 3 296.237 1.620 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000826498221 747465107 /nfs/dbraw/zinc/46/51/07/747465107.db2.gz LTJAZEKTFVAXQX-UHFFFAOYSA-N -1 3 296.237 1.620 20 5 CDBDHM Cc1nonc1[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000779348511 748468973 /nfs/dbraw/zinc/46/89/73/748468973.db2.gz VLWOTCFYKXHWAL-UHFFFAOYSA-N -1 3 292.207 1.267 20 5 CDBDHM Cc1cc2[n-]c(O[C@H]3C[C@@H](O)C3)nc2cc1[N+](=O)[O-] ZINC001218417570 898878355 /nfs/dbraw/zinc/87/83/55/898878355.db2.gz NONDPLXCEZOYFT-OCAPTIKFSA-N -1 3 263.253 1.682 20 5 CDBDHM CN1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666996 903643363 /nfs/dbraw/zinc/64/33/63/903643363.db2.gz NBHPLQJKZKLMPH-MRVPVSSYSA-N -1 3 253.258 1.168 20 5 CDBDHM CC(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089884216 917805892 /nfs/dbraw/zinc/80/58/92/917805892.db2.gz UJEZVQCDQDOPIT-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM O=[N+]([O-])c1cnc2cccc(NCc3ncccc3[O-])n21 ZINC001169737488 928403464 /nfs/dbraw/zinc/40/34/64/928403464.db2.gz RNQOCHXAVINYTR-UHFFFAOYSA-N -1 3 285.263 1.955 20 5 CDBDHM O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCc1ncccc1[O-] ZINC001158774848 938663269 /nfs/dbraw/zinc/66/32/69/938663269.db2.gz SGNCMFJFFPUBCP-UHFFFAOYSA-N -1 3 296.670 1.594 20 5 CDBDHM COc1cc(C)nc(Nc2cnc(C)[n-]c2=O)c1[N+](=O)[O-] ZINC001162300259 938974538 /nfs/dbraw/zinc/97/45/38/938974538.db2.gz HMYSDABDRREWKV-QMMMGPOBSA-N -1 3 291.267 1.117 20 5 CDBDHM O=c1[n-]ccc(NC[C@H](O)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001162303058 938975618 /nfs/dbraw/zinc/97/56/18/938975618.db2.gz IHGZBQSCLRZYJY-NSHDSACASA-N -1 3 293.254 1.980 20 5 CDBDHM COc1ncc(Nc2ncccc2[O-])cc1[N+](=O)[O-] ZINC001210135485 940665570 /nfs/dbraw/zinc/66/55/70/940665570.db2.gz UADGYFPIZMKFCC-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM CC[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(=O)OC ZINC001226341774 941990263 /nfs/dbraw/zinc/99/02/63/941990263.db2.gz ULZPEBUEEHKZPZ-SECBINFHSA-N -1 3 255.226 1.631 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3COCCO3)[n-]c2c1 ZINC001227746438 942218539 /nfs/dbraw/zinc/21/85/39/942218539.db2.gz SKZZMKKYOXHPTG-VIFPVBQESA-N -1 3 279.252 1.265 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3COCCO3)nc2c1 ZINC001227746438 942218543 /nfs/dbraw/zinc/21/85/43/942218543.db2.gz SKZZMKKYOXHPTG-VIFPVBQESA-N -1 3 279.252 1.265 20 5 CDBDHM CCCOC(=O)[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687221 942357346 /nfs/dbraw/zinc/35/73/46/942357346.db2.gz UTUALFITIJSRGA-QMMMGPOBSA-N -1 3 284.268 1.724 20 5 CDBDHM COc1ccc([N-]c2scnc2C(N)=O)c([N+](=O)[O-])c1 ZINC001248465660 949051474 /nfs/dbraw/zinc/05/14/74/949051474.db2.gz BZRJRXSTHGFZNM-UHFFFAOYSA-N -1 3 294.292 1.902 20 5 CDBDHM O=C1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C1CC1 ZINC001328014698 955160649 /nfs/dbraw/zinc/16/06/49/955160649.db2.gz WPIDRZXTLMWWFG-QMMMGPOBSA-N -1 3 292.295 1.118 20 5 CDBDHM COc1c(O)ccc(CN(C)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001604679841 973869785 /nfs/dbraw/zinc/86/97/85/973869785.db2.gz FHCSCTLNTMXQLN-MRVPVSSYSA-N -1 3 298.295 1.462 20 5 CDBDHM CC(COC(=O)Cc1ccc(C(=O)[O-])cc1)[N+](=O)[O-] ZINC001592765635 979372775 /nfs/dbraw/zinc/37/27/75/979372775.db2.gz WYAVDSXBXZPADQ-QMMMGPOBSA-N -1 3 267.237 1.136 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(CF)CCC1 ZINC000564905864 365531409 /nfs/dbraw/zinc/53/14/09/365531409.db2.gz AOJUFTOXVWNCMO-UHFFFAOYSA-N -1 3 288.300 1.765 20 5 CDBDHM CN(CCN(C)C1CC1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565035546 365576911 /nfs/dbraw/zinc/57/69/11/365576911.db2.gz JNMDBBMKKYCGDU-UHFFFAOYSA-N -1 3 294.311 1.218 20 5 CDBDHM C[C@H]1[C@H](C(=O)[O-])CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000593751421 342832427 /nfs/dbraw/zinc/83/24/27/342832427.db2.gz ZXJYODLDGSRMSK-WDEREUQCSA-N -1 3 294.307 1.769 20 5 CDBDHM Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962257 362155246 /nfs/dbraw/zinc/15/52/46/362155246.db2.gz BNCWNGATFTUESJ-UHFFFAOYSA-N -1 3 276.252 1.262 20 5 CDBDHM COCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596166164 343257547 /nfs/dbraw/zinc/25/75/47/343257547.db2.gz PUOQTSYQJGPQNF-UHFFFAOYSA-N -1 3 267.285 1.924 20 5 CDBDHM C[C@@H](O)C[C@H]1CCCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172518 343259358 /nfs/dbraw/zinc/25/93/58/343259358.db2.gz KWHOLGMXZHRNKK-RKDXNWHRSA-N -1 3 267.285 1.435 20 5 CDBDHM C[S@](=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596224196 343271396 /nfs/dbraw/zinc/27/13/96/343271396.db2.gz BFDJWSUWJGZJTD-IBGZPJMESA-N -1 3 285.325 1.409 20 5 CDBDHM CO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000596262586 343278646 /nfs/dbraw/zinc/27/86/46/343278646.db2.gz HLYGVMYLHOYNPR-JTQLQIEISA-N -1 3 281.312 1.947 20 5 CDBDHM CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000161399634 188525731 /nfs/dbraw/zinc/52/57/31/188525731.db2.gz OXSUSNHMSBQDMK-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM COc1cc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000566366533 357492521 /nfs/dbraw/zinc/49/25/21/357492521.db2.gz DYHCXVKMWMFHDV-MWLCHTKSSA-N -1 3 294.307 1.898 20 5 CDBDHM CC(C)[C@@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339081077 359285895 /nfs/dbraw/zinc/28/58/95/359285895.db2.gz IDXBYRRGYLOVCG-LLVKDONJSA-N -1 3 254.286 1.407 20 5 CDBDHM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000160240530 360777586 /nfs/dbraw/zinc/77/75/86/360777586.db2.gz OHZQDEJJRCAOSQ-VIFPVBQESA-N -1 3 293.323 1.513 20 5 CDBDHM CN(C)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211901172 361448947 /nfs/dbraw/zinc/44/89/47/361448947.db2.gz YNUJWIUSLCAUHF-UHFFFAOYSA-N -1 3 253.258 1.267 20 5 CDBDHM CCc1nn(C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276665187 193420301 /nfs/dbraw/zinc/42/03/01/193420301.db2.gz FMBZIALUUFGMMZ-UHFFFAOYSA-N -1 3 291.267 1.244 20 5 CDBDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000080632076 374474911 /nfs/dbraw/zinc/47/49/11/374474911.db2.gz AISLERBJKBXIBP-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM CN(C)C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000330420576 374850393 /nfs/dbraw/zinc/85/03/93/374850393.db2.gz GOHYPZWYSXJSBO-ZDUSSCGKSA-N -1 3 295.339 1.063 20 5 CDBDHM C[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C ZINC000334086406 375111577 /nfs/dbraw/zinc/11/15/77/375111577.db2.gz DSMAMDCLCJKOFV-GXSJLCMTSA-N -1 3 293.323 1.513 20 5 CDBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2ccno2)cc1 ZINC000351929671 375342937 /nfs/dbraw/zinc/34/29/37/375342937.db2.gz XHESRXDJFMAHSZ-UHFFFAOYSA-N -1 3 297.292 1.202 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(F)ccc1[O-] ZINC000174893745 379607094 /nfs/dbraw/zinc/60/70/94/379607094.db2.gz QIIVWUSXBOMGNI-UHFFFAOYSA-N -1 3 294.242 1.583 20 5 CDBDHM CCO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491334472 253075968 /nfs/dbraw/zinc/07/59/68/253075968.db2.gz KLUWTLLJTPCTKV-XQRVVYSFSA-N -1 3 254.217 1.815 20 5 CDBDHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493430254 390199657 /nfs/dbraw/zinc/19/96/57/390199657.db2.gz ILPXCZJPVWOFFQ-KTRBRXNASA-N -1 3 294.307 1.673 20 5 CDBDHM Nc1nccc(C(=O)Nc2ccccc2[O-])c1[N+](=O)[O-] ZINC000548711310 392504227 /nfs/dbraw/zinc/50/42/27/392504227.db2.gz NAXDQUAQHIRXSZ-UHFFFAOYSA-N -1 3 274.236 1.360 20 5 CDBDHM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)N1 ZINC000262263551 149042695 /nfs/dbraw/zinc/04/26/95/149042695.db2.gz USIFHRDJLIUOIR-DTORHVGOSA-N -1 3 279.296 1.123 20 5 CDBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000028813037 171575709 /nfs/dbraw/zinc/57/57/09/171575709.db2.gz QRDXOMVGRRTIOE-UHFFFAOYSA-N -1 3 291.238 1.983 20 5 CDBDHM CCC[C@H](O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590559169 1173463601 /nfs/dbraw/zinc/46/36/01/1173463601.db2.gz CNYVXLVDTIFJHW-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@H](O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590559169 1173463604 /nfs/dbraw/zinc/46/36/04/1173463604.db2.gz CNYVXLVDTIFJHW-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1ccn(Cc2nc(-c3ccc([O-])cc3)no2)n1 ZINC000350570554 316179237 /nfs/dbraw/zinc/17/92/37/316179237.db2.gz BXKUUWHWOJIZGE-UHFFFAOYSA-N -1 3 287.235 1.595 20 5 CDBDHM Cc1ccc(CN[C@@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC001600419274 1174470645 /nfs/dbraw/zinc/47/06/45/1174470645.db2.gz SNINHOKMAQGCSN-CQSZACIVSA-N -1 3 294.307 1.627 20 5 CDBDHM CC[C@H](COC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736352242 575635887 /nfs/dbraw/zinc/63/58/87/575635887.db2.gz JRASPFVVYZCARB-SECBINFHSA-N -1 3 292.299 1.612 20 5 CDBDHM CC[C@H](COC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736352242 575635888 /nfs/dbraw/zinc/63/58/88/575635888.db2.gz JRASPFVVYZCARB-SECBINFHSA-N -1 3 292.299 1.612 20 5 CDBDHM COc1cc(CNCCC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000818561538 597134019 /nfs/dbraw/zinc/13/40/19/597134019.db2.gz PWUYJIOQOZSUSE-UHFFFAOYSA-N -1 3 284.268 1.176 20 5 CDBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823366984 606313058 /nfs/dbraw/zinc/31/30/58/606313058.db2.gz BQFMXODLHIVULH-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823366984 606313060 /nfs/dbraw/zinc/31/30/60/606313060.db2.gz BQFMXODLHIVULH-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM CC[C@H](O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820933187 606879893 /nfs/dbraw/zinc/87/98/93/606879893.db2.gz SKTFKFXAFWGVJN-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@H](O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820933187 606879894 /nfs/dbraw/zinc/87/98/94/606879894.db2.gz SKTFKFXAFWGVJN-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@]12C[C@H]1CCCN2 ZINC001580760950 1172534470 /nfs/dbraw/zinc/53/44/70/1172534470.db2.gz BXBXARILNXCFDF-OQPBUACISA-N -1 3 277.280 1.381 20 5 CDBDHM Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000020061363 1172600827 /nfs/dbraw/zinc/60/08/27/1172600827.db2.gz NZPABGMFFNBVCO-UHFFFAOYSA-N -1 3 293.304 1.978 20 5 CDBDHM C[C@@H]1CC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590238216 1173309845 /nfs/dbraw/zinc/30/98/45/1173309845.db2.gz CLEJEZLHQIVEOU-VXNVDRBHSA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@@H]1CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590238216 1173309853 /nfs/dbraw/zinc/30/98/53/1173309853.db2.gz CLEJEZLHQIVEOU-VXNVDRBHSA-N -1 3 274.284 1.985 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC=C(F)C2)c(-c2nnn[n-]2)c1 ZINC001593486553 1174085135 /nfs/dbraw/zinc/08/51/35/1174085135.db2.gz ZLJHXMSOICESBO-UHFFFAOYSA-N -1 3 291.246 1.233 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC=C(F)C2)c(-c2nn[n-]n2)c1 ZINC001593486553 1174085142 /nfs/dbraw/zinc/08/51/42/1174085142.db2.gz ZLJHXMSOICESBO-UHFFFAOYSA-N -1 3 291.246 1.233 20 5 CDBDHM COCCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609323409 1164902152 /nfs/dbraw/zinc/90/21/52/1164902152.db2.gz YAEOFJSAPQEESQ-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM COCCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609323409 1164902158 /nfs/dbraw/zinc/90/21/58/1164902158.db2.gz YAEOFJSAPQEESQ-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM O=C([O-])[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000250068011 752441098 /nfs/dbraw/zinc/44/10/98/752441098.db2.gz YUEVNLUZIDPFSV-YPMHNXCESA-N -1 3 294.307 1.425 20 5 CDBDHM O=C(CCC1CC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093535261 909914518 /nfs/dbraw/zinc/91/45/18/909914518.db2.gz XGZHZBXUWRBOOF-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM CC(C)CC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094286146 910484575 /nfs/dbraw/zinc/48/45/75/910484575.db2.gz GXJGTOCRSGHENB-UHFFFAOYSA-N -1 3 296.327 1.660 20 5 CDBDHM CN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)C1 ZINC001156590733 938390261 /nfs/dbraw/zinc/39/02/61/938390261.db2.gz PWZQRULVROVHJW-GFCCVEGCSA-N -1 3 293.323 1.370 20 5 CDBDHM CCn1ccnc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001161517889 938907741 /nfs/dbraw/zinc/90/77/41/938907741.db2.gz SXZVLCCGJDGMOL-UHFFFAOYSA-N -1 3 277.240 1.164 20 5 CDBDHM Cc1nc([N-]c2cncc(N(C)C)c2)ncc1[N+](=O)[O-] ZINC001329738753 940970448 /nfs/dbraw/zinc/97/04/48/940970448.db2.gz AAOAJIGDMDCWIB-UHFFFAOYSA-N -1 3 274.284 1.898 20 5 CDBDHM O=C1CCCC[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694700 942206518 /nfs/dbraw/zinc/20/65/18/942206518.db2.gz IFUDBMGSBUINJV-SECBINFHSA-N -1 3 276.252 1.757 20 5 CDBDHM CC[C@@H](COC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686790 942358034 /nfs/dbraw/zinc/35/80/34/942358034.db2.gz RCWRVTVATJUFSI-QMMMGPOBSA-N -1 3 256.258 1.808 20 5 CDBDHM O=C([O-])CC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001332406394 961560051 /nfs/dbraw/zinc/56/00/51/961560051.db2.gz LVXVEYZRWNGNPZ-UHFFFAOYSA-N -1 3 256.283 1.753 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000601195240 342488929 /nfs/dbraw/zinc/48/89/29/342488929.db2.gz IGEHTZMLMRNALY-SECBINFHSA-N -1 3 262.269 1.519 20 5 CDBDHM COC(=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596147754 343244023 /nfs/dbraw/zinc/24/40/23/343244023.db2.gz VGSQCJWOWLQJNU-UHFFFAOYSA-N -1 3 295.295 1.841 20 5 CDBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000596233621 343262239 /nfs/dbraw/zinc/26/22/39/343262239.db2.gz YVVAWUAERJZFNA-ZUNJMDCASA-N -1 3 299.352 1.431 20 5 CDBDHM C[C@]1(O)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596221278 343270534 /nfs/dbraw/zinc/27/05/34/343270534.db2.gz DQRLMNAVOOZZSM-LBPRGKRZSA-N -1 3 267.285 1.437 20 5 CDBDHM CC(C)[C@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423751072 535060322 /nfs/dbraw/zinc/06/03/22/535060322.db2.gz YDJFVYWRLCXOSP-VIFPVBQESA-N -1 3 287.703 1.876 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncn(C)n1 ZINC000292499380 198311115 /nfs/dbraw/zinc/31/11/15/198311115.db2.gz ZCHOOQAVGBANQL-UHFFFAOYSA-N -1 3 291.267 1.374 20 5 CDBDHM Cc1cc([N-]C(=O)COc2ncc(C)cc2[N+](=O)[O-])on1 ZINC000157982873 188350432 /nfs/dbraw/zinc/35/04/32/188350432.db2.gz MKEAIFCGOQRPMU-UHFFFAOYSA-N -1 3 292.251 1.612 20 5 CDBDHM Cc1cc(C(=O)[N-]N2CCCCC2=O)cc([N+](=O)[O-])c1 ZINC000102641073 358884114 /nfs/dbraw/zinc/88/41/14/358884114.db2.gz HWOIZHKTOBYLSM-UHFFFAOYSA-N -1 3 277.280 1.561 20 5 CDBDHM CC(C)[C@@H](CCO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339084346 359285833 /nfs/dbraw/zinc/28/58/33/359285833.db2.gz UGFSJRDVTJLNPC-GFCCVEGCSA-N -1 3 268.313 1.797 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000342782876 360095826 /nfs/dbraw/zinc/09/58/26/360095826.db2.gz OSMGWOFRBCEXMH-UHFFFAOYSA-N -1 3 290.254 1.792 20 5 CDBDHM O=C([N-]O[C@@H]1CCCCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135224707 361705491 /nfs/dbraw/zinc/70/54/91/361705491.db2.gz ZCOYYQGSKDSKAR-LLVKDONJSA-N -1 3 284.243 1.922 20 5 CDBDHM C[C@H](CCCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000094946725 367736079 /nfs/dbraw/zinc/73/60/79/367736079.db2.gz ZHYYZNWHSHMVQU-SECBINFHSA-N -1 3 288.325 1.034 20 5 CDBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1csnn1 ZINC000352191882 284282004 /nfs/dbraw/zinc/28/20/04/284282004.db2.gz XSJBKTBOQBVGBV-UHFFFAOYSA-N -1 3 268.229 1.838 20 5 CDBDHM O=C(Nc1ccc(F)cn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000192683427 284310535 /nfs/dbraw/zinc/31/05/35/284310535.db2.gz OLZQFDVALIGODI-UHFFFAOYSA-N -1 3 278.199 1.482 20 5 CDBDHM COC(=O)c1cnc([N-]c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000302777475 375248932 /nfs/dbraw/zinc/24/89/32/375248932.db2.gz PMZJAPUHIWZPRP-UHFFFAOYSA-N -1 3 263.213 1.243 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(C)cccc1[O-] ZINC000357093712 375884434 /nfs/dbraw/zinc/88/44/34/375884434.db2.gz LOPBLLBJKANZBK-UHFFFAOYSA-N -1 3 290.279 1.752 20 5 CDBDHM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1 ZINC000187655980 390893042 /nfs/dbraw/zinc/89/30/42/390893042.db2.gz DSVNLQFCCDKYGK-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM Cc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1[O-] ZINC000130007014 391124844 /nfs/dbraw/zinc/12/48/44/391124844.db2.gz UITGPEIILFASCD-UHFFFAOYSA-N -1 3 290.279 1.235 20 5 CDBDHM CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000574329055 391735475 /nfs/dbraw/zinc/73/54/75/391735475.db2.gz XWMGFGLCGCHLPD-JTQLQIEISA-N -1 3 293.323 1.823 20 5 CDBDHM O=C(Nc1ccc([O-])cc1F)c1c[nH]nc1[N+](=O)[O-] ZINC000548946794 392517608 /nfs/dbraw/zinc/51/76/08/392517608.db2.gz TWKPHONFHZKCCR-UHFFFAOYSA-N -1 3 266.188 1.415 20 5 CDBDHM CO[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000442728112 392475294 /nfs/dbraw/zinc/47/52/94/392475294.db2.gz HPJFXVGFRSUINZ-ZCFIWIBFSA-N -1 3 294.354 1.278 20 5 CDBDHM CCOc1cc(CN(C)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000521257625 392866622 /nfs/dbraw/zinc/86/66/22/392866622.db2.gz NFBCPBBIGBHHHD-VIFPVBQESA-N -1 3 282.296 1.898 20 5 CDBDHM CN1CC=C(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000392200082 393156433 /nfs/dbraw/zinc/15/64/33/393156433.db2.gz IAZVCIQWCNXZCW-UHFFFAOYSA-N -1 3 292.295 1.362 20 5 CDBDHM C[C@@H](CN(C)C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343806529 152310282 /nfs/dbraw/zinc/31/02/82/152310282.db2.gz LYGHCQNJXLTVQU-VIFPVBQESA-N -1 3 291.311 1.429 20 5 CDBDHM Cc1ccc(O)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000352344662 155109216 /nfs/dbraw/zinc/10/92/16/155109216.db2.gz YDIMEHMTXFNTCB-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM CN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000037248236 173060799 /nfs/dbraw/zinc/06/07/99/173060799.db2.gz OAJRUHLKIZHYED-UHFFFAOYSA-N -1 3 279.296 1.799 20 5 CDBDHM CCCn1c(=O)[n-]nc1SCc1c([N+](=O)[O-])ncn1C ZINC000356549635 521633489 /nfs/dbraw/zinc/63/34/89/521633489.db2.gz PSEMQXWNKHFTHD-UHFFFAOYSA-N -1 3 298.328 1.328 20 5 CDBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCN1 ZINC000236582528 527131177 /nfs/dbraw/zinc/13/11/77/527131177.db2.gz ZYAXBCRRJBLAMW-VIFPVBQESA-N -1 3 265.269 1.381 20 5 CDBDHM CC(C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735858775 575522253 /nfs/dbraw/zinc/52/22/53/575522253.db2.gz DHJLVFDENKGZRC-UHFFFAOYSA-N -1 3 262.273 1.620 20 5 CDBDHM CC(C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735858775 575522254 /nfs/dbraw/zinc/52/22/54/575522254.db2.gz DHJLVFDENKGZRC-UHFFFAOYSA-N -1 3 262.273 1.620 20 5 CDBDHM CCN(CCC(=O)[O-])Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000737096871 575818929 /nfs/dbraw/zinc/81/89/29/575818929.db2.gz RWGSAHWWVGPJHN-UHFFFAOYSA-N -1 3 292.295 1.699 20 5 CDBDHM C[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820248645 599100206 /nfs/dbraw/zinc/10/02/06/599100206.db2.gz LVKACXPTICEKEN-MRVPVSSYSA-N -1 3 292.299 1.205 20 5 CDBDHM C[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820248645 599100208 /nfs/dbraw/zinc/10/02/08/599100208.db2.gz LVKACXPTICEKEN-MRVPVSSYSA-N -1 3 292.299 1.205 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227150881 601511672 /nfs/dbraw/zinc/51/16/72/601511672.db2.gz OCQCMAVOJXHQCR-BXKDBHETSA-N -1 3 294.307 1.756 20 5 CDBDHM C[C@H]1CCCN1CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001604739470 1163305582 /nfs/dbraw/zinc/30/55/82/1163305582.db2.gz ASDZQFNGOLVRNZ-VIFPVBQESA-N -1 3 294.311 1.584 20 5 CDBDHM O=[N+]([O-])c1cc(N2CCCCO2)ccc1-c1nnn[n-]1 ZINC001607079267 1164071869 /nfs/dbraw/zinc/07/18/69/1164071869.db2.gz ZHKNFBXOLGUGFR-UHFFFAOYSA-N -1 3 276.256 1.307 20 5 CDBDHM CC[C@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609184175 1164823453 /nfs/dbraw/zinc/82/34/53/1164823453.db2.gz RHYFEZBZWIKVRL-LBPRGKRZSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609184175 1164823458 /nfs/dbraw/zinc/82/34/58/1164823458.db2.gz RHYFEZBZWIKVRL-LBPRGKRZSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC[C@@H](F)C2)ccc1-c1nnn[n-]1 ZINC001609600874 1164998980 /nfs/dbraw/zinc/99/89/80/1164998980.db2.gz IDAUUXAPQBXHFN-SSDOTTSWSA-N -1 3 278.247 1.323 20 5 CDBDHM CC(C)[C@@H](O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589480568 1173149220 /nfs/dbraw/zinc/14/92/20/1173149220.db2.gz PFPGVKBHEADIPS-JTQLQIEISA-N -1 3 292.299 1.204 20 5 CDBDHM CC(C)[C@@H](O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589480568 1173149224 /nfs/dbraw/zinc/14/92/24/1173149224.db2.gz PFPGVKBHEADIPS-JTQLQIEISA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001590312606 1173346115 /nfs/dbraw/zinc/34/61/15/1173346115.db2.gz JISHUNMSEUIEAZ-YUMQZZPRSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001590312606 1173346123 /nfs/dbraw/zinc/34/61/23/1173346123.db2.gz JISHUNMSEUIEAZ-YUMQZZPRSA-N -1 3 274.284 1.620 20 5 CDBDHM Cc1cc(Oc2cccnc2[N+](=O)[O-])ncc1-c1nnn[n-]1 ZINC001592063716 1173791279 /nfs/dbraw/zinc/79/12/79/1173791279.db2.gz VVFOEFIQWANZRX-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1cc(Oc2cccnc2[N+](=O)[O-])ncc1-c1nn[n-]n1 ZINC001592063716 1173791286 /nfs/dbraw/zinc/79/12/86/1173791286.db2.gz VVFOEFIQWANZRX-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM O=[N+]([O-])c1ccc(Cn2cc(-c3nnn[n-]3)cn2)cc1F ZINC001593476757 1174082242 /nfs/dbraw/zinc/08/22/42/1174082242.db2.gz YFSGRBUZEGQKBU-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1ccc(Cn2cc(-c3nn[n-]n3)cn2)cc1F ZINC001593476757 1174082248 /nfs/dbraw/zinc/08/22/48/1174082248.db2.gz YFSGRBUZEGQKBU-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCCCF)c(-c2nnn[n-]2)c1 ZINC001593477927 1174082285 /nfs/dbraw/zinc/08/22/85/1174082285.db2.gz KIXCPPGPUUCEBZ-UHFFFAOYSA-N -1 3 280.263 1.937 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCCCF)c(-c2nn[n-]n2)c1 ZINC001593477927 1174082290 /nfs/dbraw/zinc/08/22/90/1174082290.db2.gz KIXCPPGPUUCEBZ-UHFFFAOYSA-N -1 3 280.263 1.937 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@H]2C[C@H]21 ZINC001593476578 1174082842 /nfs/dbraw/zinc/08/28/42/1174082842.db2.gz YSKLKDZWOZGZLZ-OIBJUYFYSA-N -1 3 272.268 1.374 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@H]2C[C@H]21 ZINC001593476578 1174082851 /nfs/dbraw/zinc/08/28/51/1174082851.db2.gz YSKLKDZWOZGZLZ-OIBJUYFYSA-N -1 3 272.268 1.374 20 5 CDBDHM C[C@@H](CO)[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603566781 1175566576 /nfs/dbraw/zinc/56/65/76/1175566576.db2.gz VSCPHDQFWQWJMQ-JGVFFNPUSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H](CO)[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603566781 1175566586 /nfs/dbraw/zinc/56/65/86/1175566586.db2.gz VSCPHDQFWQWJMQ-JGVFFNPUSA-N -1 3 292.299 1.204 20 5 CDBDHM Cc1cc(=O)[n-]c([C@H](C)n2nc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000829837939 757833471 /nfs/dbraw/zinc/83/34/71/757833471.db2.gz PFTYKSYVVWJYEC-LURJTMIESA-N -1 3 294.227 1.113 20 5 CDBDHM CCN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CC1 ZINC001106652511 914101032 /nfs/dbraw/zinc/10/10/32/914101032.db2.gz WEBIOMRVDJKDRJ-UHFFFAOYSA-N -1 3 294.311 1.366 20 5 CDBDHM COC(=O)c1cncc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199814379 925875964 /nfs/dbraw/zinc/87/59/64/925875964.db2.gz HXKJCNGEODWLJH-UHFFFAOYSA-N -1 3 290.235 1.621 20 5 CDBDHM O=C([N-]Oc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000816685425 930341185 /nfs/dbraw/zinc/34/11/85/930341185.db2.gz PFJRRZGQNJDAIZ-UHFFFAOYSA-N -1 3 275.220 1.419 20 5 CDBDHM Cc1cccc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001164374141 939467667 /nfs/dbraw/zinc/46/76/67/939467667.db2.gz IXYDTERKTCKUTB-JTQLQIEISA-N -1 3 276.296 1.827 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1NCCCc1c[n-][nH]c1=O ZINC001164375617 939468272 /nfs/dbraw/zinc/46/82/72/939468272.db2.gz VHRVEYBLYVAIRQ-JTQLQIEISA-N -1 3 276.296 1.827 20 5 CDBDHM C[C@@H](O)CCCC(=O)Oc1[n-]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227689711 942203767 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LMDGTKKJJXLXJD-UHFFFAOYSA-N -1 3 278.312 1.227 20 5 CDBDHM O=c1[n-]ccc(N2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596088039 343233520 /nfs/dbraw/zinc/23/35/20/343233520.db2.gz LMDGTKKJJXLXJD-UHFFFAOYSA-N -1 3 278.312 1.227 20 5 CDBDHM C[C@@H](O)C[C@@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596136677 343240597 /nfs/dbraw/zinc/24/05/97/343240597.db2.gz WLYJWDMQHHODAE-HTQZYQBOSA-N -1 3 255.274 1.514 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000596142599 343242151 /nfs/dbraw/zinc/24/21/51/343242151.db2.gz UBBDFMXRURSNRZ-JTQLQIEISA-N -1 3 276.296 1.146 20 5 CDBDHM CSC[C@H](CCO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596143687 343242636 /nfs/dbraw/zinc/24/26/36/343242636.db2.gz GJQNLAGGNSRGAC-ZETCQYMHSA-N -1 3 273.314 1.221 20 5 CDBDHM CN(CCn1cccn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596121348 343248217 /nfs/dbraw/zinc/24/82/17/343248217.db2.gz WGIKUSILLYDMIW-UHFFFAOYSA-N -1 3 263.257 1.028 20 5 CDBDHM CC(C)n1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])nn1 ZINC000596239903 343284194 /nfs/dbraw/zinc/28/41/94/343284194.db2.gz OJPGUJXEGCNNFH-UHFFFAOYSA-N -1 3 278.272 1.480 20 5 CDBDHM O=c1[n-]ccc(NCCC2(CO)CC2)c1[N+](=O)[O-] ZINC000596256551 343276332 /nfs/dbraw/zinc/27/63/32/343276332.db2.gz CFLPSNYRMJPAEA-UHFFFAOYSA-N -1 3 253.258 1.270 20 5 CDBDHM O=[N+]([O-])c1ccccc1CSCCc1nnn[n-]1 ZINC000603338715 344781381 /nfs/dbraw/zinc/78/13/81/344781381.db2.gz VDBRGWLGAWBSDK-UHFFFAOYSA-N -1 3 265.298 1.584 20 5 CDBDHM O=[N+]([O-])c1ccccc1CSCCc1nn[n-]n1 ZINC000603338715 344781383 /nfs/dbraw/zinc/78/13/83/344781383.db2.gz VDBRGWLGAWBSDK-UHFFFAOYSA-N -1 3 265.298 1.584 20 5 CDBDHM Cc1cc(SCCc2nnn[n-]2)c([N+](=O)[O-])s1 ZINC000603398396 344798944 /nfs/dbraw/zinc/79/89/44/344798944.db2.gz UTDLFWRJNPQWDO-UHFFFAOYSA-N -1 3 271.327 1.813 20 5 CDBDHM Cc1cc(SCCc2nn[n-]n2)c([N+](=O)[O-])s1 ZINC000603398396 344798947 /nfs/dbraw/zinc/79/89/47/344798947.db2.gz UTDLFWRJNPQWDO-UHFFFAOYSA-N -1 3 271.327 1.813 20 5 CDBDHM Cc1occc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000604306854 344875382 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WRLVCTSAICDNRK-GQCTYLIASA-N -1 3 298.270 1.831 20 5 CDBDHM COCCCO[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000288105569 197005430 /nfs/dbraw/zinc/00/54/30/197005430.db2.gz LFRGMCLWFBNQCJ-UHFFFAOYSA-N -1 3 288.687 1.946 20 5 CDBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000451088398 390595526 /nfs/dbraw/zinc/59/55/26/390595526.db2.gz XZDRNWNHBZJEFN-VIFPVBQESA-N -1 3 294.279 1.917 20 5 CDBDHM Cc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000186783615 140069482 /nfs/dbraw/zinc/06/94/82/140069482.db2.gz YZKADZOONFPABO-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)N1 ZINC000262263553 149042572 /nfs/dbraw/zinc/04/25/72/149042572.db2.gz USIFHRDJLIUOIR-IUCAKERBSA-N -1 3 279.296 1.123 20 5 CDBDHM O=[N+]([O-])c1cnn(CC[S@@](=O)c2ccc([O-])cc2)c1 ZINC000158816374 289317898 /nfs/dbraw/zinc/31/78/98/289317898.db2.gz LGJJEQGKGAIIME-IBGZPJMESA-N -1 3 281.293 1.305 20 5 CDBDHM COc1ccc(CN2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] 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COc1nnc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000158186293 289303232 /nfs/dbraw/zinc/30/32/32/289303232.db2.gz DIEBHTSBLWCVQH-AATRIKPKSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000158186293 289303237 /nfs/dbraw/zinc/30/32/37/289303237.db2.gz DIEBHTSBLWCVQH-AATRIKPKSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1n[n-]c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 ZINC000158186293 289303240 /nfs/dbraw/zinc/30/32/40/289303240.db2.gz DIEBHTSBLWCVQH-AATRIKPKSA-N -1 3 289.251 1.373 20 5 CDBDHM Cc1cc(N(C)CC2CN(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600235772 1174420298 /nfs/dbraw/zinc/42/02/98/1174420298.db2.gz PMOBUFBXPZHNGN-UHFFFAOYSA-N -1 3 293.323 1.599 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000730100055 574849962 /nfs/dbraw/zinc/84/99/62/574849962.db2.gz UAEKFIIIHBOXMW-UHFFFAOYSA-N -1 3 283.265 1.394 20 5 CDBDHM CO[C@@H](C)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736962072 575777224 /nfs/dbraw/zinc/77/72/24/575777224.db2.gz 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1173346689 /nfs/dbraw/zinc/34/66/89/1173346689.db2.gz IMINLVGGHSKFOZ-RKDXNWHRSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590313158 1173350246 /nfs/dbraw/zinc/35/02/46/1173350246.db2.gz LOXFJMQEUHFDJN-BQBZGAKWSA-N -1 3 292.274 1.759 20 5 CDBDHM C[C@H]1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590313158 1173350252 /nfs/dbraw/zinc/35/02/52/1173350252.db2.gz LOXFJMQEUHFDJN-BQBZGAKWSA-N -1 3 292.274 1.759 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CCOC1 ZINC001593475231 1174081052 /nfs/dbraw/zinc/08/10/52/1174081052.db2.gz MWYYKUSCODBLSR-MRVPVSSYSA-N -1 3 290.283 1.223 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CCOC1 ZINC001593475231 1174081060 /nfs/dbraw/zinc/08/10/60/1174081060.db2.gz MWYYKUSCODBLSR-MRVPVSSYSA-N -1 3 290.283 1.223 20 5 CDBDHM C[C@H](C[C@H](C)O)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603696052 1175600606 /nfs/dbraw/zinc/60/06/06/1175600606.db2.gz PFOXZUFHSPFWCM-SFYZADRCSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](C[C@H](C)O)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603696052 1175600610 /nfs/dbraw/zinc/60/06/10/1175600610.db2.gz PFOXZUFHSPFWCM-SFYZADRCSA-N -1 3 292.299 1.346 20 5 CDBDHM CC(C)[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001603964364 1175700856 /nfs/dbraw/zinc/70/08/56/1175700856.db2.gz IMLAJZPNCOMSOD-SNVBAGLBSA-N -1 3 281.268 1.215 20 5 CDBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H](C)O ZINC001604064396 1175744530 /nfs/dbraw/zinc/74/45/30/1175744530.db2.gz RVXRLAJRDKVZPF-GMSGAONNSA-N -1 3 292.299 1.346 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@@H]2CCSC2)ccc1-c1nnn[n-]1 ZINC001607079752 1164072172 /nfs/dbraw/zinc/07/21/72/1164072172.db2.gz LGMONCHMIXXHGW-MRVPVSSYSA-N -1 3 292.324 1.692 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000882803470 770408912 /nfs/dbraw/zinc/40/89/12/770408912.db2.gz RGKKJLGGWYHJQW-QMMMGPOBSA-N -1 3 255.249 1.881 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000884743147 772325207 /nfs/dbraw/zinc/32/52/07/772325207.db2.gz WGFPYFHUJKPESK-ONGXEEELSA-N -1 3 279.296 1.701 20 5 CDBDHM Cc1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000795477790 773007229 /nfs/dbraw/zinc/00/72/29/773007229.db2.gz XNBVTVKGMVYYPA-UHFFFAOYSA-N -1 3 278.224 1.084 20 5 CDBDHM COc1nonc1[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC001176360155 914084677 /nfs/dbraw/zinc/08/46/77/914084677.db2.gz LIOXEYPJHHEAHA-UHFFFAOYSA-N -1 3 266.213 1.739 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1O[C@H]1CN2CCC1CC2 ZINC001225491718 902794366 /nfs/dbraw/zinc/79/43/66/902794366.db2.gz SGHWGNKGONVWHP-ZDUSSCGKSA-N -1 3 264.281 1.773 20 5 CDBDHM CO[C@H](C)CCOc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689706 906426625 /nfs/dbraw/zinc/42/66/25/906426625.db2.gz CDJJCDJVRCTQSM-SSDOTTSWSA-N -1 3 266.257 1.670 20 5 CDBDHM COC(=O)c1nn(C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814990 925875508 /nfs/dbraw/zinc/87/55/08/925875508.db2.gz RGPAZCCYTLEDJG-UHFFFAOYSA-N -1 3 292.251 1.564 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@H]1CCC=CO1 ZINC001225661559 941896146 /nfs/dbraw/zinc/89/61/46/941896146.db2.gz MMQXHYRBDHLTTI-MRVPVSSYSA-N -1 3 252.226 1.767 20 5 CDBDHM COC(=O)[C@H]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666543 941897451 /nfs/dbraw/zinc/89/74/51/941897451.db2.gz KJOOWNAEHHXOBH-IUCAKERBSA-N -1 3 296.279 1.806 20 5 CDBDHM CC(=O)[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692082 942204986 /nfs/dbraw/zinc/20/49/86/942204986.db2.gz SUPIHUKMQOFUCO-ZCFIWIBFSA-N -1 3 250.214 1.222 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCOC[C@@H]3F)[n-]c2c1 ZINC001227743633 942216087 /nfs/dbraw/zinc/21/60/87/942216087.db2.gz WDYSJCYNKKQHAD-GZMMTYOYSA-N -1 3 281.243 1.977 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCOC[C@@H]3F)nc2c1 ZINC001227743633 942216091 /nfs/dbraw/zinc/21/60/91/942216091.db2.gz WDYSJCYNKKQHAD-GZMMTYOYSA-N -1 3 281.243 1.977 20 5 CDBDHM C[C@@H]1C[C@H]1c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001256710075 948404166 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COCCCn1ccc([N-]c2ccc([N+](=O)[O-])cn2)n1 ZINC000078334444 342335758 /nfs/dbraw/zinc/33/57/58/342335758.db2.gz RZESORVUDXYCPA-UHFFFAOYSA-N -1 3 277.284 1.966 20 5 CDBDHM CC(=O)NC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596111186 343230344 /nfs/dbraw/zinc/23/03/44/343230344.db2.gz WOQIZFDNOZDLRG-UHFFFAOYSA-N -1 3 294.311 1.555 20 5 CDBDHM CO[C@H]1CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596184910 343251282 /nfs/dbraw/zinc/25/12/82/343251282.db2.gz JXTAPWTZMVZGAO-WPRPVWTQSA-N -1 3 267.285 1.922 20 5 CDBDHM COC[C@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596194212 343254105 /nfs/dbraw/zinc/25/41/05/343254105.db2.gz JUSILKHOWBDYJI-JTQLQIEISA-N -1 3 281.312 1.948 20 5 CDBDHM COC(=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596200719 343263848 /nfs/dbraw/zinc/26/38/48/343263848.db2.gz RYQUAQRTRSKKQT-UHFFFAOYSA-N -1 3 267.241 1.061 20 5 CDBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596220432 343270042 /nfs/dbraw/zinc/27/00/42/343270042.db2.gz NQLRLQPTLJCOQH-VIFPVBQESA-N -1 3 267.285 1.701 20 5 CDBDHM COCCO[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596220564 343270408 /nfs/dbraw/zinc/27/04/08/343270408.db2.gz AGQFLGGEKXIVIG-SNVBAGLBSA-N -1 3 297.311 1.327 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CC23CCOCC3)c1[N+](=O)[O-] ZINC000596257002 343276467 /nfs/dbraw/zinc/27/64/67/343276467.db2.gz GDQIPYVNBDDGSH-VIFPVBQESA-N -1 3 265.269 1.676 20 5 CDBDHM Cc1nnc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596556080 343342392 /nfs/dbraw/zinc/34/23/92/343342392.db2.gz JOMJGJASOSUXOT-UHFFFAOYSA-N -1 3 281.297 1.492 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000516933260 363261292 /nfs/dbraw/zinc/26/12/92/363261292.db2.gz YBPFKZHHEVCBQT-AWEZNQCLSA-N -1 3 294.307 1.900 20 5 CDBDHM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])nn2C)s1 ZINC000360538850 363367251 /nfs/dbraw/zinc/36/72/51/363367251.db2.gz DKNJJHSILRQYRJ-UHFFFAOYSA-N -1 3 296.312 1.556 20 5 CDBDHM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N(C)C1CC1 ZINC000157772849 356946987 /nfs/dbraw/zinc/94/69/87/356946987.db2.gz VVDUFNFEISLHKX-SECBINFHSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@@H]1[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000339064457 359283165 /nfs/dbraw/zinc/28/31/65/359283165.db2.gz GNBWMKOPSASZMO-GHMZBOCLSA-N -1 3 279.340 1.825 20 5 CDBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ccon1 ZINC000347945722 359960210 /nfs/dbraw/zinc/96/02/10/359960210.db2.gz DPJUZWOPXLDTCR-UHFFFAOYSA-N -1 3 251.173 1.974 20 5 CDBDHM CC[C@@H](C)n1nc([N-]c2c([N+](=O)[O-])ncn2C)cc1C ZINC000342783115 360095874 /nfs/dbraw/zinc/09/58/74/360095874.db2.gz HQLVLVLEGIDCBG-MRVPVSSYSA-N -1 3 278.316 1.970 20 5 CDBDHM O=C([N-]c1nnc2n1CCCC2)c1csc([N+](=O)[O-])c1 ZINC000180889290 189281974 /nfs/dbraw/zinc/28/19/74/189281974.db2.gz SMDUBKZQMOZCLE-UHFFFAOYSA-N -1 3 293.308 1.836 20 5 CDBDHM C[C@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1C ZINC000386459663 367009114 /nfs/dbraw/zinc/00/91/14/367009114.db2.gz IHLOMZVWQJTKOC-IUCAKERBSA-N -1 3 294.311 1.583 20 5 CDBDHM CO[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294276843 371028449 /nfs/dbraw/zinc/02/84/49/371028449.db2.gz DRBFJNCLZFMCEZ-UHFFFAOYSA-N -1 3 252.226 1.235 20 5 CDBDHM COCC(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000066936589 374372833 /nfs/dbraw/zinc/37/28/33/374372833.db2.gz HOYRZJNZOMBEDF-UHFFFAOYSA-N -1 3 288.325 1.298 20 5 CDBDHM CSCCO[N-]C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000280005044 374978545 /nfs/dbraw/zinc/97/85/45/374978545.db2.gz MQHVLBKHHDGFJD-UHFFFAOYSA-N -1 3 288.329 1.466 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C2CC(C)C2)c([N+](=O)[O-])c1 ZINC000332471352 375034277 /nfs/dbraw/zinc/03/42/77/375034277.db2.gz SFMSVSCTSOGHNC-UHFFFAOYSA-N -1 3 284.337 1.980 20 5 CDBDHM COc1ccc(S(=O)(=O)[N-]C2CC=CC2)c([N+](=O)[O-])c1 ZINC000132210160 375415264 /nfs/dbraw/zinc/41/52/64/375415264.db2.gz UKJLGRUXPHPUAS-UHFFFAOYSA-N -1 3 298.320 1.600 20 5 CDBDHM Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n1C ZINC000345367133 378285816 /nfs/dbraw/zinc/28/58/16/378285816.db2.gz CUZHKVJKJBKJIW-UHFFFAOYSA-N -1 3 279.231 1.423 20 5 CDBDHM COc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000028812879 378575336 /nfs/dbraw/zinc/57/53/36/378575336.db2.gz HJHJXFFPWKELDT-UHFFFAOYSA-N -1 3 289.247 1.544 20 5 CDBDHM COCc1nnc(Sc2c([N+](=O)[O-])c(C)nn2C)[n-]1 ZINC000268515550 132020240 /nfs/dbraw/zinc/02/02/40/132020240.db2.gz YCBDEAZWEIHGNE-UHFFFAOYSA-N -1 3 284.301 1.052 20 5 CDBDHM COCc1nc(Sc2c([N+](=O)[O-])c(C)nn2C)n[n-]1 ZINC000268515550 132020241 /nfs/dbraw/zinc/02/02/41/132020241.db2.gz YCBDEAZWEIHGNE-UHFFFAOYSA-N -1 3 284.301 1.052 20 5 CDBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]O[C@@H]1CCOC1 ZINC000493793738 393221094 /nfs/dbraw/zinc/22/10/94/393221094.db2.gz RDQNSKQJUQEKTK-MVIFTORASA-N -1 3 278.264 1.445 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCF)c1C ZINC000134509243 279781480 /nfs/dbraw/zinc/78/14/80/279781480.db2.gz AUXWBFOVVLLAKZ-UHFFFAOYSA-N -1 3 290.316 1.850 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000524379151 281108444 /nfs/dbraw/zinc/10/84/44/281108444.db2.gz MRWYKLFUIHPAON-VIFPVBQESA-N -1 3 280.259 1.658 20 5 CDBDHM CC/C=C\CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590531540 1173456176 /nfs/dbraw/zinc/45/61/76/1173456176.db2.gz MYLFYSPGXFOFPY-ARJAWSKDSA-N -1 3 275.272 1.548 20 5 CDBDHM CC/C=C\CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590531540 1173456179 /nfs/dbraw/zinc/45/61/79/1173456179.db2.gz MYLFYSPGXFOFPY-ARJAWSKDSA-N -1 3 275.272 1.548 20 5 CDBDHM CC[C@@](C)(NCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000050016100 523660727 /nfs/dbraw/zinc/66/07/27/523660727.db2.gz SACPZXGJUOCKJW-GFCCVEGCSA-N -1 3 252.270 1.938 20 5 CDBDHM COc1ccnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000340764539 524847040 /nfs/dbraw/zinc/84/70/40/524847040.db2.gz CEHKINFQBIVQSS-UHFFFAOYSA-N -1 3 290.235 1.351 20 5 CDBDHM COc1cccc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c1F ZINC000771522555 575587022 /nfs/dbraw/zinc/58/70/22/575587022.db2.gz GYNNMYIXSFOWFS-UHFFFAOYSA-N -1 3 280.215 1.718 20 5 CDBDHM O=[N+]([O-])c1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000738367976 576063023 /nfs/dbraw/zinc/06/30/23/576063023.db2.gz AJJQCRXGQWQSOP-UHFFFAOYSA-N -1 3 275.203 1.100 20 5 CDBDHM COc1cccc(C(=O)[N-]O[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000767797925 576230519 /nfs/dbraw/zinc/23/05/19/576230519.db2.gz VDDRXKXWHWWEAM-LLVKDONJSA-N -1 3 296.279 1.791 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CO)C1CC1 ZINC000763435989 576736827 /nfs/dbraw/zinc/73/68/27/576736827.db2.gz YRJBMMZMKYYBSI-LLVKDONJSA-N -1 3 252.270 1.161 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1ccon1 ZINC000756893540 577013459 /nfs/dbraw/zinc/01/34/59/577013459.db2.gz RMGPINXLIMJZAN-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820467654 599100230 /nfs/dbraw/zinc/10/02/30/599100230.db2.gz KZRUSURHOUFXJI-BQBZGAKWSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820467654 599100232 /nfs/dbraw/zinc/10/02/32/599100232.db2.gz KZRUSURHOUFXJI-BQBZGAKWSA-N -1 3 295.324 1.636 20 5 CDBDHM CC(C)CONc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609097027 1164770911 /nfs/dbraw/zinc/77/09/11/1164770911.db2.gz VIKQLWAAVNZYRT-UHFFFAOYSA-N -1 3 278.272 1.774 20 5 CDBDHM CC(C)CONc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609097027 1164770917 /nfs/dbraw/zinc/77/09/17/1164770917.db2.gz VIKQLWAAVNZYRT-UHFFFAOYSA-N -1 3 278.272 1.774 20 5 CDBDHM CC(C)OCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589748245 1173174387 /nfs/dbraw/zinc/17/43/87/1173174387.db2.gz ALUASCUBEQLGAZ-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM CC(C)OCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589748245 1173174389 /nfs/dbraw/zinc/17/43/89/1173174389.db2.gz ALUASCUBEQLGAZ-UHFFFAOYSA-N -1 3 292.299 1.612 20 5 CDBDHM CCC[C@@H](O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590559803 1173463567 /nfs/dbraw/zinc/46/35/67/1173463567.db2.gz JOKSAHWVMRLKCP-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](O)C[C@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603696051 1175602176 /nfs/dbraw/zinc/60/21/76/1175602176.db2.gz PFOXZUFHSPFWCM-JGVFFNPUSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](O)C[C@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603696051 1175602179 /nfs/dbraw/zinc/60/21/79/1175602179.db2.gz PFOXZUFHSPFWCM-JGVFFNPUSA-N -1 3 292.299 1.346 20 5 CDBDHM CC1(F)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609150209 1164797537 /nfs/dbraw/zinc/79/75/37/1164797537.db2.gz QENJRGJCKQOLGH-UHFFFAOYSA-N -1 3 278.247 1.323 20 5 CDBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](C)O ZINC001609194839 1164837583 /nfs/dbraw/zinc/83/75/83/1164837583.db2.gz PJFCUCWWAOSCAX-XVKPBYJWSA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](C)O ZINC001609194839 1164837587 /nfs/dbraw/zinc/83/75/87/1164837587.db2.gz PJFCUCWWAOSCAX-XVKPBYJWSA-N -1 3 292.299 1.346 20 5 CDBDHM CC(C)OCCO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000868493571 775077142 /nfs/dbraw/zinc/07/71/42/775077142.db2.gz UBHXDKSRWVMPEY-UHFFFAOYSA-N -1 3 286.259 1.820 20 5 CDBDHM CCOCCO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000867492503 775409701 /nfs/dbraw/zinc/40/97/01/775409701.db2.gz JLUSWJDJMNXBEQ-UHFFFAOYSA-N -1 3 272.232 1.432 20 5 CDBDHM O=c1[n-]ccc(N2CCC(n3cccn3)CC2)c1[N+](=O)[O-] ZINC000853235099 779461384 /nfs/dbraw/zinc/46/13/84/779461384.db2.gz JZVYERDCZFQAQS-UHFFFAOYSA-N -1 3 289.295 1.733 20 5 CDBDHM Cc1cnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001153979803 937487067 /nfs/dbraw/zinc/48/70/67/937487067.db2.gz VJSDNEFNMKLBJE-UHFFFAOYSA-N -1 3 264.197 1.244 20 5 CDBDHM Cc1ncc(Nc2ccc([N+](=O)[O-])c(C)n2)c(=O)[n-]1 ZINC001162298552 938973783 /nfs/dbraw/zinc/97/37/83/938973783.db2.gz SHADIVLBTNDKIQ-MRVPVSSYSA-N -1 3 261.241 1.108 20 5 CDBDHM Cc1c([C@@H](C)Oc2nccc([O-])c2[N+](=O)[O-])cnn1C ZINC001225662238 941895856 /nfs/dbraw/zinc/89/58/56/941895856.db2.gz RVSAJWABZROSRO-MRVPVSSYSA-N -1 3 278.268 1.877 20 5 CDBDHM C[C@@H](OC1=NC(=O)CC([O-])=N1)c1cccc([N+](=O)[O-])c1 ZINC001228387444 942308300 /nfs/dbraw/zinc/30/83/00/942308300.db2.gz AIWHAYVRVGJIRF-SSDOTTSWSA-N -1 3 277.236 1.936 20 5 CDBDHM COC(=O)[C@H]1C[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228687648 942357276 /nfs/dbraw/zinc/35/72/76/942357276.db2.gz ZDTZSKRKZDOZPE-ZKCHVHJHSA-N -1 3 282.252 1.334 20 5 CDBDHM C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC001603250410 972419128 /nfs/dbraw/zinc/41/91/28/972419128.db2.gz ASRIQUQIIINABX-LURJTMIESA-N -1 3 264.241 1.034 20 5 CDBDHM CC[C@H](C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001603573672 973706657 /nfs/dbraw/zinc/70/66/57/973706657.db2.gz QVDXEOJJDBDEMG-MRVPVSSYSA-N -1 3 298.295 1.509 20 5 CDBDHM C[C@@](CO)(NCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001592748725 979298753 /nfs/dbraw/zinc/29/87/53/979298753.db2.gz BWYKUTHUDKPKIH-NSHDSACASA-N -1 3 288.687 1.173 20 5 CDBDHM CN(CC(C)(C)C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604713043 1163291561 /nfs/dbraw/zinc/29/15/61/1163291561.db2.gz VJVPPZBKLZOWGK-UHFFFAOYSA-N -1 3 291.315 1.652 20 5 CDBDHM CN(CC(C)(C)C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604713043 1163291564 /nfs/dbraw/zinc/29/15/64/1163291564.db2.gz VJVPPZBKLZOWGK-UHFFFAOYSA-N -1 3 291.315 1.652 20 5 CDBDHM O=[N+]([O-])c1ccc(NCC2CSC2)c(-c2nn[n-]n2)c1 ZINC001593478794 1174082090 /nfs/dbraw/zinc/08/20/90/1174082090.db2.gz XSRJWLHRIFRQNX-UHFFFAOYSA-N -1 3 292.324 1.550 20 5 CDBDHM CCOCCOCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596204607 343264926 /nfs/dbraw/zinc/26/49/26/343264926.db2.gz BGLVBIKUIDIXDN-UHFFFAOYSA-N -1 3 285.300 1.185 20 5 CDBDHM CCCc1[nH]nc(C(=O)[N-]c2cnns2)c1[N+](=O)[O-] ZINC000189587950 358028715 /nfs/dbraw/zinc/02/87/15/358028715.db2.gz PECYBEQWHQYODZ-UHFFFAOYSA-N -1 3 282.285 1.374 20 5 CDBDHM C[C@H](C(=O)[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000051659097 358962973 /nfs/dbraw/zinc/96/29/73/358962973.db2.gz UTUVLXUNIPMVAL-SNVBAGLBSA-N -1 3 279.296 1.190 20 5 CDBDHM CN(CCN(C)C1CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339097829 359288630 /nfs/dbraw/zinc/28/86/30/359288630.db2.gz WLRAFZNCFHWCBL-UHFFFAOYSA-N -1 3 279.340 1.826 20 5 CDBDHM C[C@@]1(C(=O)[O-])CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000571649979 359595552 /nfs/dbraw/zinc/59/55/52/359595552.db2.gz YLNGIXSQQVNMHR-CQSZACIVSA-N -1 3 294.307 1.770 20 5 CDBDHM NC(=O)[C@H]([N-]c1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000302137520 201358868 /nfs/dbraw/zinc/35/88/68/201358868.db2.gz BWIRUWQVWDVUSM-SNVBAGLBSA-N -1 3 273.252 1.023 20 5 CDBDHM C[C@@H]1C[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1C ZINC000386459665 367009724 /nfs/dbraw/zinc/00/97/24/367009724.db2.gz IHLOMZVWQJTKOC-RKDXNWHRSA-N -1 3 294.311 1.583 20 5 CDBDHM CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2N)[n-]1 ZINC000344933468 375664607 /nfs/dbraw/zinc/66/46/07/375664607.db2.gz NSLDCIZDQKQDMS-UHFFFAOYSA-N -1 3 294.296 1.269 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000344933468 375664611 /nfs/dbraw/zinc/66/46/11/375664611.db2.gz NSLDCIZDQKQDMS-UHFFFAOYSA-N -1 3 294.296 1.269 20 5 CDBDHM CSc1nc(NC(=O)c2cccc([N+](=O)[O-])c2N)n[n-]1 ZINC000344933468 375664615 /nfs/dbraw/zinc/66/46/15/375664615.db2.gz NSLDCIZDQKQDMS-UHFFFAOYSA-N -1 3 294.296 1.269 20 5 CDBDHM COc1cc(CNCC(C)(C)OC)c([N+](=O)[O-])cc1[O-] ZINC000174596007 379534107 /nfs/dbraw/zinc/53/41/07/379534107.db2.gz KGJKHLSMCDGWSJ-UHFFFAOYSA-N -1 3 284.312 1.824 20 5 CDBDHM COCCCO[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000288105788 197005510 /nfs/dbraw/zinc/00/55/10/197005510.db2.gz LGUJIVPLNQZZMD-UHFFFAOYSA-N -1 3 272.232 1.432 20 5 CDBDHM COc1cccc(C(=O)[N-]c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000192520348 390988864 /nfs/dbraw/zinc/98/88/64/390988864.db2.gz ZXDISJXRFBWWAT-UHFFFAOYSA-N -1 3 277.240 1.282 20 5 CDBDHM CCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225848119 393200003 /nfs/dbraw/zinc/20/00/03/393200003.db2.gz PNVMJKMTMIRKSB-UHFFFAOYSA-N -1 3 295.339 1.714 20 5 CDBDHM Cc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000186822505 140071145 /nfs/dbraw/zinc/07/11/45/140071145.db2.gz PQFQPCCNSSISQO-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM NC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000236193738 140239293 /nfs/dbraw/zinc/23/92/93/140239293.db2.gz MTKHUGSRRWYQBK-UHFFFAOYSA-N -1 3 279.296 1.901 20 5 CDBDHM CC[C@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000044622351 175220418 /nfs/dbraw/zinc/22/04/18/175220418.db2.gz XKGACHCRWVCGKN-SNVBAGLBSA-N -1 3 252.270 1.890 20 5 CDBDHM C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083981210 277290823 /nfs/dbraw/zinc/29/08/23/277290823.db2.gz OHFIDPMHIPUZKB-UHFFFAOYSA-N -1 3 264.690 1.465 20 5 CDBDHM Cc1ccc(CN[C@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC001600419273 1174470628 /nfs/dbraw/zinc/47/06/28/1174470628.db2.gz SNINHOKMAQGCSN-AWEZNQCLSA-N -1 3 294.307 1.627 20 5 CDBDHM CSc1nnc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[n-]1 ZINC000727486908 574585866 /nfs/dbraw/zinc/58/58/66/574585866.db2.gz UPRJOLNHWRPXJH-UHFFFAOYSA-N -1 3 294.296 1.269 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000727486908 574585868 /nfs/dbraw/zinc/58/58/68/574585868.db2.gz UPRJOLNHWRPXJH-UHFFFAOYSA-N -1 3 294.296 1.269 20 5 CDBDHM CSc1nc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[n-]1 ZINC000727486908 574585869 /nfs/dbraw/zinc/58/58/69/574585869.db2.gz UPRJOLNHWRPXJH-UHFFFAOYSA-N -1 3 294.296 1.269 20 5 CDBDHM COCCO[N-]C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000758512837 577113103 /nfs/dbraw/zinc/11/31/03/577113103.db2.gz GCCPFZAGXDGZGM-UHFFFAOYSA-N -1 3 272.232 1.350 20 5 CDBDHM C[C@@]1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOC1 ZINC000824837634 607905199 /nfs/dbraw/zinc/90/51/99/607905199.db2.gz ICLXGMBQQXSNCQ-GFCCVEGCSA-N -1 3 290.283 1.366 20 5 CDBDHM C[C@@]1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOC1 ZINC000824837634 607905200 /nfs/dbraw/zinc/90/52/00/607905200.db2.gz ICLXGMBQQXSNCQ-GFCCVEGCSA-N -1 3 290.283 1.366 20 5 CDBDHM O=C([N-][C@]12C[C@H]1COC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000894183415 618668911 /nfs/dbraw/zinc/66/89/11/618668911.db2.gz RFNKOWKGUQZQKP-CABZTGNLSA-N -1 3 298.245 1.592 20 5 CDBDHM O=C([O-])C12CCC(CC1)N2Cc1cccnc1[N+](=O)[O-] ZINC000903606873 626033334 /nfs/dbraw/zinc/03/33/34/626033334.db2.gz GBQZWLCBJNNFKQ-UHFFFAOYSA-N -1 3 277.280 1.571 20 5 CDBDHM O=[N+]([O-])c1cc(NCc2ccccn2)ccc1-c1nnn[n-]1 ZINC001607080550 1164070625 /nfs/dbraw/zinc/07/06/25/1164070625.db2.gz WKEPIDZAHNKLTF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001607079092 1164071185 /nfs/dbraw/zinc/07/11/85/1164071185.db2.gz HNSCCIVRLUOWIG-ILWJIGKKSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001607079092 1164071192 /nfs/dbraw/zinc/07/11/92/1164071192.db2.gz HNSCCIVRLUOWIG-ILWJIGKKSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607082224 1164071202 /nfs/dbraw/zinc/07/12/02/1164071202.db2.gz SWNQDSOQOIBXSP-HQJQHLMTSA-N -1 3 272.268 1.374 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607082224 1164071208 /nfs/dbraw/zinc/07/12/08/1164071208.db2.gz SWNQDSOQOIBXSP-HQJQHLMTSA-N -1 3 272.268 1.374 20 5 CDBDHM O=[N+]([O-])c1ccc(CCn2cc(-c3nnn[n-]3)cn2)cc1 ZINC001607082509 1164071765 /nfs/dbraw/zinc/07/17/65/1164071765.db2.gz YMDCXPYDHGRTGD-UHFFFAOYSA-N -1 3 285.267 1.214 20 5 CDBDHM O=[N+]([O-])c1ccc(CCn2cc(-c3nn[n-]n3)cn2)cc1 ZINC001607082509 1164071772 /nfs/dbraw/zinc/07/17/72/1164071772.db2.gz YMDCXPYDHGRTGD-UHFFFAOYSA-N -1 3 285.267 1.214 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H]3C[C@H]32)c(-c2nnn[n-]2)c1 ZINC001607086929 1164074381 /nfs/dbraw/zinc/07/43/81/1164074381.db2.gz UYXUMCKAPACIIG-OIBJUYFYSA-N -1 3 287.283 1.159 20 5 CDBDHM O=[N+]([O-])c1cnc(N2CCC[C@H]3C[C@H]32)c(-c2nn[n-]n2)c1 ZINC001607086929 1164074390 /nfs/dbraw/zinc/07/43/90/1164074390.db2.gz UYXUMCKAPACIIG-OIBJUYFYSA-N -1 3 287.283 1.159 20 5 CDBDHM O=C([O-])[C@@]1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC001608576739 1164554697 /nfs/dbraw/zinc/55/46/97/1164554697.db2.gz JIQGMFOHIDPLLP-GFCCVEGCSA-N -1 3 284.243 1.067 20 5 CDBDHM CC1(F)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609150209 1164797528 /nfs/dbraw/zinc/79/75/28/1164797528.db2.gz QENJRGJCKQOLGH-UHFFFAOYSA-N -1 3 278.247 1.323 20 5 CDBDHM CC[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001609190826 1164833495 /nfs/dbraw/zinc/83/34/95/1164833495.db2.gz XIDCQDHOLUZAHP-SECBINFHSA-N -1 3 292.299 1.612 20 5 CDBDHM CC[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001609190826 1164833505 /nfs/dbraw/zinc/83/35/05/1164833505.db2.gz XIDCQDHOLUZAHP-SECBINFHSA-N -1 3 292.299 1.612 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC=CC2)c(-c2nnn[n-]2)c1 ZINC001582804116 1172693047 /nfs/dbraw/zinc/69/30/47/1172693047.db2.gz JLCDADSGHRWVKV-UHFFFAOYSA-N -1 3 258.241 1.151 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC=CC2)c(-c2nn[n-]n2)c1 ZINC001582804116 1172693052 /nfs/dbraw/zinc/69/30/52/1172693052.db2.gz JLCDADSGHRWVKV-UHFFFAOYSA-N -1 3 258.241 1.151 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CC=CCC1 ZINC001593470730 1174079092 /nfs/dbraw/zinc/07/90/92/1174079092.db2.gz LBXVEBNXKONVLT-SECBINFHSA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CC=CCC1 ZINC001593470730 1174079096 /nfs/dbraw/zinc/07/90/96/1174079096.db2.gz LBXVEBNXKONVLT-SECBINFHSA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1ccc(NCC2CSC2)c(-c2nnn[n-]2)c1 ZINC001593478794 1174082085 /nfs/dbraw/zinc/08/20/85/1174082085.db2.gz XSRJWLHRIFRQNX-UHFFFAOYSA-N -1 3 292.324 1.550 20 5 CDBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001593487936 1174085301 /nfs/dbraw/zinc/08/53/01/1174085301.db2.gz VMADVIXEYHPSJI-UHFFFAOYSA-N -1 3 285.223 1.357 20 5 CDBDHM CC[C@@](C)(O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609184174 1164822226 /nfs/dbraw/zinc/82/22/26/1164822226.db2.gz RHYFEZBZWIKVRL-GFCCVEGCSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@](C)(O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609184174 1164822230 /nfs/dbraw/zinc/82/22/30/1164822230.db2.gz RHYFEZBZWIKVRL-GFCCVEGCSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2CO)c1 ZINC001199815289 925876794 /nfs/dbraw/zinc/87/67/94/925876794.db2.gz YOUISPBTBBKJDP-UHFFFAOYSA-N -1 3 261.237 1.931 20 5 CDBDHM CNc1cc([N+](=O)[O-])cnc1NCc1ncccc1[O-] ZINC001169733050 928395789 /nfs/dbraw/zinc/39/57/89/928395789.db2.gz MXENVXBPOWJETL-UHFFFAOYSA-N -1 3 275.268 1.744 20 5 CDBDHM O=c1[n-]ccc(NCCCCCCO)c1[N+](=O)[O-] ZINC000695455808 937265267 /nfs/dbraw/zinc/26/52/67/937265267.db2.gz LOKAASAARPYWHF-UHFFFAOYSA-N -1 3 255.274 1.660 20 5 CDBDHM O=[N+]([O-])c1cnc(OC2CCC(O)CC2)c2[n-]cnc21 ZINC001218366068 941210413 /nfs/dbraw/zinc/21/04/13/941210413.db2.gz JCNHLWKLALAMTB-UHFFFAOYSA-N -1 3 278.268 1.548 20 5 CDBDHM CO[C@H](C)CO[C@@H](C)COc1nccc([O-])c1[N+](=O)[O-] ZINC001225664919 941897531 /nfs/dbraw/zinc/89/75/31/941897531.db2.gz ULQHEEYQTRZYHB-BDAKNGLRSA-N -1 3 286.284 1.514 20 5 CDBDHM Cc1cnc(=S)[n-]c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001225742109 941906575 /nfs/dbraw/zinc/90/65/75/941906575.db2.gz GSMGYDPSVWCZPP-MRVPVSSYSA-N -1 3 255.299 1.508 20 5 CDBDHM CCOC(=O)C[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693228 942205351 /nfs/dbraw/zinc/20/53/51/942205351.db2.gz PLZZYKDZJUTYFO-SSDOTTSWSA-N -1 3 294.267 1.587 20 5 CDBDHM COC(=O)C1CC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692789 942205569 /nfs/dbraw/zinc/20/55/69/942205569.db2.gz DBDLPXOAPZEBDT-UHFFFAOYSA-N -1 3 292.251 1.197 20 5 CDBDHM C[C@H]1C[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CCO1 ZINC001227691389 942205594 /nfs/dbraw/zinc/20/55/94/942205594.db2.gz NLHDYQDPNCRLHL-YUMQZZPRSA-N -1 3 278.268 1.812 20 5 CDBDHM CCOC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686252 942357130 /nfs/dbraw/zinc/35/71/30/942357130.db2.gz NAPFSDQMAOTNCW-SSDOTTSWSA-N -1 3 256.258 1.808 20 5 CDBDHM Cc1c(CC(=O)[N-]OCCOC(C)C)cccc1[N+](=O)[O-] ZINC000812800792 1163732224 /nfs/dbraw/zinc/73/22/24/1163732224.db2.gz FTZUTEBDYMDTTL-UHFFFAOYSA-N -1 3 296.323 1.919 20 5 CDBDHM CCOC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596089428 343233782 /nfs/dbraw/zinc/23/37/82/343233782.db2.gz YWIYDIGGCYGPQR-UHFFFAOYSA-N -1 3 267.285 1.701 20 5 CDBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596126464 343237208 /nfs/dbraw/zinc/23/72/08/343237208.db2.gz TYINMPOUCSJVNH-LLVKDONJSA-N -1 3 253.258 1.268 20 5 CDBDHM CCC[C@H](CCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596145703 343243349 /nfs/dbraw/zinc/24/33/49/343243349.db2.gz XAXUYWDEUGOVOP-SECBINFHSA-N -1 3 269.301 1.906 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000596156201 343247714 /nfs/dbraw/zinc/24/77/14/343247714.db2.gz GWCJOICCGRFZEY-GHMZBOCLSA-N -1 3 295.295 1.080 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000596220812 343270552 /nfs/dbraw/zinc/27/05/52/343270552.db2.gz BRJAMRDUVOQMMJ-KWQFWETISA-N -1 3 279.296 1.699 20 5 CDBDHM CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598343012 343771140 /nfs/dbraw/zinc/77/11/40/343771140.db2.gz RNSGEBLYEZLPIO-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCC1CC1 ZINC000293677197 362917890 /nfs/dbraw/zinc/91/78/90/362917890.db2.gz AQRDPCMSNPBYEW-UHFFFAOYSA-N -1 3 250.254 1.595 20 5 CDBDHM O=C([O-])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062134448 363013678 /nfs/dbraw/zinc/01/36/78/363013678.db2.gz BKONMYYIXAIJJM-JTQLQIEISA-N -1 3 250.254 1.501 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000412996329 363037661 /nfs/dbraw/zinc/03/76/61/363037661.db2.gz UQNICHLJSLHDDW-UHFFFAOYSA-N -1 3 275.268 1.521 20 5 CDBDHM CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181820459 357382926 /nfs/dbraw/zinc/38/29/26/357382926.db2.gz UYUUDIXPNWLYPF-NSHDSACASA-N -1 3 293.323 1.515 20 5 CDBDHM CNc1c(C(=O)Nc2ncccc2[O-])cccc1[N+](=O)[O-] ZINC000360923804 357751131 /nfs/dbraw/zinc/75/11/31/357751131.db2.gz DKLUFAFFJSPUJK-UHFFFAOYSA-N -1 3 288.263 1.989 20 5 CDBDHM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OC[C@H]1CCOC1 ZINC000187868492 357817130 /nfs/dbraw/zinc/81/71/30/357817130.db2.gz BPUDPKFMIFWEQG-JTQLQIEISA-N -1 3 280.280 1.222 20 5 CDBDHM Cc1c(CC(=O)[N-]OC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000187978306 357830899 /nfs/dbraw/zinc/83/08/99/357830899.db2.gz BLUYLOSMMMJPDN-LLVKDONJSA-N -1 3 294.307 1.530 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1cccnc1[N+](=O)[O-])CC2 ZINC000611006595 358304296 /nfs/dbraw/zinc/30/42/96/358304296.db2.gz KJSUNWYKYLVPFU-UHFFFAOYSA-N -1 3 273.252 1.048 20 5 CDBDHM O=C([N-]c1nc2n(n1)CCCC2)c1csc([N+](=O)[O-])c1 ZINC000457132456 365417856 /nfs/dbraw/zinc/41/78/56/365417856.db2.gz AGJCYDQAJRMIDI-UHFFFAOYSA-N -1 3 293.308 1.836 20 5 CDBDHM O=C([N-]O[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])s1 ZINC000299714951 375196015 /nfs/dbraw/zinc/19/60/15/375196015.db2.gz SEAOQDGZIAFGEY-SECBINFHSA-N -1 3 272.282 1.844 20 5 CDBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000016493772 376028858 /nfs/dbraw/zinc/02/88/58/376028858.db2.gz NSAXSORBXYRLEC-UHFFFAOYSA-N -1 3 289.247 1.956 20 5 CDBDHM C[C@@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000517216484 390968575 /nfs/dbraw/zinc/96/85/75/390968575.db2.gz QMBFLPFRMVROOP-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM CC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186179399 391214600 /nfs/dbraw/zinc/21/46/00/391214600.db2.gz IRDKBWXXPVSQKR-UHFFFAOYSA-N -1 3 278.261 1.041 20 5 CDBDHM COCc1nnc(Sc2ncc(C)cc2[N+](=O)[O-])[n-]1 ZINC000268452470 132011393 /nfs/dbraw/zinc/01/13/93/132011393.db2.gz AXZMHHNIFTXRNJ-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM COCc1n[n-]c(Sc2ncc(C)cc2[N+](=O)[O-])n1 ZINC000268452470 132011395 /nfs/dbraw/zinc/01/13/95/132011395.db2.gz AXZMHHNIFTXRNJ-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM COCc1nc(Sc2ncc(C)cc2[N+](=O)[O-])n[n-]1 ZINC000268452470 132011396 /nfs/dbraw/zinc/01/13/96/132011396.db2.gz AXZMHHNIFTXRNJ-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM CC(C)[C@@H](NCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000043431342 175043622 /nfs/dbraw/zinc/04/36/22/175043622.db2.gz AEGKUNIWCJIZRJ-SECBINFHSA-N -1 3 258.299 1.855 20 5 CDBDHM CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000397806686 270350771 /nfs/dbraw/zinc/35/07/71/270350771.db2.gz XFMMRMXNZQHKLA-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1C ZINC001590316888 1173352428 /nfs/dbraw/zinc/35/24/28/1173352428.db2.gz RTGVKOKBVRYQBS-BQBZGAKWSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1C ZINC001590316888 1173352437 /nfs/dbraw/zinc/35/24/37/1173352437.db2.gz RTGVKOKBVRYQBS-BQBZGAKWSA-N -1 3 275.272 1.015 20 5 CDBDHM CCN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000339192026 279363728 /nfs/dbraw/zinc/36/37/28/279363728.db2.gz IELNBZBPNVETEA-LLVKDONJSA-N -1 3 279.340 1.826 20 5 CDBDHM CC1(C)[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1O ZINC000555582631 290226989 /nfs/dbraw/zinc/22/69/89/290226989.db2.gz HRBFUELIVOQAFH-NEPJUHHUSA-N -1 3 266.297 1.549 20 5 CDBDHM NC(=O)[C@@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339084867 295107260 /nfs/dbraw/zinc/10/72/60/295107260.db2.gz HXJUBSULHUDGPT-VXGBXAGGSA-N -1 3 293.323 1.434 20 5 CDBDHM C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C ZINC000437002570 297282363 /nfs/dbraw/zinc/28/23/63/297282363.db2.gz SXHWOLABEFQKEQ-ZJUUUORDSA-N -1 3 293.323 1.513 20 5 CDBDHM COCc1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000340823478 523152236 /nfs/dbraw/zinc/15/22/36/523152236.db2.gz UQQCXIQQQACOSA-UHFFFAOYSA-N -1 3 283.269 1.173 20 5 CDBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCN(C)CC1 ZINC000184577464 523937753 /nfs/dbraw/zinc/93/77/53/523937753.db2.gz MAEIDNUYPMCHOY-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cccnc1 ZINC000049239703 527401172 /nfs/dbraw/zinc/40/11/72/527401172.db2.gz JUTKOKHEYJPWSJ-UHFFFAOYSA-N -1 3 293.304 1.468 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000738370385 576063288 /nfs/dbraw/zinc/06/32/88/576063288.db2.gz PLKHOHFITZSZDO-LDYMZIIASA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000738370385 576063291 /nfs/dbraw/zinc/06/32/91/576063291.db2.gz PLKHOHFITZSZDO-LDYMZIIASA-N -1 3 286.295 1.764 20 5 CDBDHM CCCn1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nn1 ZINC000766313617 576094914 /nfs/dbraw/zinc/09/49/14/576094914.db2.gz VSRQTLWNBVTFQR-UHFFFAOYSA-N -1 3 293.258 1.988 20 5 CDBDHM CC(C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820097659 607344250 /nfs/dbraw/zinc/34/42/50/607344250.db2.gz QJTZFIKPERCDNJ-UHFFFAOYSA-N -1 3 262.273 1.843 20 5 CDBDHM C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825021663 608148349 /nfs/dbraw/zinc/14/83/49/608148349.db2.gz SFHNPLMSDCTRMV-OIBJUYFYSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825021663 608148350 /nfs/dbraw/zinc/14/83/50/608148350.db2.gz SFHNPLMSDCTRMV-OIBJUYFYSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1C ZINC001590316890 1173351631 /nfs/dbraw/zinc/35/16/31/1173351631.db2.gz RTGVKOKBVRYQBS-RNFRBKRXSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1C ZINC001590316890 1173351634 /nfs/dbraw/zinc/35/16/34/1173351634.db2.gz RTGVKOKBVRYQBS-RNFRBKRXSA-N -1 3 275.272 1.015 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593476699 1174081304 /nfs/dbraw/zinc/08/13/04/1174081304.db2.gz VKQSIRFQAPCDAA-IUCAKERBSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593476699 1174081312 /nfs/dbraw/zinc/08/13/12/1174081312.db2.gz VKQSIRFQAPCDAA-IUCAKERBSA-N -1 3 286.295 1.621 20 5 CDBDHM C[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CO1 ZINC001603861289 1175657242 /nfs/dbraw/zinc/65/72/42/1175657242.db2.gz LNLIVRFLSHMDQJ-JGVFFNPUSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CO1 ZINC001603861289 1175657246 /nfs/dbraw/zinc/65/72/46/1175657246.db2.gz LNLIVRFLSHMDQJ-JGVFFNPUSA-N -1 3 290.283 1.364 20 5 CDBDHM CNC(=O)[C@@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339124875 931524297 /nfs/dbraw/zinc/52/42/97/931524297.db2.gz QJLZGJJOUMWBDP-VXGBXAGGSA-N -1 3 293.323 1.305 20 5 CDBDHM CCO[N-]C(=O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000846091572 931970088 /nfs/dbraw/zinc/97/00/88/931970088.db2.gz SAMPRHCWZKRXFM-UHFFFAOYSA-N -1 3 267.285 1.061 20 5 CDBDHM CCN(CCCNC(C)=O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001095821024 934608138 /nfs/dbraw/zinc/60/81/38/934608138.db2.gz QQKSTBNLIVEKDZ-UHFFFAOYSA-N -1 3 282.300 1.048 20 5 CDBDHM Cc1ncc(Nc2ccc3cccc([N+](=O)[O-])c3n2)c(=O)[n-]1 ZINC001162299757 938974194 /nfs/dbraw/zinc/97/41/94/938974194.db2.gz CMWGFMYVNBBHOE-JTQLQIEISA-N -1 3 297.274 1.953 20 5 CDBDHM O=C1CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692983 942205610 /nfs/dbraw/zinc/20/56/10/942205610.db2.gz HYNHJYINLDPURV-UHFFFAOYSA-N -1 3 276.252 1.757 20 5 CDBDHM Cc1[n-]c(=O)cc(OC2CN(C(=O)C(C)C)C2)c1[N+](=O)[O-] ZINC001228689665 942358488 /nfs/dbraw/zinc/35/84/88/942358488.db2.gz VRWBQMJLJLSULM-UHFFFAOYSA-N -1 3 295.295 1.249 20 5 CDBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])s1 ZINC000601195624 342488878 /nfs/dbraw/zinc/48/88/78/342488878.db2.gz RBOXFPHXSMEZGF-MRVPVSSYSA-N -1 3 282.325 1.889 20 5 CDBDHM CC(F)(F)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000590165136 342523730 /nfs/dbraw/zinc/52/37/30/342523730.db2.gz KUEQQHIBBQEYEP-UHFFFAOYSA-N -1 3 280.252 1.528 20 5 CDBDHM CC[C@]1(O)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000601233853 342538389 /nfs/dbraw/zinc/53/83/89/342538389.db2.gz OFNXNKLPVMVTSS-LBPRGKRZSA-N -1 3 267.285 1.437 20 5 CDBDHM COCCN(CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000593744593 342827479 /nfs/dbraw/zinc/82/74/79/342827479.db2.gz PFIHEOHANMNKNG-UHFFFAOYSA-N -1 3 298.295 1.007 20 5 CDBDHM O=[N+]([O-])c1cc([O-])ccc1-n1cc(CNC2CC2)nn1 ZINC000594653424 342934161 /nfs/dbraw/zinc/93/41/61/342934161.db2.gz TVEXGWDDCVGCFO-UHFFFAOYSA-N -1 3 275.268 1.133 20 5 CDBDHM CC(C)[C@@](C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123187 343249007 /nfs/dbraw/zinc/24/90/07/343249007.db2.gz PMMQYEKFSYCMEW-NSHDSACASA-N -1 3 255.274 1.514 20 5 CDBDHM COCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC000596238464 343283433 /nfs/dbraw/zinc/28/34/33/343283433.db2.gz TWOYBNOJPSUHIN-UHFFFAOYSA-N -1 3 297.311 1.551 20 5 CDBDHM CC[C@H](CCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596163325 343256889 /nfs/dbraw/zinc/25/68/89/343256889.db2.gz KKSJOPAQPQHCJM-MRVPVSSYSA-N -1 3 255.274 1.516 20 5 CDBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000596233619 343262570 /nfs/dbraw/zinc/26/25/70/343262570.db2.gz YVVAWUAERJZFNA-WDKLKTEZSA-N -1 3 299.352 1.431 20 5 CDBDHM C[C@H]1OCC[C@@]12CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CCO2 ZINC000596221306 343270481 /nfs/dbraw/zinc/27/04/81/343270481.db2.gz FAGWSLNDDUYPTE-NOZJJQNGSA-N -1 3 295.295 1.080 20 5 CDBDHM COCCn1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596226316 343272203 /nfs/dbraw/zinc/27/22/03/343272203.db2.gz HUJKHLSUTYVOHC-UHFFFAOYSA-N -1 3 293.283 1.150 20 5 CDBDHM CCO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596253608 343275190 /nfs/dbraw/zinc/27/51/90/343275190.db2.gz CDCKFOLWCDWLJF-MWLCHTKSSA-N -1 3 281.312 1.947 20 5 CDBDHM O=C([O-])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000003750242 362256128 /nfs/dbraw/zinc/25/61/28/362256128.db2.gz CKBQUBYMIOIREL-NSHDSACASA-N -1 3 264.281 1.891 20 5 CDBDHM O=C1[N-]N(c2ccc([N+](=O)[O-])cc2F)C(=O)[C@@H]2CCC[C@H]12 ZINC000601940526 344288263 /nfs/dbraw/zinc/28/82/63/344288263.db2.gz RNSBFOLPHYKZEX-DTWKUNHWSA-N -1 3 293.254 1.528 20 5 CDBDHM COc1ccnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000611190643 346683014 /nfs/dbraw/zinc/68/30/14/346683014.db2.gz MIONJVMNYVTZPJ-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Cl)ccc1[O-] ZINC000109091905 357774783 /nfs/dbraw/zinc/77/47/83/357774783.db2.gz QNXZNLHJKVGNOF-UHFFFAOYSA-N -1 3 296.670 1.789 20 5 CDBDHM COc1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)ncn1 ZINC000179017441 315966033 /nfs/dbraw/zinc/96/60/33/315966033.db2.gz APNWAKWOLDCSCQ-UHFFFAOYSA-N -1 3 280.265 1.707 20 5 CDBDHM CCO[N-]C(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000161135887 367243306 /nfs/dbraw/zinc/24/33/06/367243306.db2.gz RFYXJUFSYYJLOP-UHFFFAOYSA-N -1 3 254.242 1.675 20 5 CDBDHM O=C(Nc1ccc2c[nH]nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193391097 370030643 /nfs/dbraw/zinc/03/06/43/370030643.db2.gz WKJBNDDOIBRFNT-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM Cc1ccc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000269737379 374164737 /nfs/dbraw/zinc/16/47/37/374164737.db2.gz YVKIIFIHHYZXSI-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM CCC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000493894249 393224355 /nfs/dbraw/zinc/22/43/55/393224355.db2.gz MQXAHXFZOHKDKQ-UHFFFAOYSA-N -1 3 292.338 1.222 20 5 CDBDHM O=C(Nc1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186783561 140069024 /nfs/dbraw/zinc/06/90/24/140069024.db2.gz RBXHXBIUZWKZJW-UHFFFAOYSA-N -1 3 260.209 1.343 20 5 CDBDHM CC(C)[C@H](NCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000043431340 175043577 /nfs/dbraw/zinc/04/35/77/175043577.db2.gz AEGKUNIWCJIZRJ-VIFPVBQESA-N -1 3 258.299 1.855 20 5 CDBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000152414369 289132317 /nfs/dbraw/zinc/13/23/17/289132317.db2.gz AJQPVPZXMGZAMX-UHFFFAOYSA-N -1 3 298.262 1.822 20 5 CDBDHM Cc1cc(C)nc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000153872638 289184747 /nfs/dbraw/zinc/18/47/47/289184747.db2.gz MLFHXYZTUNZSAY-UHFFFAOYSA-N -1 3 288.263 1.960 20 5 CDBDHM O=c1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)occ1[O-] ZINC000158624149 289313272 /nfs/dbraw/zinc/31/32/72/289313272.db2.gz SCYUQTGSQXRZJQ-UHFFFAOYSA-N -1 3 298.638 1.117 20 5 CDBDHM C[C@H](NC1CC1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000574450066 295001573 /nfs/dbraw/zinc/00/15/73/295001573.db2.gz CSWHALZHKSJVHZ-ZETCQYMHSA-N -1 3 265.269 1.379 20 5 CDBDHM CC[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590860768 1173529836 /nfs/dbraw/zinc/52/98/36/1173529836.db2.gz ZTHZNSXWQRUVPF-VXNVDRBHSA-N -1 3 274.284 1.985 20 5 CDBDHM CC[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590860768 1173529840 /nfs/dbraw/zinc/52/98/40/1173529840.db2.gz ZTHZNSXWQRUVPF-VXNVDRBHSA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@H](CO)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820286714 599107701 /nfs/dbraw/zinc/10/77/01/599107701.db2.gz DPCPNJFVFLCAKF-ZCFIWIBFSA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@H](CO)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820286714 599107705 /nfs/dbraw/zinc/10/77/05/599107705.db2.gz DPCPNJFVFLCAKF-ZCFIWIBFSA-N -1 3 281.297 1.248 20 5 CDBDHM CCC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821039780 606420167 /nfs/dbraw/zinc/42/01/67/606420167.db2.gz GSINFKKCFGNLKX-OIBJUYFYSA-N -1 3 289.299 1.770 20 5 CDBDHM CCC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821039780 606420168 /nfs/dbraw/zinc/42/01/68/606420168.db2.gz GSINFKKCFGNLKX-OIBJUYFYSA-N -1 3 289.299 1.770 20 5 CDBDHM C[C@H]1CC[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609163028 1164808741 /nfs/dbraw/zinc/80/87/41/1164808741.db2.gz QBDBLGLLMKAIJF-IONNQARKSA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@H]1CC[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609163028 1164808747 /nfs/dbraw/zinc/80/87/47/1164808747.db2.gz QBDBLGLLMKAIJF-IONNQARKSA-N -1 3 274.284 1.985 20 5 CDBDHM CN(CC(F)F)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609272870 1164877084 /nfs/dbraw/zinc/87/70/84/1164877084.db2.gz FIAWBAJECQSBOK-UHFFFAOYSA-N -1 3 284.226 1.476 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](F)C1 ZINC001609599869 1164998111 /nfs/dbraw/zinc/99/81/11/1164998111.db2.gz FPWVOSHLPJODSM-SECBINFHSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](F)C1 ZINC001609599869 1164998117 /nfs/dbraw/zinc/99/81/17/1164998117.db2.gz FPWVOSHLPJODSM-SECBINFHSA-N -1 3 292.274 1.713 20 5 CDBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](C)O ZINC001590473501 1173424130 /nfs/dbraw/zinc/42/41/30/1173424130.db2.gz OOVYLXVKAZVXGK-CBAPKCEASA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](C)O ZINC001590473501 1173424134 /nfs/dbraw/zinc/42/41/34/1173424134.db2.gz OOVYLXVKAZVXGK-CBAPKCEASA-N -1 3 292.299 1.346 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1(CCO)CC1 ZINC001593472026 1174081235 /nfs/dbraw/zinc/08/12/35/1174081235.db2.gz XYTNVRBGHFOVED-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1(CCO)CC1 ZINC001593472026 1174081243 /nfs/dbraw/zinc/08/12/43/1174081243.db2.gz XYTNVRBGHFOVED-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM CC(C)(F)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603157852 1175505695 /nfs/dbraw/zinc/50/56/95/1175505695.db2.gz LVQWQMSWRIOFLO-UHFFFAOYSA-N -1 3 281.251 1.330 20 5 CDBDHM CC(C)(F)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603157852 1175505698 /nfs/dbraw/zinc/50/56/98/1175505698.db2.gz LVQWQMSWRIOFLO-UHFFFAOYSA-N -1 3 281.251 1.330 20 5 CDBDHM O=C([N-]N1CCCC1=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000780702405 784625899 /nfs/dbraw/zinc/62/58/99/784625899.db2.gz WEBYOJWNHUZZDH-UHFFFAOYSA-N -1 3 267.216 1.001 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OC1CCOCC1 ZINC000775245739 788171115 /nfs/dbraw/zinc/17/11/15/788171115.db2.gz VGSAYSZHUYTNSP-UHFFFAOYSA-N -1 3 280.280 1.364 20 5 CDBDHM O=C([O-])[C@H](CF)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC001601650728 1167798068 /nfs/dbraw/zinc/79/80/68/1167798068.db2.gz QTKHHJGGTSVODD-GFAPAMAISA-N -1 3 268.244 1.620 20 5 CDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C(C)(C)C ZINC001101598811 936993366 /nfs/dbraw/zinc/99/33/66/936993366.db2.gz JMLOMYAKULESDE-UHFFFAOYSA-N -1 3 296.327 1.612 20 5 CDBDHM COc1nccnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814336 925876907 /nfs/dbraw/zinc/87/69/07/925876907.db2.gz HBRMWOOOTREHQX-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCC1CCC1 ZINC000856349391 928583667 /nfs/dbraw/zinc/58/36/67/928583667.db2.gz MQMPLYUNVQUZKB-UHFFFAOYSA-N -1 3 264.281 1.985 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001156277219 938344550 /nfs/dbraw/zinc/34/45/50/938344550.db2.gz FMOQZIBPZTXQFO-SSDOTTSWSA-N 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CDBDHM COCCO[N-]C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000748770201 574524888 /nfs/dbraw/zinc/52/48/88/574524888.db2.gz RYAVGBABZFOWDW-UHFFFAOYSA-N -1 3 284.268 1.058 20 5 CDBDHM CN(CC1CCC1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736793819 575748041 /nfs/dbraw/zinc/74/80/41/575748041.db2.gz LYVCPMPRALVRQO-UHFFFAOYSA-N -1 3 289.299 1.406 20 5 CDBDHM CN(CC1CCC1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736793819 575748044 /nfs/dbraw/zinc/74/80/44/575748044.db2.gz LYVCPMPRALVRQO-UHFFFAOYSA-N -1 3 289.299 1.406 20 5 CDBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCC1 ZINC000736841227 575763085 /nfs/dbraw/zinc/76/30/85/575763085.db2.gz ATNIHNWCSVKFCU-UHFFFAOYSA-N -1 3 274.284 1.764 20 5 CDBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCC1 ZINC000736841227 575763088 /nfs/dbraw/zinc/76/30/88/575763088.db2.gz ATNIHNWCSVKFCU-UHFFFAOYSA-N -1 3 274.284 1.764 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737499742 575977193 /nfs/dbraw/zinc/97/71/93/575977193.db2.gz 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CDBDHM O=[N+]([O-])c1ccc(SC2COC2)c(-c2nn[n-]n2)c1 ZINC001593479833 1174081633 /nfs/dbraw/zinc/08/16/33/1174081633.db2.gz ZSEDDGWXLYFFJO-UHFFFAOYSA-N -1 3 279.281 1.266 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001593488114 1174083887 /nfs/dbraw/zinc/08/38/87/1174083887.db2.gz YLIXWOUUTKCQTE-UHFFFAOYSA-N -1 3 277.269 1.081 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001593482395 1174085087 /nfs/dbraw/zinc/08/50/87/1174085087.db2.gz RIJOWPLPGNXGHJ-JOYOIKCWSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001593482395 1174085095 /nfs/dbraw/zinc/08/50/95/1174085095.db2.gz RIJOWPLPGNXGHJ-JOYOIKCWSA-N -1 3 286.295 1.985 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001600304689 1174441533 /nfs/dbraw/zinc/44/15/33/1174441533.db2.gz GJPNDYSXJLGPPK-WCQYABFASA-N -1 3 294.307 1.171 20 5 CDBDHM CC(C)CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603288846 1175532069 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COc1ncnc([N-]COc2ccccc2)c1[N+](=O)[O-] ZINC001159702334 938746308 /nfs/dbraw/zinc/74/63/08/938746308.db2.gz OZIWAYUXFBJCSM-UHFFFAOYSA-N -1 3 276.252 1.842 20 5 CDBDHM Cc1ncc(Nc2ccc([N+](=O)[O-])c(C)n2)c(=O)[n-]1 ZINC001162298554 938973842 /nfs/dbraw/zinc/97/38/42/938973842.db2.gz SHADIVLBTNDKIQ-QMMMGPOBSA-N -1 3 261.241 1.108 20 5 CDBDHM O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cccc([N+](=O)[O-])c1 ZINC001204440379 939765394 /nfs/dbraw/zinc/76/53/94/939765394.db2.gz WVMOQDLFJDIJBA-UHFFFAOYSA-N -1 3 277.196 1.938 20 5 CDBDHM CO[C@H](C)COc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744365 942216586 /nfs/dbraw/zinc/21/65/86/942216586.db2.gz GNCXPGDZOXSCJP-SSDOTTSWSA-N -1 3 251.242 1.885 20 5 CDBDHM CO[C@H](C)COc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744365 942216592 /nfs/dbraw/zinc/21/65/92/942216592.db2.gz GNCXPGDZOXSCJP-SSDOTTSWSA-N -1 3 251.242 1.885 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cncnc2)c1[N+](=O)[O-] ZINC001228689070 942358848 /nfs/dbraw/zinc/35/88/48/942358848.db2.gz PKSHORKNVYNSOZ-MRVPVSSYSA-N -1 3 276.252 1.934 20 5 CDBDHM CC[C@@](COC)(NCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000328515012 971487067 /nfs/dbraw/zinc/48/70/67/971487067.db2.gz DGMHVIJGZPDXBI-ZDUSSCGKSA-N -1 3 282.296 1.564 20 5 CDBDHM CCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(=O)[O-] ZINC001589736580 950542801 /nfs/dbraw/zinc/54/28/01/950542801.db2.gz CKRGFFUDLYCTBD-SECBINFHSA-N -1 3 282.296 1.898 20 5 CDBDHM CC(C)CNC(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001328525550 955327451 /nfs/dbraw/zinc/32/74/51/955327451.db2.gz YLNMJYLVYBQWGC-UHFFFAOYSA-N -1 3 296.283 1.687 20 5 CDBDHM CCN(CC(=O)[O-])Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001596226148 983616895 /nfs/dbraw/zinc/61/68/95/983616895.db2.gz ADGXJNGVKAVFBZ-UHFFFAOYSA-N -1 3 284.268 1.216 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000601195147 342488799 /nfs/dbraw/zinc/48/87/99/342488799.db2.gz FIUHKGVZZUSIHH-QMMMGPOBSA-N -1 3 280.259 1.658 20 5 CDBDHM CC[C@H](NC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000595930117 343184355 /nfs/dbraw/zinc/18/43/55/343184355.db2.gz XMLMKYMILGBHAJ-ZETCQYMHSA-N -1 3 287.703 1.890 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000596157965 343254805 /nfs/dbraw/zinc/25/48/05/343254805.db2.gz KXSKHGZMMMVQEG-KYZUINATSA-N -1 3 267.285 1.658 20 5 CDBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596132023 343238638 /nfs/dbraw/zinc/23/86/38/343238638.db2.gz SEOBPFHYKRHTTQ-UHFFFAOYSA-N -1 3 267.285 1.701 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000596135827 343240068 /nfs/dbraw/zinc/24/00/68/343240068.db2.gz BBUKIRKBHNWXOV-RKDXNWHRSA-N -1 3 267.285 1.658 20 5 CDBDHM CO[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596146350 343243580 /nfs/dbraw/zinc/24/35/80/343243580.db2.gz ZMJAMLJWFZSAGR-VIFPVBQESA-N -1 3 255.274 1.778 20 5 CDBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596220431 343270018 /nfs/dbraw/zinc/27/00/18/343270018.db2.gz NQLRLQPTLJCOQH-SECBINFHSA-N -1 3 267.285 1.701 20 5 CDBDHM O=c1[n-]ccc(N2CCC3(CCO3)CC2)c1[N+](=O)[O-] ZINC000596220576 343270586 /nfs/dbraw/zinc/27/05/86/343270586.db2.gz ANWMNBBUYICLPM-UHFFFAOYSA-N -1 3 265.269 1.455 20 5 CDBDHM CC(=O)N1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596226657 343272251 /nfs/dbraw/zinc/27/22/51/343272251.db2.gz WTKZCWCNJQIYEC-JTQLQIEISA-N -1 3 294.311 1.366 20 5 CDBDHM O=c1[n-]ccc(NCCC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000596260029 343277436 /nfs/dbraw/zinc/27/74/36/343277436.db2.gz DFXPGZZUESZDOD-VIFPVBQESA-N -1 3 267.285 1.924 20 5 CDBDHM CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436990841 362247906 /nfs/dbraw/zinc/24/79/06/362247906.db2.gz SQLMVUSKLZNVCU-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598343014 343771168 /nfs/dbraw/zinc/77/11/68/343771168.db2.gz RNSGEBLYEZLPIO-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM O=C([O-])[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000003750248 362256010 /nfs/dbraw/zinc/25/60/10/362256010.db2.gz UOYXJJMDTJLNGQ-LLVKDONJSA-N -1 3 264.281 1.891 20 5 CDBDHM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000119057040 357244533 /nfs/dbraw/zinc/24/45/33/357244533.db2.gz LCEUUSFTFSLKSJ-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM Cc1cc(C(=O)[N-]N2CCCCC2=O)ccc1[N+](=O)[O-] ZINC000120260432 357486005 /nfs/dbraw/zinc/48/60/05/357486005.db2.gz UXOCSDGRTRTYJK-UHFFFAOYSA-N -1 3 277.280 1.561 20 5 CDBDHM CC(C)N(CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000037994847 361390445 /nfs/dbraw/zinc/39/04/45/361390445.db2.gz ACCHAVVETRWNFF-UHFFFAOYSA-N -1 3 252.270 1.890 20 5 CDBDHM Cc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000074791265 365054366 /nfs/dbraw/zinc/05/43/66/365054366.db2.gz LXKHYVZABWCQPR-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM CCN1CCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272555168 367768234 /nfs/dbraw/zinc/76/82/34/367768234.db2.gz HTOMUWDJNQPZEA-NSHDSACASA-N -1 3 293.323 1.515 20 5 CDBDHM COc1cc(CNC(CF)CF)c([N+](=O)[O-])cc1[O-] ZINC000449381446 250828034 /nfs/dbraw/zinc/82/80/34/250828034.db2.gz RYSTYCKNWOQWKQ-UHFFFAOYSA-N -1 3 276.239 1.706 20 5 CDBDHM Cc1nc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000135014615 390429688 /nfs/dbraw/zinc/42/96/88/390429688.db2.gz XWXBEDPCRAFQMY-UHFFFAOYSA-N -1 3 265.204 1.413 20 5 CDBDHM CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000416307384 391984874 /nfs/dbraw/zinc/98/48/74/391984874.db2.gz KNDFIYYPILJZOI-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000595279967 392553445 /nfs/dbraw/zinc/55/34/45/392553445.db2.gz MMBJQZAQBVAAIO-STQMWFEESA-N -1 3 294.307 1.659 20 5 CDBDHM N[C@@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000420219664 392907192 /nfs/dbraw/zinc/90/71/92/392907192.db2.gz ROBTWDYBNKUGGI-NSHDSACASA-N -1 3 289.295 1.216 20 5 CDBDHM O=C(Nc1ccc(O)cc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000180857197 148166108 /nfs/dbraw/zinc/16/61/08/148166108.db2.gz ANGRDBHEOVLYIQ-UHFFFAOYSA-N -1 3 293.210 1.792 20 5 CDBDHM O=C([O-])[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262607777 149082128 /nfs/dbraw/zinc/08/21/28/149082128.db2.gz BEPVRYDMRCYQMA-JTQLQIEISA-N -1 3 280.280 1.380 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C)CC1 ZINC000358876168 158060373 /nfs/dbraw/zinc/06/03/73/158060373.db2.gz CBDKJGRTLUQFQJ-UHFFFAOYSA-N -1 3 284.337 1.982 20 5 CDBDHM COc1cccnc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000573709859 294872757 /nfs/dbraw/zinc/87/27/57/294872757.db2.gz IUSJWNCNCUFDAG-UHFFFAOYSA-N -1 3 290.235 1.351 20 5 CDBDHM C[C@@H](CN(C)C)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000582965971 325079868 /nfs/dbraw/zinc/07/98/68/325079868.db2.gz AXABLXDJTVYAJJ-VIFPVBQESA-N -1 3 281.312 1.584 20 5 CDBDHM Cc1ccc(CN2CCN(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001600413958 1174467714 /nfs/dbraw/zinc/46/77/14/1174467714.db2.gz SDJIXUZEUUXEQF-UHFFFAOYSA-N -1 3 293.323 1.105 20 5 CDBDHM CC(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735735746 575503179 /nfs/dbraw/zinc/50/31/79/575503179.db2.gz UZQWIVYSKXDCBY-NSHDSACASA-N -1 3 292.299 1.204 20 5 CDBDHM CC(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735735746 575503182 /nfs/dbraw/zinc/50/31/82/575503182.db2.gz UZQWIVYSKXDCBY-NSHDSACASA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736276841 575611269 /nfs/dbraw/zinc/61/12/69/575611269.db2.gz RCDCAAYONSMKDE-QMMMGPOBSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736276841 575611273 /nfs/dbraw/zinc/61/12/73/575611273.db2.gz RCDCAAYONSMKDE-QMMMGPOBSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccccc1[N+](=O)[O-] ZINC000910458497 629078296 /nfs/dbraw/zinc/07/82/96/629078296.db2.gz VGGPMEBEMGVARC-NSHDSACASA-N -1 3 293.323 1.580 20 5 CDBDHM C[C@@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170573823 1162974805 /nfs/dbraw/zinc/97/48/05/1162974805.db2.gz KZSSNBKRYXQYNK-PELKAZGASA-N -1 3 295.295 1.082 20 5 CDBDHM CC(COC(=O)c1cccc(CC(=O)[O-])c1)[N+](=O)[O-] ZINC001604203093 1163125168 /nfs/dbraw/zinc/12/51/68/1163125168.db2.gz JKJDCSPYCROIME-QMMMGPOBSA-N -1 3 267.237 1.136 20 5 CDBDHM CN(C)C1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001606016412 1163745638 /nfs/dbraw/zinc/74/56/38/1163745638.db2.gz LNHDSBSWFVZXED-UHFFFAOYSA-N -1 3 299.714 1.697 20 5 CDBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](C)O ZINC001590473502 1173425811 /nfs/dbraw/zinc/42/58/11/1173425811.db2.gz OOVYLXVKAZVXGK-IONNQARKSA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](C)O ZINC001590473502 1173425816 /nfs/dbraw/zinc/42/58/16/1173425816.db2.gz OOVYLXVKAZVXGK-IONNQARKSA-N -1 3 292.299 1.346 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(Oc2cccnc2)c1-c1nnn[n-]1 ZINC001592759021 1173985396 /nfs/dbraw/zinc/98/53/96/1173985396.db2.gz OSEBLRJBJPPRQQ-UHFFFAOYSA-N -1 3 299.250 1.544 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(Oc2cccnc2)c1-c1nn[n-]n1 ZINC001592759021 1173985402 /nfs/dbraw/zinc/98/54/02/1173985402.db2.gz OSEBLRJBJPPRQQ-UHFFFAOYSA-N -1 3 299.250 1.544 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC(C(F)F)C2)ccc1-c1nnn[n-]1 ZINC001593471588 1174080900 /nfs/dbraw/zinc/08/09/00/1174080900.db2.gz OERINTIKZCFOCW-UHFFFAOYSA-N -1 3 296.237 1.476 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCCCCO1 ZINC001593482015 1174083773 /nfs/dbraw/zinc/08/37/73/1174083773.db2.gz VIEFQOXWJBDDQG-UHFFFAOYSA-N -1 3 290.283 1.697 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCCCCO1 ZINC001593482015 1174083778 /nfs/dbraw/zinc/08/37/78/1174083778.db2.gz VIEFQOXWJBDDQG-UHFFFAOYSA-N -1 3 290.283 1.697 20 5 CDBDHM C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001607477081 1164196396 /nfs/dbraw/zinc/19/63/96/1164196396.db2.gz UWNRBJMMUGIASW-ZANVPECISA-N -1 3 279.296 1.532 20 5 CDBDHM CC[C@H]1CCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609200836 1164842682 /nfs/dbraw/zinc/84/26/82/1164842682.db2.gz KUJCIWUMERDDJP-QMMMGPOBSA-N -1 3 274.284 1.764 20 5 CDBDHM CC[C@H]1CCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609200836 1164842688 /nfs/dbraw/zinc/84/26/88/1164842688.db2.gz KUJCIWUMERDDJP-QMMMGPOBSA-N -1 3 274.284 1.764 20 5 CDBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cnn[n-]1 ZINC000805603127 797809719 /nfs/dbraw/zinc/80/97/19/797809719.db2.gz IEFGWCCSSVLLIA-UHFFFAOYSA-N -1 3 266.188 1.209 20 5 CDBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1c[n-]nn1 ZINC000805603127 797809720 /nfs/dbraw/zinc/80/97/20/797809720.db2.gz IEFGWCCSSVLLIA-UHFFFAOYSA-N -1 3 266.188 1.209 20 5 CDBDHM Cc1ncc(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001173226945 912319490 /nfs/dbraw/zinc/31/94/90/912319490.db2.gz DUTWHQSMBDPQKG-ZANVPECISA-N -1 3 288.307 1.513 20 5 CDBDHM COC(=O)C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000815090628 929930628 /nfs/dbraw/zinc/93/06/28/929930628.db2.gz WPLJPAHZROACFP-LBPRGKRZSA-N -1 3 294.307 1.732 20 5 CDBDHM O=C(Oc1cccc2c1OCCO2)c1cc([N+](=O)[O-])n[n-]1 ZINC000803108123 936090818 /nfs/dbraw/zinc/09/08/18/936090818.db2.gz MZZYNHOYKCUAEQ-UHFFFAOYSA-N -1 3 291.219 1.308 20 5 CDBDHM Cc1ncc(Nc2ccc3ccc([N+](=O)[O-])cc3n2)c(=O)[n-]1 ZINC001162298803 938974045 /nfs/dbraw/zinc/97/40/45/938974045.db2.gz WNFZDHKCSQZDEJ-GFCCVEGCSA-N -1 3 297.274 1.953 20 5 CDBDHM Cc1ncc(Nc2nccc3cc([N+](=O)[O-])ccc32)c(=O)[n-]1 ZINC001162305603 938977007 /nfs/dbraw/zinc/97/70/07/938977007.db2.gz JJRYYFYXCPYORH-GFCCVEGCSA-N -1 3 297.274 1.953 20 5 CDBDHM Cc1cc2nc(O[C@H]3CCOC3=O)[n-]c2cc1[N+](=O)[O-] ZINC001228674238 942354219 /nfs/dbraw/zinc/35/42/19/942354219.db2.gz JOLVUSLYXYPTGQ-JTQLQIEISA-N -1 3 277.236 1.474 20 5 CDBDHM Cc1cc2[n-]c(O[C@H]3CCOC3=O)nc2cc1[N+](=O)[O-] ZINC001228674238 942354225 /nfs/dbraw/zinc/35/42/25/942354225.db2.gz JOLVUSLYXYPTGQ-JTQLQIEISA-N -1 3 277.236 1.474 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ncccn2)c1[N+](=O)[O-] ZINC001228687031 942358062 /nfs/dbraw/zinc/35/80/62/942358062.db2.gz TXLIJSMFKZQIFE-QMMMGPOBSA-N -1 3 276.252 1.934 20 5 CDBDHM CO[C@@H]1CCN(CCOc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396015 942462998 /nfs/dbraw/zinc/46/29/98/942462998.db2.gz PCFQNNPGAGWATC-LLVKDONJSA-N -1 3 282.296 1.400 20 5 CDBDHM CCc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1[O-] ZINC001304254072 956185668 /nfs/dbraw/zinc/18/56/68/956185668.db2.gz KSPJNMDPVKRDMK-UHFFFAOYSA-N -1 3 276.252 1.838 20 5 CDBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCCC1 ZINC001323064681 960428054 /nfs/dbraw/zinc/42/80/54/960428054.db2.gz UDXUSBNSFBUUBA-UHFFFAOYSA-N -1 3 294.267 1.537 20 5 CDBDHM C[C@H]1[C@H](CO)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594187514 998725913 /nfs/dbraw/zinc/72/59/13/998725913.db2.gz GYPYWHJZQSBSKI-ONGXEEELSA-N -1 3 294.307 1.496 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1SC1COC1 ZINC001593483268 1174083263 /nfs/dbraw/zinc/08/32/63/1174083263.db2.gz NCRTWZRKSNLRSI-UHFFFAOYSA-N -1 3 279.281 1.266 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1SC1COC1 ZINC001593483268 1174083269 /nfs/dbraw/zinc/08/32/69/1174083269.db2.gz NCRTWZRKSNLRSI-UHFFFAOYSA-N -1 3 279.281 1.266 20 5 CDBDHM C[C@@H](CN1CCCC1=O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596085953 343220000 /nfs/dbraw/zinc/22/00/00/343220000.db2.gz QGZVPDAEHCPMOS-QMMMGPOBSA-N -1 3 280.284 1.118 20 5 CDBDHM C[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182776 343250805 /nfs/dbraw/zinc/25/08/05/343250805.db2.gz SGTLCHUEVSLHML-HTQZYQBOSA-N -1 3 253.258 1.675 20 5 CDBDHM O=c1[n-]ccc(Nc2cc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000596233101 343261920 /nfs/dbraw/zinc/26/19/20/343261920.db2.gz XHZIWAZDOVSTQO-UHFFFAOYSA-N -1 3 275.268 1.394 20 5 CDBDHM COc1cc(CNCc2cncn2C)c([N+](=O)[O-])cc1[O-] ZINC000289922315 342402896 /nfs/dbraw/zinc/40/28/96/342402896.db2.gz SKQLBLOQVQVBGA-UHFFFAOYSA-N -1 3 292.295 1.332 20 5 CDBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c([O-])cccc1O ZINC000092117575 342411089 /nfs/dbraw/zinc/41/10/89/342411089.db2.gz XJXJYKSBVPXQNC-UHFFFAOYSA-N -1 3 288.259 1.936 20 5 CDBDHM Cc1nc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)nn1C ZINC000344524577 362922396 /nfs/dbraw/zinc/92/23/96/362922396.db2.gz BBJBLDAIOGUWEJ-UHFFFAOYSA-N -1 3 295.686 1.937 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@]2(CCOC2)C1 ZINC000093819938 351349556 /nfs/dbraw/zinc/34/95/56/351349556.db2.gz GXRRDMPBVZHTJW-AWEZNQCLSA-N -1 3 278.308 1.913 20 5 CDBDHM O=C([O-])[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000164655889 363334461 /nfs/dbraw/zinc/33/44/61/363334461.db2.gz GXQNSONLASTJIO-LLVKDONJSA-N -1 3 294.307 1.770 20 5 CDBDHM Cc1c(NC(=O)[N-]OC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000189448162 358012524 /nfs/dbraw/zinc/01/25/24/358012524.db2.gz YBCAZPHDWVGDTH-JTQLQIEISA-N -1 3 295.295 1.993 20 5 CDBDHM C[C@]1(C(=O)[O-])CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062936170 358729617 /nfs/dbraw/zinc/72/96/17/358729617.db2.gz WVACMFUPPVYDOZ-ZDUSSCGKSA-N -1 3 264.281 1.891 20 5 CDBDHM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000160240672 360777120 /nfs/dbraw/zinc/77/71/20/360777120.db2.gz OHZQDEJJRCAOSQ-SECBINFHSA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000541004991 364766931 /nfs/dbraw/zinc/76/69/31/364766931.db2.gz YGIZUECHKKPUAM-SNVBAGLBSA-N -1 3 291.311 1.531 20 5 CDBDHM CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179487955 372284311 /nfs/dbraw/zinc/28/43/11/372284311.db2.gz LIRWGTPSPLNAIW-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM O=[N+]([O-])c1cnc(Sc2nnc(CO)[n-]2)c(Cl)c1 ZINC000530352668 374480185 /nfs/dbraw/zinc/48/01/85/374480185.db2.gz IXHHHUNGLBTHEK-UHFFFAOYSA-N -1 3 287.688 1.405 20 5 CDBDHM O=[N+]([O-])c1cnc(Sc2n[n-]c(CO)n2)c(Cl)c1 ZINC000530352668 374480189 /nfs/dbraw/zinc/48/01/89/374480189.db2.gz IXHHHUNGLBTHEK-UHFFFAOYSA-N -1 3 287.688 1.405 20 5 CDBDHM COc1ccc(C[N-]C(=O)C(F)F)cc1[N+](=O)[O-] ZINC000278384246 374840122 /nfs/dbraw/zinc/84/01/22/374840122.db2.gz DBSTUENEKSYEHU-UHFFFAOYSA-N -1 3 260.196 1.485 20 5 CDBDHM Cn1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000352862563 375546495 /nfs/dbraw/zinc/54/64/95/375546495.db2.gz OSHXKVXFKXJBJX-UHFFFAOYSA-N -1 3 295.320 1.412 20 5 CDBDHM CCOC([O-])=NOCCOc1ccc([N+](=O)[O-])cc1 ZINC000496327451 375737304 /nfs/dbraw/zinc/73/73/04/375737304.db2.gz QKWHHFXJKDRTSS-UHFFFAOYSA-N -1 3 270.241 1.651 20 5 CDBDHM CCOC(=O)[N-]OCCOc1ccc([N+](=O)[O-])cc1 ZINC000496327451 375737308 /nfs/dbraw/zinc/73/73/08/375737308.db2.gz QKWHHFXJKDRTSS-UHFFFAOYSA-N -1 3 270.241 1.651 20 5 CDBDHM CN(C)C(=O)Cn1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000443516824 250036743 /nfs/dbraw/zinc/03/67/43/250036743.db2.gz NZEOCLAUFFTMIG-UHFFFAOYSA-N -1 3 296.312 1.080 20 5 CDBDHM CN(CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000517377149 391102997 /nfs/dbraw/zinc/10/29/97/391102997.db2.gz JHUILEYIMVMBRL-UHFFFAOYSA-N -1 3 293.323 1.728 20 5 CDBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OC[C@H]1CCOC1 ZINC000191793348 130302962 /nfs/dbraw/zinc/30/29/62/130302962.db2.gz CVLSLQHJNDARMK-LBPRGKRZSA-N -1 3 294.307 1.612 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000194899730 393004729 /nfs/dbraw/zinc/00/47/29/393004729.db2.gz NGDVCATZARVZCR-UHFFFAOYSA-N -1 3 291.267 1.836 20 5 CDBDHM O=C(Cn1nccc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000180698183 140018182 /nfs/dbraw/zinc/01/81/82/140018182.db2.gz ACYASXOWXOUKQD-UHFFFAOYSA-N -1 3 262.225 1.136 20 5 CDBDHM Cc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)s1 ZINC000218025447 140165329 /nfs/dbraw/zinc/16/53/29/140165329.db2.gz MAGBZEPIUXINMS-UHFFFAOYSA-N -1 3 297.271 1.728 20 5 CDBDHM O=C([O-])[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000262607779 149082257 /nfs/dbraw/zinc/08/22/57/149082257.db2.gz BEPVRYDMRCYQMA-SNVBAGLBSA-N -1 3 280.280 1.380 20 5 CDBDHM Cc1ccc(CN[C@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC000284320840 196029479 /nfs/dbraw/zinc/02/94/79/196029479.db2.gz TVNRTMFBRXUAHY-CYBMUJFWSA-N -1 3 296.348 1.953 20 5 CDBDHM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000285188160 196216713 /nfs/dbraw/zinc/21/67/13/196216713.db2.gz TVIOVTXMNVZKOY-UHFFFAOYSA-N -1 3 296.312 1.620 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CCC1 ZINC000046036339 175390472 /nfs/dbraw/zinc/39/04/72/175390472.db2.gz PVNHRIZDEIPLCK-UHFFFAOYSA-N -1 3 284.337 1.982 20 5 CDBDHM CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC000281825423 289098500 /nfs/dbraw/zinc/09/85/00/289098500.db2.gz VZVHAUDYJGWADQ-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM CNc1nccc(C(=O)Nc2ccccc2[O-])c1[N+](=O)[O-] ZINC000553226738 290105113 /nfs/dbraw/zinc/10/51/13/290105113.db2.gz ACTPGCBNQFXHHT-UHFFFAOYSA-N -1 3 288.263 1.411 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000562400060 293151702 /nfs/dbraw/zinc/15/17/02/293151702.db2.gz XWGMGXHQOURWRI-UHFFFAOYSA-N -1 3 262.225 1.584 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000296741754 527211442 /nfs/dbraw/zinc/21/14/42/527211442.db2.gz ATNMKSOCHWQGJT-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM C[C@H](CO)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736037880 575553296 /nfs/dbraw/zinc/55/32/96/575553296.db2.gz PWVPAWWUKDUKIX-SSDOTTSWSA-N -1 3 295.324 1.495 20 5 CDBDHM C[C@H](CO)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736037880 575553298 /nfs/dbraw/zinc/55/32/98/575553298.db2.gz PWVPAWWUKDUKIX-SSDOTTSWSA-N -1 3 295.324 1.495 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)C(=O)[O-] ZINC000738310751 576058056 /nfs/dbraw/zinc/05/80/56/576058056.db2.gz PUWXMLJBEDDLSS-UHFFFAOYSA-N -1 3 295.295 1.295 20 5 CDBDHM Cc1nn(CCC(=O)[N-]OCC(F)F)c(C)c1[N+](=O)[O-] ZINC000759340432 577171102 /nfs/dbraw/zinc/17/11/02/577171102.db2.gz XQXAUTBVVHUJFX-UHFFFAOYSA-N -1 3 292.242 1.111 20 5 CDBDHM O=[N+]([O-])c1cnn(-c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000823651764 606175006 /nfs/dbraw/zinc/17/50/06/606175006.db2.gz PFIWOHAPXQVFDX-UHFFFAOYSA-N -1 3 275.203 1.100 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@H]2[C@@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607087000 1164072959 /nfs/dbraw/zinc/07/29/59/1164072959.db2.gz XDAPTEQBXGYJCM-MBTKJCJQSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@H]2[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607087000 1164072965 /nfs/dbraw/zinc/07/29/65/1164072965.db2.gz XDAPTEQBXGYJCM-MBTKJCJQSA-N -1 3 287.283 1.380 20 5 CDBDHM CCCN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001590620030 1173476870 /nfs/dbraw/zinc/47/68/70/1173476870.db2.gz OQAVLEDKGOURIA-UHFFFAOYSA-N -1 3 277.288 1.203 20 5 CDBDHM CCCN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001590620030 1173476877 /nfs/dbraw/zinc/47/68/77/1173476877.db2.gz OQAVLEDKGOURIA-UHFFFAOYSA-N -1 3 277.288 1.203 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591473745 1173658140 /nfs/dbraw/zinc/65/81/40/1173658140.db2.gz RZDZRPAFCAKFNQ-PWSUYJOCSA-N -1 3 290.283 1.364 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591473745 1173658143 /nfs/dbraw/zinc/65/81/43/1173658143.db2.gz RZDZRPAFCAKFNQ-PWSUYJOCSA-N -1 3 290.283 1.364 20 5 CDBDHM Cc1cn(Cc2ccc(-c3nnn[n-]3)cc2)nc1[N+](=O)[O-] ZINC001592287504 1173846209 /nfs/dbraw/zinc/84/62/09/1173846209.db2.gz PPXOMMONIINMDF-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cn(Cc2ccc(-c3nn[n-]n3)cc2)nc1[N+](=O)[O-] ZINC001592287504 1173846213 /nfs/dbraw/zinc/84/62/13/1173846213.db2.gz PPXOMMONIINMDF-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2C2CC2)c(-c2nnn[n-]2)c1 ZINC001593487770 1174085832 /nfs/dbraw/zinc/08/58/32/1174085832.db2.gz QIDIZTFBMSBCNO-WCBMZHEXSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2C2CC2)c(-c2nn[n-]n2)c1 ZINC001593487770 1174085841 /nfs/dbraw/zinc/08/58/41/1174085841.db2.gz QIDIZTFBMSBCNO-WCBMZHEXSA-N -1 3 287.283 1.380 20 5 CDBDHM C[C@H](CCO)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603495710 1175559065 /nfs/dbraw/zinc/55/90/65/1175559065.db2.gz VLCRHYBTQPGRAF-MRVPVSSYSA-N -1 3 292.299 1.205 20 5 CDBDHM C[C@H](CCO)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603495710 1175559073 /nfs/dbraw/zinc/55/90/73/1175559073.db2.gz VLCRHYBTQPGRAF-MRVPVSSYSA-N -1 3 292.299 1.205 20 5 CDBDHM C[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609111039 1164777533 /nfs/dbraw/zinc/77/75/33/1164777533.db2.gz FKXFPVXHUPYKPJ-QMMMGPOBSA-N -1 3 292.299 1.205 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CNC1CC(CC(=O)[O-])C1 ZINC001610347623 1165292964 /nfs/dbraw/zinc/29/29/64/1165292964.db2.gz GWGXEBMTPGSNOG-UHFFFAOYSA-N -1 3 294.307 1.946 20 5 CDBDHM COC(=O)c1cnc(SCc2onc(C)c2[N+](=O)[O-])[n-]1 ZINC000853020177 811281105 /nfs/dbraw/zinc/28/11/05/811281105.db2.gz YXLMFOQDKRXQLA-UHFFFAOYSA-N -1 3 298.280 1.693 20 5 CDBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000010490757 811690791 /nfs/dbraw/zinc/69/07/91/811690791.db2.gz ZQNVLJBNFODBBJ-UHFFFAOYSA-N -1 3 297.292 1.702 20 5 CDBDHM O=C([O-])[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000874054017 816739391 /nfs/dbraw/zinc/73/93/91/816739391.db2.gz UGGHDOOFBNLMPD-ZKCHVHJHSA-N -1 3 256.283 1.609 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OC1CCC1 ZINC000812787401 817257583 /nfs/dbraw/zinc/25/75/83/817257583.db2.gz QOYHDBUJCDEVLH-UHFFFAOYSA-N -1 3 250.254 1.738 20 5 CDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccoc1 ZINC001093510263 909881872 /nfs/dbraw/zinc/88/18/72/909881872.db2.gz SLAIBOLNWPLCIH-UHFFFAOYSA-N -1 3 292.251 1.130 20 5 CDBDHM Cc1nc(Cl)c([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162298991 922209758 /nfs/dbraw/zinc/20/97/58/922209758.db2.gz YWKHPTCCNTXLKC-LURJTMIESA-N -1 3 296.674 1.157 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OC1CCC1 ZINC000836798392 936798650 /nfs/dbraw/zinc/79/86/50/936798650.db2.gz OXRWMBBVPRRCIB-UHFFFAOYSA-N -1 3 250.254 1.738 20 5 CDBDHM CN(CCNC(=O)CC1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099895240 932788088 /nfs/dbraw/zinc/78/80/88/932788088.db2.gz JIPLMFMDPURKSH-UHFFFAOYSA-N -1 3 294.311 1.048 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@H]2CCO2)c2[n-]cnc21 ZINC001227693081 942204981 /nfs/dbraw/zinc/20/49/81/942204981.db2.gz KHNZSCNQXZQHPA-ZCFIWIBFSA-N -1 3 250.214 1.034 20 5 CDBDHM COC(C[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21)OC ZINC001227691134 942205100 /nfs/dbraw/zinc/20/51/00/942205100.db2.gz MUHKYIQTFNSNJC-ZETCQYMHSA-N -1 3 296.283 1.642 20 5 CDBDHM C[C@H]1COCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694788 942206894 /nfs/dbraw/zinc/20/68/94/942206894.db2.gz JEQHAXSHKPMHJN-CBAPKCEASA-N -1 3 278.268 1.670 20 5 CDBDHM CC1=C(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001228686857 942357266 /nfs/dbraw/zinc/35/72/66/942357266.db2.gz ROBUXNLVZZGRPP-SSDOTTSWSA-N -1 3 280.236 1.602 20 5 CDBDHM Cc1[n-]c(=O)cc(OC(=O)CCC[C@@H](C)O)c1[N+](=O)[O-] ZINC001228689505 942359514 /nfs/dbraw/zinc/35/95/14/942359514.db2.gz TYLPZINOWGLISG-SSDOTTSWSA-N -1 3 284.268 1.460 20 5 CDBDHM C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)C(=O)[O-] ZINC001327323885 954827278 /nfs/dbraw/zinc/82/72/78/954827278.db2.gz SUULZKPLLQCUNO-YUMQZZPRSA-N -1 3 293.279 1.935 20 5 CDBDHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595005883 982921625 /nfs/dbraw/zinc/92/16/25/982921625.db2.gz RQXJSEYEIXBVKY-HQJQHLMTSA-N -1 3 295.295 1.605 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cocn1 ZINC000609353587 342103864 /nfs/dbraw/zinc/10/38/64/342103864.db2.gz WLOMWCJYAKVCGB-UHFFFAOYSA-N -1 3 283.265 1.061 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H](C)C(=O)[O-] ZINC000593730604 342830252 /nfs/dbraw/zinc/83/02/52/342830252.db2.gz OXYZOVCIOOYHPF-IUCAKERBSA-N -1 3 282.296 1.802 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)nc1 ZINC000594806166 342959520 /nfs/dbraw/zinc/95/95/20/342959520.db2.gz XZTYGYGHCZROQA-KWQFWETISA-N -1 3 283.309 1.211 20 5 CDBDHM C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000596116163 343231752 /nfs/dbraw/zinc/23/17/52/343231752.db2.gz ZALWARPBSCTKLB-UWVGGRQHSA-N -1 3 296.327 1.217 20 5 CDBDHM CCO[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596086784 343233101 /nfs/dbraw/zinc/23/31/01/343233101.db2.gz BCJHIHUTORYGIG-SECBINFHSA-N -1 3 267.285 1.701 20 5 CDBDHM O=c1[n-]ccc(NCCCOC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000596135227 343239744 /nfs/dbraw/zinc/23/97/44/343239744.db2.gz FVHCNWJDFRTFOI-SNVBAGLBSA-N -1 3 297.311 1.551 20 5 CDBDHM Cc1nccnc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596242871 343285470 /nfs/dbraw/zinc/28/54/70/343285470.db2.gz 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358543356 /nfs/dbraw/zinc/54/33/56/358543356.db2.gz DTBPLSUCVIISOQ-UHFFFAOYSA-N -1 3 299.283 1.693 20 5 CDBDHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121417397 364775826 /nfs/dbraw/zinc/77/58/26/364775826.db2.gz YHZAXPYTJNUJBR-IUCAKERBSA-N -1 3 286.309 1.051 20 5 CDBDHM COCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122678431 367675464 /nfs/dbraw/zinc/67/54/64/367675464.db2.gz TZKYLOKBNUQOSC-UHFFFAOYSA-N -1 3 294.354 1.280 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000124335040 374778112 /nfs/dbraw/zinc/77/81/12/374778112.db2.gz RPYGPTOADRAWMS-UHFFFAOYSA-N -1 3 294.354 1.014 20 5 CDBDHM C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C ZINC000334086408 375111297 /nfs/dbraw/zinc/11/12/97/375111297.db2.gz DSMAMDCLCJKOFV-ONGXEEELSA-N -1 3 293.323 1.513 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CC[C@@H](F)C1 ZINC000344889348 375649630 /nfs/dbraw/zinc/64/96/30/375649630.db2.gz CNJDGWSOIZOGJZ-BDAKNGLRSA-N -1 3 288.300 1.764 20 5 CDBDHM CCc1ncsc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444958886 250200598 /nfs/dbraw/zinc/20/05/98/250200598.db2.gz JYOWZPJRGXKHJG-UHFFFAOYSA-N -1 3 294.292 1.967 20 5 CDBDHM CC(C)Oc1cc(C(=O)[N-]c2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000411359593 390966449 /nfs/dbraw/zinc/96/64/49/390966449.db2.gz DVSNMZAENRMXAB-UHFFFAOYSA-N -1 3 291.267 1.752 20 5 CDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H](C)CN1C ZINC000519782307 391220427 /nfs/dbraw/zinc/22/04/27/391220427.db2.gz ZTKNSYJKTQVXBW-NXEZZACHSA-N -1 3 293.323 1.822 20 5 CDBDHM COc1cc(CNCc2cc(C)on2)c([N+](=O)[O-])cc1[O-] ZINC000520215909 391251674 /nfs/dbraw/zinc/25/16/74/391251674.db2.gz BJEVXADKIJMJPU-UHFFFAOYSA-N -1 3 293.279 1.895 20 5 CDBDHM CCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H](C)C1 ZINC000574329057 391735665 /nfs/dbraw/zinc/73/56/65/391735665.db2.gz XWMGFGLCGCHLPD-SNVBAGLBSA-N -1 3 293.323 1.823 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000596092339 392622711 /nfs/dbraw/zinc/62/27/11/392622711.db2.gz UDEMPQRSTKTXRH-MRVPVSSYSA-N -1 3 253.258 1.676 20 5 CDBDHM CCCN(C)S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000355891640 157275672 /nfs/dbraw/zinc/27/56/72/157275672.db2.gz YHEQMQPEUUSCLO-UHFFFAOYSA-N -1 3 291.304 1.732 20 5 CDBDHM CC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001590133562 1173267585 /nfs/dbraw/zinc/26/75/85/1173267585.db2.gz DFSZRBZFGCEPJR-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000532042794 281893669 /nfs/dbraw/zinc/89/36/69/281893669.db2.gz YROGQWIAPPWPRA-JTQLQIEISA-N -1 3 276.296 1.827 20 5 CDBDHM Cc1cnc(OCc2cc(=O)c([O-])co2)c([N+](=O)[O-])c1 ZINC000157939810 289298078 /nfs/dbraw/zinc/29/80/78/289298078.db2.gz RQDRCVHXQPARBV-UHFFFAOYSA-N -1 3 278.220 1.536 20 5 CDBDHM COc1cc(CN(C)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574996147 295086935 /nfs/dbraw/zinc/08/69/35/295086935.db2.gz WRNNGDNIWLQGSM-QMMMGPOBSA-N -1 3 268.269 1.508 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000266291260 304810454 /nfs/dbraw/zinc/81/04/54/304810454.db2.gz LTBLUBJIAGIXPO-QMMMGPOBSA-N -1 3 288.350 1.379 20 5 CDBDHM CCc1[nH]nc(C(=O)[N-]c2ncc(OC)s2)c1[N+](=O)[O-] ZINC000583640170 325214163 /nfs/dbraw/zinc/21/41/63/325214163.db2.gz DAHSRNPAMIUWHF-UHFFFAOYSA-N -1 3 297.296 1.598 20 5 CDBDHM Cc1cc(Sc2n[n-]c(CO)n2)c(F)cc1[N+](=O)[O-] ZINC000583846032 325250767 /nfs/dbraw/zinc/25/07/67/325250767.db2.gz PTSOURNGSGUYOT-UHFFFAOYSA-N -1 3 284.272 1.804 20 5 CDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000049358337 525510915 /nfs/dbraw/zinc/51/09/15/525510915.db2.gz QCGNURXMZQYSEQ-QMMMGPOBSA-N -1 3 270.310 1.672 20 5 CDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1[O-] ZINC000750160613 576979599 /nfs/dbraw/zinc/97/95/99/576979599.db2.gz XZYGQKKXFQDZRR-UHFFFAOYSA-N -1 3 295.226 1.493 20 5 CDBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1ccon1 ZINC000759050170 577150188 /nfs/dbraw/zinc/15/01/88/577150188.db2.gz OLPMHHZYLLRXPT-UHFFFAOYSA-N -1 3 297.292 1.202 20 5 CDBDHM C[C@@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825019815 608148226 /nfs/dbraw/zinc/14/82/26/608148226.db2.gz HDEUQRMTUBQPFT-IONNQARKSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825019815 608148229 /nfs/dbraw/zinc/14/82/29/608148229.db2.gz HDEUQRMTUBQPFT-IONNQARKSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826500670 608670134 /nfs/dbraw/zinc/67/01/34/608670134.db2.gz HOUNLSGGBSZHQK-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826500670 608670135 /nfs/dbraw/zinc/67/01/35/608670135.db2.gz HOUNLSGGBSZHQK-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM CC(C)(C)CC(=O)[N-]OCc1cccnc1[N+](=O)[O-] ZINC000902421442 624789122 /nfs/dbraw/zinc/78/91/22/624789122.db2.gz VQNPUWAJVLYUBX-UHFFFAOYSA-N -1 3 267.285 1.974 20 5 CDBDHM CCN(CC)C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804376387 1162473247 /nfs/dbraw/zinc/47/32/47/1162473247.db2.gz BLJOYBRYYUGICC-UHFFFAOYSA-N -1 3 296.283 1.783 20 5 CDBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1Cn1nccc1[N+](=O)[O-] ZINC001605525244 1163595976 /nfs/dbraw/zinc/59/59/76/1163595976.db2.gz GAZLLOAZTSYVCU-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1Cn1nccc1[N+](=O)[O-] ZINC001605525244 1163595983 /nfs/dbraw/zinc/59/59/83/1163595983.db2.gz GAZLLOAZTSYVCU-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM COC[C@](C)(NCc1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-] ZINC001610243574 1165269902 /nfs/dbraw/zinc/26/99/02/1165269902.db2.gz HZCMAOKZIVHVCQ-ZDUSSCGKSA-N -1 3 298.295 1.183 20 5 CDBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC001589880710 1173195853 /nfs/dbraw/zinc/19/58/53/1173195853.db2.gz ICPMRCYJLCMVKZ-SSDOTTSWSA-N -1 3 289.299 1.628 20 5 CDBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC001589880710 1173195857 /nfs/dbraw/zinc/19/58/57/1173195857.db2.gz ICPMRCYJLCMVKZ-SSDOTTSWSA-N -1 3 289.299 1.628 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC(F)(F)C1 ZINC001593480302 1174085573 /nfs/dbraw/zinc/08/55/73/1174085573.db2.gz IVOWTWGFQKHTGS-UHFFFAOYSA-N -1 3 282.210 1.230 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC(F)(F)C1 ZINC001593480302 1174085579 /nfs/dbraw/zinc/08/55/79/1174085579.db2.gz IVOWTWGFQKHTGS-UHFFFAOYSA-N -1 3 282.210 1.230 20 5 CDBDHM C[C@H]1CCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603909481 1175680859 /nfs/dbraw/zinc/68/08/59/1175680859.db2.gz GLZBMMWXGHJBOY-ZETCQYMHSA-N -1 3 260.257 1.374 20 5 CDBDHM C[C@H]1CCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603909481 1175680868 /nfs/dbraw/zinc/68/08/68/1175680868.db2.gz GLZBMMWXGHJBOY-ZETCQYMHSA-N -1 3 260.257 1.374 20 5 CDBDHM C[C@@H]1CCN1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603909478 1175681348 /nfs/dbraw/zinc/68/13/48/1175681348.db2.gz GLZBMMWXGHJBOY-SSDOTTSWSA-N -1 3 260.257 1.374 20 5 CDBDHM C[C@@H]1CCN1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603909478 1175681353 /nfs/dbraw/zinc/68/13/53/1175681353.db2.gz GLZBMMWXGHJBOY-SSDOTTSWSA-N -1 3 260.257 1.374 20 5 CDBDHM C[C@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603950147 1175695354 /nfs/dbraw/zinc/69/53/54/1175695354.db2.gz ZUUYSUVTMSXQIN-CPCISQLKSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603950147 1175695358 /nfs/dbraw/zinc/69/53/58/1175695358.db2.gz ZUUYSUVTMSXQIN-CPCISQLKSA-N -1 3 290.283 1.222 20 5 CDBDHM Cc1c(CC(=O)[N-]O[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000836895339 818356931 /nfs/dbraw/zinc/35/69/31/818356931.db2.gz WNBOVXVVXRDHCT-CYBMUJFWSA-N -1 3 296.323 1.510 20 5 CDBDHM CCOC(=O)c1ncc(NC(=O)CCC(C)(C)[N+](=O)[O-])[n-]1 ZINC000830351982 820894329 /nfs/dbraw/zinc/89/43/29/820894329.db2.gz FVYRKZRMGBFIFR-UHFFFAOYSA-N -1 3 298.299 1.360 20 5 CDBDHM CCOC(=O)c1nc(NC(=O)CCC(C)(C)[N+](=O)[O-])c[n-]1 ZINC000830351982 820894332 /nfs/dbraw/zinc/89/43/32/820894332.db2.gz FVYRKZRMGBFIFR-UHFFFAOYSA-N -1 3 298.299 1.360 20 5 CDBDHM C[C@H](C[C@H](C)O)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824698500 821009162 /nfs/dbraw/zinc/00/91/62/821009162.db2.gz LPFBKGAJBWIVRI-SFYZADRCSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](C[C@H](C)O)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824698500 821009171 /nfs/dbraw/zinc/00/91/71/821009171.db2.gz LPFBKGAJBWIVRI-SFYZADRCSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1cc2[n-]c(O[C@H]3C[C@H](O)C3)nc2cc1[N+](=O)[O-] ZINC001218361926 898694538 /nfs/dbraw/zinc/69/45/38/898694538.db2.gz NONDPLXCEZOYFT-ZKCHVHJHSA-N -1 3 263.253 1.682 20 5 CDBDHM C[C@H]1COCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664987 903638270 /nfs/dbraw/zinc/63/82/70/903638270.db2.gz VZCGXLARRWYUOO-IONNQARKSA-N -1 3 254.242 1.499 20 5 CDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)C1CCC1 ZINC001101498508 936978453 /nfs/dbraw/zinc/97/84/53/936978453.db2.gz YTFRKSPJEXTBQI-UHFFFAOYSA-N -1 3 294.311 1.366 20 5 CDBDHM COc1ncc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199815296 925876024 /nfs/dbraw/zinc/87/60/24/925876024.db2.gz ZEHGZVMLFBPTKR-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM Cc1ncc(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)c(=O)[n-]1 ZINC001162299781 938974218 /nfs/dbraw/zinc/97/42/18/938974218.db2.gz CYJSJMXOEVALJX-MRVPVSSYSA-N -1 3 286.251 1.281 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@H]2CCC=CO2)c2[n-]cnc21 ZINC001227693564 942205005 /nfs/dbraw/zinc/20/50/05/942205005.db2.gz WASXTZMTUDDHND-MRVPVSSYSA-N -1 3 276.252 1.938 20 5 CDBDHM CC[C@H](COC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690169 942205952 /nfs/dbraw/zinc/20/59/52/942205952.db2.gz GXYUNWMPSIURBM-SSDOTTSWSA-N -1 3 266.257 1.670 20 5 CDBDHM CCOC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686482 942357518 /nfs/dbraw/zinc/35/75/18/942357518.db2.gz NAPFSDQMAOTNCW-ZETCQYMHSA-N -1 3 256.258 1.808 20 5 CDBDHM O=c1nc(O[C@H](C[N+](=O)[O-])C2CC2)c2c([n-]1)CCS2 ZINC001230791890 942698050 /nfs/dbraw/zinc/69/80/50/942698050.db2.gz ISKIHTLQBNKVHX-MRVPVSSYSA-N -1 3 283.309 1.265 20 5 CDBDHM CCCc1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC001254000410 952170605 /nfs/dbraw/zinc/17/06/05/952170605.db2.gz LOLRQTINZJJMDZ-UHFFFAOYSA-N -1 3 250.214 1.698 20 5 CDBDHM C[S@](=O)[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001307225690 956381155 /nfs/dbraw/zinc/38/11/55/956381155.db2.gz IXKLFVUAWQEJSI-AQRPAEKGSA-N -1 3 285.325 1.407 20 5 CDBDHM COC[C@](C)(NCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000053197703 957518628 /nfs/dbraw/zinc/51/86/28/957518628.db2.gz QZTYINVYYOTERQ-LBPRGKRZSA-N -1 3 268.269 1.174 20 5 CDBDHM C[C@H](CN(C)c1c(F)cccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000342845077 361770378 /nfs/dbraw/zinc/77/03/78/361770378.db2.gz XYYLWTWZIJYNBF-SSDOTTSWSA-N -1 3 280.263 1.487 20 5 CDBDHM C[C@H](CN(C)c1c(F)cccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000342845077 361770382 /nfs/dbraw/zinc/77/03/82/361770382.db2.gz XYYLWTWZIJYNBF-SSDOTTSWSA-N -1 3 280.263 1.487 20 5 CDBDHM C[C@H](CNCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000594540808 342915533 /nfs/dbraw/zinc/91/55/33/342915533.db2.gz HQOZWEOOLAXNQZ-SSDOTTSWSA-N -1 3 256.233 1.544 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000596156748 343247629 /nfs/dbraw/zinc/24/76/29/343247629.db2.gz RZZPGDOODUSKLJ-LLVKDONJSA-N -1 3 291.263 1.866 20 5 CDBDHM CO[C@H]1CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596184908 343251487 /nfs/dbraw/zinc/25/14/87/343251487.db2.gz JXTAPWTZMVZGAO-SCZZXKLOSA-N -1 3 267.285 1.922 20 5 CDBDHM O=c1[n-]ccc(NCC[C@@]2(O)CCCOC2)c1[N+](=O)[O-] ZINC000596295370 343290296 /nfs/dbraw/zinc/29/02/96/343290296.db2.gz KYBLFSFBHNWJFY-LBPRGKRZSA-N -1 3 283.284 1.039 20 5 CDBDHM C[C@](O)(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000565956438 365767871 /nfs/dbraw/zinc/76/78/71/365767871.db2.gz GUEDXNWEEMTKSD-AWEZNQCLSA-N -1 3 294.307 1.395 20 5 CDBDHM CN(CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000273280076 192098747 /nfs/dbraw/zinc/09/87/47/192098747.db2.gz GTFLNALDTHJOHO-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM O=C([O-])[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000164557286 362667263 /nfs/dbraw/zinc/66/72/63/362667263.db2.gz HNTMNQVHDGHNLL-NSHDSACASA-N -1 3 294.307 1.770 20 5 CDBDHM O=C([O-])[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062134254 363014074 /nfs/dbraw/zinc/01/40/74/363014074.db2.gz GZEIATKOZFBZFN-JTQLQIEISA-N -1 3 250.254 1.501 20 5 CDBDHM CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000580315627 366167250 /nfs/dbraw/zinc/16/72/50/366167250.db2.gz LYIIDNQUZWVDNX-UHFFFAOYSA-N -1 3 293.323 1.823 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncnn2C)c1 ZINC000282853818 357478858 /nfs/dbraw/zinc/47/88/58/357478858.db2.gz OEAJDNXXAJIUHT-UHFFFAOYSA-N -1 3 291.267 1.374 20 5 CDBDHM COCCn1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000048346574 359202474 /nfs/dbraw/zinc/20/24/74/359202474.db2.gz VLQVAVSBDONXDH-UHFFFAOYSA-N -1 3 263.257 1.576 20 5 CDBDHM COc1ccc([O-])c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000340308865 359637415 /nfs/dbraw/zinc/63/74/15/359637415.db2.gz GJPDBTNKTWSQFD-UHFFFAOYSA-N -1 3 292.251 1.593 20 5 CDBDHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420707845 244337306 /nfs/dbraw/zinc/33/73/06/244337306.db2.gz OOPJWJHICZNLFL-SECBINFHSA-N -1 3 272.326 1.919 20 5 CDBDHM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1 ZINC000423707239 392966990 /nfs/dbraw/zinc/96/69/90/392966990.db2.gz KJVOKOBTWVUVPS-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM Cc1cc(NCc2cnc(C)[n-]c2=O)ncc1[N+](=O)[O-] ZINC000343591355 152236547 /nfs/dbraw/zinc/23/65/47/152236547.db2.gz BDKITBQBOXCFIG-UHFFFAOYSA-N -1 3 275.268 1.136 20 5 CDBDHM COc1ccc(CN[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000362350242 159127357 /nfs/dbraw/zinc/12/73/57/159127357.db2.gz YWJDCSFASUVKJW-QMMMGPOBSA-N -1 3 268.269 1.556 20 5 CDBDHM CCOCCO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000186943753 262117422 /nfs/dbraw/zinc/11/74/22/262117422.db2.gz OBBAWORQWUWKHB-BQYQJAHWSA-N -1 3 280.280 1.692 20 5 CDBDHM CC[C@@H](C(=O)[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332704441 280085120 /nfs/dbraw/zinc/08/51/20/280085120.db2.gz WLAOYTUYOMVKLC-LBPRGKRZSA-N -1 3 264.281 1.816 20 5 CDBDHM C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000225818002 280098122 /nfs/dbraw/zinc/09/81/22/280098122.db2.gz BCKISNSGVVOUNU-NXEZZACHSA-N -1 3 293.323 1.513 20 5 CDBDHM COCC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000532450736 281985927 /nfs/dbraw/zinc/98/59/27/281985927.db2.gz BVRDCSBONXUQQB-UHFFFAOYSA-N -1 3 286.309 1.052 20 5 CDBDHM CCCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590619857 1173478015 /nfs/dbraw/zinc/47/80/15/1173478015.db2.gz JJTXECIBZPVOIV-UHFFFAOYSA-N -1 3 276.300 1.930 20 5 CDBDHM CCCN(C)c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590619857 1173478021 /nfs/dbraw/zinc/47/80/21/1173478021.db2.gz JJTXECIBZPVOIV-UHFFFAOYSA-N -1 3 276.300 1.930 20 5 CDBDHM Cc1nc(N2CCc3c(nc[n-]c3=O)C2)ccc1[N+](=O)[O-] ZINC000515227906 482235485 /nfs/dbraw/zinc/23/54/85/482235485.db2.gz AMTIIRGIVBLLPK-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM O=C(OCc1cc(=O)c([O-])co1)c1csc([N+](=O)[O-])c1 ZINC000736791072 575746690 /nfs/dbraw/zinc/74/66/90/575746690.db2.gz VQNAOBGOXDCCDO-UHFFFAOYSA-N -1 3 297.244 1.672 20 5 CDBDHM Cc1nn(C)c(C(=O)[N-]Oc2ccccc2)c1[N+](=O)[O-] ZINC000773472859 575813595 /nfs/dbraw/zinc/81/35/95/575813595.db2.gz MDDUWTVDBHVBES-UHFFFAOYSA-N -1 3 276.252 1.361 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]OCC(F)(F)F)c1[N+](=O)[O-] ZINC000768292616 576268783 /nfs/dbraw/zinc/26/87/83/576268783.db2.gz UFUALGNFKJKKGT-UHFFFAOYSA-N -1 3 282.178 1.104 20 5 CDBDHM C[C@H](C(=O)[O-])N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757168130 577033321 /nfs/dbraw/zinc/03/33/21/577033321.db2.gz VRTKEVQQZZLWMQ-MRVPVSSYSA-N -1 3 250.254 1.426 20 5 CDBDHM O=C([O-])CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000833226035 601840295 /nfs/dbraw/zinc/84/02/95/601840295.db2.gz YKJAQCYXCYCEBZ-UHFFFAOYSA-N -1 3 296.327 1.368 20 5 CDBDHM C[C@@H]1CCCN1CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001604739469 1163304991 /nfs/dbraw/zinc/30/49/91/1163304991.db2.gz ASDZQFNGOLVRNZ-SECBINFHSA-N -1 3 294.311 1.584 20 5 CDBDHM Cc1cc(N[C@@H](C)CCO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605721279 1163650161 /nfs/dbraw/zinc/65/01/61/1163650161.db2.gz TVFYHBMNSYMARS-QMMMGPOBSA-N -1 3 292.299 1.266 20 5 CDBDHM Cc1cc(N[C@@H](C)CCO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605721279 1163650164 /nfs/dbraw/zinc/65/01/64/1163650164.db2.gz TVFYHBMNSYMARS-QMMMGPOBSA-N -1 3 292.299 1.266 20 5 CDBDHM Cc1noc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001608028225 1164383111 /nfs/dbraw/zinc/38/31/11/1164383111.db2.gz VSJZMQULUGXRSJ-SBMIAAHKSA-N -1 3 295.295 1.576 20 5 CDBDHM O=C([O-])[C@]1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC001608576741 1164553538 /nfs/dbraw/zinc/55/35/38/1164553538.db2.gz JIQGMFOHIDPLLP-LBPRGKRZSA-N -1 3 284.243 1.067 20 5 CDBDHM O=[N+]([O-])c1cnc(NC/C=C\C2CC2)c(-c2nnn[n-]2)c1 ZINC001609603658 1165002315 /nfs/dbraw/zinc/00/23/15/1165002315.db2.gz VKRKHKSZIDBOOJ-UPHRSURJSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cnc(NC/C=C\C2CC2)c(-c2nn[n-]n2)c1 ZINC001609603658 1165002319 /nfs/dbraw/zinc/00/23/19/1165002319.db2.gz VKRKHKSZIDBOOJ-UPHRSURJSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC[C@H]2C(F)F)ccc1-c1nnn[n-]1 ZINC001593472187 1174081571 /nfs/dbraw/zinc/08/15/71/1174081571.db2.gz XINJTINQNJLYSK-QMMMGPOBSA-N -1 3 296.237 1.619 20 5 CDBDHM CC[C@@H]1CCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604110008 1175766971 /nfs/dbraw/zinc/76/69/71/1175766971.db2.gz WZNBVZNIHMWYHM-SECBINFHSA-N -1 3 274.284 1.764 20 5 CDBDHM CC[C@@H]1CCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604110008 1175766976 /nfs/dbraw/zinc/76/69/76/1175766976.db2.gz WZNBVZNIHMWYHM-SECBINFHSA-N -1 3 274.284 1.764 20 5 CDBDHM COc1ccc(CC(=O)[N-]OCC2CCC2)cc1[N+](=O)[O-] ZINC000856347257 822745645 /nfs/dbraw/zinc/74/56/45/822745645.db2.gz JOHMBENHLKRLKG-UHFFFAOYSA-N -1 3 294.307 1.994 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000803525714 823969842 /nfs/dbraw/zinc/96/98/42/823969842.db2.gz HEGXMUGNTHOKDE-UHFFFAOYSA-N -1 3 279.231 1.598 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000803526660 824086114 /nfs/dbraw/zinc/08/61/14/824086114.db2.gz FSLAFNPFLGYPGW-UHFFFAOYSA-N -1 3 293.258 1.906 20 5 CDBDHM CC(C)OCCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000812801709 824751772 /nfs/dbraw/zinc/75/17/72/824751772.db2.gz NGUSVVBEIYWKIQ-UHFFFAOYSA-N -1 3 282.296 1.610 20 5 CDBDHM O=C([O-])[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000849231596 826192518 /nfs/dbraw/zinc/19/25/18/826192518.db2.gz BMKDNZJBQCAACY-KYZUINATSA-N -1 3 268.244 1.687 20 5 CDBDHM C[C@@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824698718 826811366 /nfs/dbraw/zinc/81/13/66/826811366.db2.gz NRJGARCSLDMGAC-JGVFFNPUSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824698718 826811367 /nfs/dbraw/zinc/81/13/67/826811367.db2.gz NRJGARCSLDMGAC-JGVFFNPUSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1cnc(Nc2cnc(C)[n-]c2=O)c([N+](=O)[O-])c1 ZINC001162298133 938973856 /nfs/dbraw/zinc/97/38/56/938973856.db2.gz MJELGKHVRLUGHI-QMMMGPOBSA-N -1 3 261.241 1.108 20 5 CDBDHM Cc1ncc(Nc2ncc([N+](=O)[O-])c3ccccc32)c(=O)[n-]1 ZINC001162300224 938974633 /nfs/dbraw/zinc/97/46/33/938974633.db2.gz GYGZTJRUFKFGAF-NSHDSACASA-N -1 3 297.274 1.953 20 5 CDBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)ncc1[N+](=O)[O-] ZINC001164374972 939467774 /nfs/dbraw/zinc/46/77/74/939467774.db2.gz QMNYAKAVMPLLNF-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM NC(=O)c1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)c([O-])c1 ZINC001209939157 940652886 /nfs/dbraw/zinc/65/28/86/940652886.db2.gz IFYYICSJBXDITB-UHFFFAOYSA-N -1 3 288.263 1.725 20 5 CDBDHM COCCN1CCC(Oc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001225490309 941869650 /nfs/dbraw/zinc/86/96/50/941869650.db2.gz HDTSRTDXRVRXHI-UHFFFAOYSA-N -1 3 296.323 1.790 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCOC2)c2[n-]cnc21 ZINC001227692750 942204602 /nfs/dbraw/zinc/20/46/02/942204602.db2.gz BUSKARCZCPGHEN-ZCFIWIBFSA-N -1 3 250.214 1.034 20 5 CDBDHM C[S@](=O)[C@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001307225691 956381778 /nfs/dbraw/zinc/38/17/78/956381778.db2.gz IXKLFVUAWQEJSI-GLGDLZNWSA-N -1 3 285.325 1.407 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CN3CCC2CC3)c1 ZINC000211493435 959689304 /nfs/dbraw/zinc/68/93/04/959689304.db2.gz YBUXXBZLKQKHPL-GFCCVEGCSA-N -1 3 291.307 1.799 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2C=CCC2)c(-c2nn[n-]n2)c1 ZINC001593479461 1174082903 /nfs/dbraw/zinc/08/29/03/1174082903.db2.gz ZEDRLPANFDNXJG-MRVPVSSYSA-N -1 3 272.268 1.905 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccccc1[N+](=O)[O-] ZINC000601195118 342488756 /nfs/dbraw/zinc/48/87/56/342488756.db2.gz DPPOUBFDSSNGRF-SECBINFHSA-N -1 3 262.269 1.519 20 5 CDBDHM COC(=O)CSCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596114669 343231377 /nfs/dbraw/zinc/23/13/77/343231377.db2.gz MOELAOJISIVPES-UHFFFAOYSA-N -1 3 287.297 1.014 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000596217341 343269125 /nfs/dbraw/zinc/26/91/25/343269125.db2.gz JQNROYGRNVRJFI-RNCFNFMXSA-N -1 3 295.295 1.080 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000596217863 343269331 /nfs/dbraw/zinc/26/93/31/343269331.db2.gz YHLXJPIRRJSVET-ZETCQYMHSA-N -1 3 255.299 1.860 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000596248176 343273714 /nfs/dbraw/zinc/27/37/14/343273714.db2.gz GBXKOUXFCVHHAG-SFYZADRCSA-N -1 3 253.258 1.268 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H](CO)CC2CC2)c1[N+](=O)[O-] ZINC000596492550 343331180 /nfs/dbraw/zinc/33/11/80/343331180.db2.gz PJENOKBVXFRZPY-VIFPVBQESA-N -1 3 267.285 1.516 20 5 CDBDHM C[S@](=O)[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596366227 343305447 /nfs/dbraw/zinc/30/54/47/343305447.db2.gz NACODAPXQXEHAX-DYCLVXDSSA-N -1 3 299.352 1.797 20 5 CDBDHM O=c1[n-]ccc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596359085 343310119 /nfs/dbraw/zinc/31/01/19/343310119.db2.gz FXQSRFDMLGEGBC-KXUCPTDWSA-N -1 3 279.296 1.293 20 5 CDBDHM CCOc1cc(CN2CC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000565896917 365746714 /nfs/dbraw/zinc/74/67/14/365746714.db2.gz ANVDBJFZMMSMIW-LLVKDONJSA-N -1 3 294.307 1.900 20 5 CDBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc2nc[nH]c2c1 ZINC000611294663 346738588 /nfs/dbraw/zinc/73/85/88/346738588.db2.gz HQMIGXLXPSDMBG-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM CC(C)c1n[nH]c(C(=O)[N-]C2=NCCS2)c1[N+](=O)[O-] ZINC000269314221 535320935 /nfs/dbraw/zinc/32/09/35/535320935.db2.gz AWOUTJNYNDXIEU-UHFFFAOYSA-N -1 3 283.313 1.274 20 5 CDBDHM COCCCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000287910609 359136253 /nfs/dbraw/zinc/13/62/53/359136253.db2.gz SWCSCJKCXNAVTF-UHFFFAOYSA-N -1 3 268.269 1.222 20 5 CDBDHM Cc1cc(N(C)C[C@@H](C)c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000095331142 360215996 /nfs/dbraw/zinc/21/59/96/360215996.db2.gz KVJTYAYFHODJKD-SECBINFHSA-N -1 3 276.300 1.656 20 5 CDBDHM Cc1cc(N(C)C[C@@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000095331142 360216001 /nfs/dbraw/zinc/21/60/01/360216001.db2.gz KVJTYAYFHODJKD-SECBINFHSA-N -1 3 276.300 1.656 20 5 CDBDHM CC(C)C(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596055297 360782361 /nfs/dbraw/zinc/78/23/61/360782361.db2.gz VKWMXRQIPBGGSO-UHFFFAOYSA-N -1 3 294.311 1.000 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000276350130 193295532 /nfs/dbraw/zinc/29/55/32/193295532.db2.gz WJEDJJQZCJKIRW-VIFPVBQESA-N -1 3 296.279 1.301 20 5 CDBDHM O=C(Nc1ccc2n[nH]cc2c1)c1cc([N+](=O)[O-])cnc1[O-] ZINC000124701090 374839415 /nfs/dbraw/zinc/83/94/15/374839415.db2.gz ISKTVCSQDDEIHV-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM O=C(Nc1ccc2n[nH]cc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000124701090 374839421 /nfs/dbraw/zinc/83/94/21/374839421.db2.gz ISKTVCSQDDEIHV-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM CN(C[C@H]1CCCN1C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331234628 374910428 /nfs/dbraw/zinc/91/04/28/374910428.db2.gz DLGKTSDAUUOSSZ-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM COc1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1[O-] ZINC000352871281 375548336 /nfs/dbraw/zinc/54/83/36/375548336.db2.gz RNGGWLLELJOVMM-UHFFFAOYSA-N -1 3 278.224 1.284 20 5 CDBDHM O=[N+]([O-])c1c(Sc2nnc(CO)[n-]2)nc2sccn21 ZINC000526073999 392946236 /nfs/dbraw/zinc/94/62/36/392946236.db2.gz XGGAWBSSTSCASI-UHFFFAOYSA-N -1 3 298.309 1.066 20 5 CDBDHM O=[N+]([O-])c1c(Sc2nc(CO)n[n-]2)nc2sccn21 ZINC000526073999 392946239 /nfs/dbraw/zinc/94/62/39/392946239.db2.gz XGGAWBSSTSCASI-UHFFFAOYSA-N -1 3 298.309 1.066 20 5 CDBDHM O=[N+]([O-])c1c(Sc2n[n-]c(CO)n2)nc2sccn21 ZINC000526073999 392946243 /nfs/dbraw/zinc/94/62/43/392946243.db2.gz XGGAWBSSTSCASI-UHFFFAOYSA-N -1 3 298.309 1.066 20 5 CDBDHM Cc1cccc([O-])c1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000352677273 155355809 /nfs/dbraw/zinc/35/58/09/155355809.db2.gz CZQKHSOQOWKPKI-UHFFFAOYSA-N -1 3 276.252 1.595 20 5 CDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)ccc1[O-] ZINC000020435924 171201732 /nfs/dbraw/zinc/20/17/32/171201732.db2.gz GNVNLYCDQDZYFG-UHFFFAOYSA-N -1 3 296.670 1.789 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000532501922 281992189 /nfs/dbraw/zinc/99/21/89/281992189.db2.gz QFXDRVFXKRAQIN-QMMMGPOBSA-N -1 3 297.702 1.567 20 5 CDBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000330455453 289981215 /nfs/dbraw/zinc/98/12/15/289981215.db2.gz NVXAIJZHLXUNEX-VHSXEESVSA-N -1 3 266.297 1.815 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350575332 316180558 /nfs/dbraw/zinc/18/05/58/316180558.db2.gz HTWIMDAUBPPSMO-UHFFFAOYSA-N -1 3 287.235 1.751 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000577539497 317353012 /nfs/dbraw/zinc/35/30/12/317353012.db2.gz WBDOPJMYZRVPHC-UHFFFAOYSA-N -1 3 290.254 1.792 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])C1CC1 ZINC000054523158 525461191 /nfs/dbraw/zinc/46/11/91/525461191.db2.gz VSEAZSWGRATQOX-GFCCVEGCSA-N -1 3 280.280 1.556 20 5 CDBDHM Cc1noc(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001600812920 1174624761 /nfs/dbraw/zinc/62/47/61/1174624761.db2.gz QCYHXKMYLKRTOW-ZANVPECISA-N -1 3 295.295 1.578 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCCC1=O ZINC000770542842 575463283 /nfs/dbraw/zinc/46/32/83/575463283.db2.gz AQSUAZYXUMJPPA-UHFFFAOYSA-N -1 3 263.253 1.170 20 5 CDBDHM COCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736979945 575782495 /nfs/dbraw/zinc/78/24/95/575782495.db2.gz VVOPUELNOGKWSG-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM COCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736979945 575782500 /nfs/dbraw/zinc/78/25/00/575782500.db2.gz VVOPUELNOGKWSG-QMMMGPOBSA-N -1 3 292.299 1.612 20 5 CDBDHM O=[N+]([O-])c1cnccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000738374997 576063939 /nfs/dbraw/zinc/06/39/39/576063939.db2.gz XFSZRGXMFVHFEG-UHFFFAOYSA-N -1 3 297.278 1.204 20 5 CDBDHM O=[N+]([O-])c1cnccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000738374997 576063940 /nfs/dbraw/zinc/06/39/40/576063940.db2.gz XFSZRGXMFVHFEG-UHFFFAOYSA-N -1 3 297.278 1.204 20 5 CDBDHM Cc1cc([O-])ccc1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000758536906 577114746 /nfs/dbraw/zinc/11/47/46/577114746.db2.gz PIXSWKCRHQAXGT-UHFFFAOYSA-N -1 3 291.263 1.662 20 5 CDBDHM C[C@@H](CCO)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820248976 599082762 /nfs/dbraw/zinc/08/27/62/599082762.db2.gz QCBCIFSSYSZQMU-ZETCQYMHSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@@H](CCO)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820248976 599082765 /nfs/dbraw/zinc/08/27/65/599082765.db2.gz QCBCIFSSYSZQMU-ZETCQYMHSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825021662 608147990 /nfs/dbraw/zinc/14/79/90/608147990.db2.gz SFHNPLMSDCTRMV-GMSGAONNSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825021662 608147992 /nfs/dbraw/zinc/14/79/92/608147992.db2.gz SFHNPLMSDCTRMV-GMSGAONNSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC(F)CC2)c(-c2nnn[n-]2)c1 ZINC001607081106 1164071642 /nfs/dbraw/zinc/07/16/42/1164071642.db2.gz BZZGDWIZBTVPLR-UHFFFAOYSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CCC(F)CC2)c(-c2nn[n-]n2)c1 ZINC001607081106 1164071651 /nfs/dbraw/zinc/07/16/51/1164071651.db2.gz BZZGDWIZBTVPLR-UHFFFAOYSA-N -1 3 292.274 1.713 20 5 CDBDHM CC1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609174615 1164817519 /nfs/dbraw/zinc/81/75/19/1164817519.db2.gz BALNINNQERBABE-UHFFFAOYSA-N -1 3 260.257 1.231 20 5 CDBDHM CC1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609174615 1164817524 /nfs/dbraw/zinc/81/75/24/1164817524.db2.gz BALNINNQERBABE-UHFFFAOYSA-N -1 3 260.257 1.231 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2C=CCC2)c(-c2nnn[n-]2)c1 ZINC001593479461 1174082899 /nfs/dbraw/zinc/08/28/99/1174082899.db2.gz ZEDRLPANFDNXJG-MRVPVSSYSA-N -1 3 272.268 1.905 20 5 CDBDHM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NCC[N+](=O)[O-] ZINC001608540583 1164538443 /nfs/dbraw/zinc/53/84/43/1164538443.db2.gz RVUXGYRDGGVUGG-LLVKDONJSA-N -1 3 278.264 1.295 20 5 CDBDHM CC[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OC ZINC001609190827 1164833627 /nfs/dbraw/zinc/83/36/27/1164833627.db2.gz XIDCQDHOLUZAHP-VIFPVBQESA-N -1 3 292.299 1.612 20 5 CDBDHM CC[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OC ZINC001609190827 1164833634 /nfs/dbraw/zinc/83/36/34/1164833634.db2.gz XIDCQDHOLUZAHP-VIFPVBQESA-N -1 3 292.299 1.612 20 5 CDBDHM CO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781599800 829240685 /nfs/dbraw/zinc/24/06/85/829240685.db2.gz MCCSMVMCXKCPAA-UHFFFAOYSA-N -1 3 269.213 1.113 20 5 CDBDHM CCCC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001055697118 833340164 /nfs/dbraw/zinc/34/01/64/833340164.db2.gz QBHBUMBXNJHSMF-UHFFFAOYSA-N -1 3 294.311 1.144 20 5 CDBDHM CSc1ccc(C(=O)[N-]N2CCOC2=O)cc1[N+](=O)[O-] ZINC000862696487 832623472 /nfs/dbraw/zinc/62/34/72/832623472.db2.gz MUCCWSCLOCXNOZ-UHFFFAOYSA-N -1 3 297.292 1.414 20 5 CDBDHM CCCC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106659606 914108639 /nfs/dbraw/zinc/10/86/39/914108639.db2.gz MPIOTZYYIQZQNO-UHFFFAOYSA-N -1 3 296.327 1.756 20 5 CDBDHM Cc1cc(Cl)c([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162298378 922202894 /nfs/dbraw/zinc/20/28/94/922202894.db2.gz PPCUKOCVKGGRAV-QMMMGPOBSA-N -1 3 295.686 1.762 20 5 CDBDHM CCCN(CC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC001119540516 937730166 /nfs/dbraw/zinc/73/01/66/937730166.db2.gz IPXQCYZUVHPNMX-UHFFFAOYSA-N -1 3 253.258 1.286 20 5 CDBDHM O=C([N-]c1cccc2n[nH]nc21)c1ccc([N+](=O)[O-])o1 ZINC001158809071 938665327 /nfs/dbraw/zinc/66/53/27/938665327.db2.gz HMXWZMDCWSSNGP-UHFFFAOYSA-N -1 3 273.208 1.711 20 5 CDBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccn1 ZINC001160540967 938797502 /nfs/dbraw/zinc/79/75/02/938797502.db2.gz REWIXGKFIMXARP-UHFFFAOYSA-N -1 3 290.235 1.351 20 5 CDBDHM Cc1ncc(Nc2ncc([N+](=O)[O-])c3ccccc32)c(=O)[n-]1 ZINC001162300223 938974858 /nfs/dbraw/zinc/97/48/58/938974858.db2.gz GYGZTJRUFKFGAF-LLVKDONJSA-N -1 3 297.274 1.953 20 5 CDBDHM Cc1cc(C)c([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162301910 938975066 /nfs/dbraw/zinc/97/50/66/938975066.db2.gz WHMNQUPMECTATJ-VIFPVBQESA-N -1 3 275.268 1.417 20 5 CDBDHM CN(Cc1cnccn1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001162575916 939091034 /nfs/dbraw/zinc/09/10/34/939091034.db2.gz HFVFBCZSSNDSKI-UHFFFAOYSA-N -1 3 261.241 1.122 20 5 CDBDHM COc1ncc(Nc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC001210136542 940666033 /nfs/dbraw/zinc/66/60/33/940666033.db2.gz KNKWEMVWPRIYIV-UHFFFAOYSA-N -1 3 277.240 1.546 20 5 CDBDHM COC[C@@H](C)OC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664721 941895985 /nfs/dbraw/zinc/89/59/85/941895985.db2.gz RZTCAFRZRDIMFU-BDAKNGLRSA-N -1 3 286.284 1.514 20 5 CDBDHM C[C@H](O)CCCC(=O)Oc1[n-]cc([N+](=O)[O-])c2ncnc1-2 ZINC001227689712 942203259 /nfs/dbraw/zinc/20/32/59/942203259.db2.gz CGKBDCVWVLBNPC-ZETCQYMHSA-N -1 3 294.267 1.323 20 5 CDBDHM C[C@H](O)CCCC(=O)Oc1ncc([N+](=O)[O-])c2[n-]cnc21 ZINC001227689712 942203263 /nfs/dbraw/zinc/20/32/63/942203263.db2.gz CGKBDCVWVLBNPC-ZETCQYMHSA-N -1 3 294.267 1.323 20 5 CDBDHM C[C@H](O)CCCC(=O)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689712 942203267 /nfs/dbraw/zinc/20/32/67/942203267.db2.gz CGKBDCVWVLBNPC-ZETCQYMHSA-N -1 3 294.267 1.323 20 5 CDBDHM C[C@H]1COCC[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694790 942206438 /nfs/dbraw/zinc/20/64/38/942206438.db2.gz JEQHAXSHKPMHJN-IONNQARKSA-N -1 3 278.268 1.670 20 5 CDBDHM Cc1cc2nc(O[C@@H]3CCCOC3=O)[n-]c2cc1[N+](=O)[O-] ZINC001228673925 942354201 /nfs/dbraw/zinc/35/42/01/942354201.db2.gz HPOGRENNGJPFGT-LLVKDONJSA-N -1 3 291.263 1.864 20 5 CDBDHM Cc1cc2[n-]c(O[C@@H]3CCCOC3=O)nc2cc1[N+](=O)[O-] ZINC001228673925 942354205 /nfs/dbraw/zinc/35/42/05/942354205.db2.gz HPOGRENNGJPFGT-LLVKDONJSA-N -1 3 291.263 1.864 20 5 CDBDHM Cc1cc2[n-]c(OC3COCOC3)nc2cc1[N+](=O)[O-] ZINC001228676246 942354357 /nfs/dbraw/zinc/35/43/57/942354357.db2.gz XEFIFCKXVJCCBN-UHFFFAOYSA-N -1 3 279.252 1.531 20 5 CDBDHM COc1ccc(Nc2cnc[n-]c2=O)c([N+](=O)[O-])c1 ZINC001248465841 949052690 /nfs/dbraw/zinc/05/26/90/949052690.db2.gz GIGKEOXNUJQXKZ-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000090360175 958110749 /nfs/dbraw/zinc/11/07/49/958110749.db2.gz OXEUKMIHWGTDRN-LLVKDONJSA-N -1 3 295.251 1.456 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOCCF ZINC001593475521 1174081485 /nfs/dbraw/zinc/08/14/85/1174081485.db2.gz PXBQRSALDVTVFM-UHFFFAOYSA-N -1 3 296.262 1.173 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOCCF ZINC001593475521 1174081488 /nfs/dbraw/zinc/08/14/88/1174081488.db2.gz PXBQRSALDVTVFM-UHFFFAOYSA-N -1 3 296.262 1.173 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000601195404 342488869 /nfs/dbraw/zinc/48/88/69/342488869.db2.gz NEPYJLTXYWMQAE-MRVPVSSYSA-N -1 3 280.259 1.658 20 5 CDBDHM CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601282692 342548846 /nfs/dbraw/zinc/54/88/46/342548846.db2.gz AKJNETQCXXDMHP-UHFFFAOYSA-N -1 3 262.262 1.341 20 5 CDBDHM CCCS(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000136296321 361812862 /nfs/dbraw/zinc/81/28/62/361812862.db2.gz ZEEMWKFLKJCUHN-UHFFFAOYSA-N -1 3 274.298 1.755 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](c3ncc[nH]3)C2)c1[N+](=O)[O-] ZINC000596107410 343229108 /nfs/dbraw/zinc/22/91/08/343229108.db2.gz IBVHTGOEIHIEPX-SECBINFHSA-N -1 3 289.295 1.803 20 5 CDBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CN1CCOCC1 ZINC000596133193 343238991 /nfs/dbraw/zinc/23/89/91/343238991.db2.gz FGKVXZUDBCQGHR-SNVBAGLBSA-N -1 3 296.327 1.076 20 5 CDBDHM CC[C@@H](C)[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123587 343248997 /nfs/dbraw/zinc/24/89/97/343248997.db2.gz PTWWWTSCCGSQQH-VXNVDRBHSA-N -1 3 255.274 1.514 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000596209816 343266959 /nfs/dbraw/zinc/26/69/59/343266959.db2.gz RWCKEBLGMOMOPL-IUCAKERBSA-N -1 3 267.285 1.658 20 5 CDBDHM C[C@H](CC(C)(C)O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596251793 343274829 /nfs/dbraw/zinc/27/48/29/343274829.db2.gz YHONHDZQSOHYJE-SSDOTTSWSA-N -1 3 255.274 1.657 20 5 CDBDHM C[C@H]1[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCN1C ZINC000436980735 362246653 /nfs/dbraw/zinc/24/66/53/362246653.db2.gz OUBZNRLWJRQNHW-GXSJLCMTSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1CO ZINC000598637815 343863957 /nfs/dbraw/zinc/86/39/57/343863957.db2.gz NBZGDDCYZRADMN-BDAKNGLRSA-N -1 3 267.285 1.150 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])cc1 ZINC000539188732 282448605 /nfs/dbraw/zinc/44/86/05/282448605.db2.gz NYYPREMLVPKYHT-LLVKDONJSA-N -1 3 262.269 1.519 20 5 CDBDHM Cc1cnc(OCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000584817469 346443167 /nfs/dbraw/zinc/44/31/67/346443167.db2.gz ZXFXSJMTTVVERW-UHFFFAOYSA-N -1 3 261.237 1.978 20 5 CDBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611213427 346691862 /nfs/dbraw/zinc/69/18/62/346691862.db2.gz BOBFQURUQHATIU-UHFFFAOYSA-N -1 3 295.280 1.039 20 5 CDBDHM COc1cc(CNCc2ccccn2)c([N+](=O)[O-])cc1[O-] ZINC000067697103 350970638 /nfs/dbraw/zinc/97/06/38/350970638.db2.gz ONPCRHCZENJYDS-UHFFFAOYSA-N -1 3 289.291 1.994 20 5 CDBDHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccccc1[N+](=O)[O-] ZINC000092925870 351300445 /nfs/dbraw/zinc/30/04/45/351300445.db2.gz WTRFWWGMXBWDES-GXSJLCMTSA-N -1 3 264.281 1.890 20 5 CDBDHM CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000271815765 191344966 /nfs/dbraw/zinc/34/49/66/191344966.db2.gz LXDVFECJGWJOGK-UHFFFAOYSA-N -1 3 291.307 1.292 20 5 CDBDHM O=C([N-]O[C@H]1CCCCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135224728 357798081 /nfs/dbraw/zinc/79/80/81/357798081.db2.gz ZCOYYQGSKDSKAR-NSHDSACASA-N -1 3 284.243 1.922 20 5 CDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(F)ccc1[O-] ZINC000174870021 364586624 /nfs/dbraw/zinc/58/66/24/364586624.db2.gz HEGGTGDYGGXSEV-UHFFFAOYSA-N -1 3 280.215 1.275 20 5 CDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000293789286 372784392 /nfs/dbraw/zinc/78/43/92/372784392.db2.gz ONCOZCCJXVUNQH-UHFFFAOYSA-N -1 3 280.280 1.822 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCC2)c(F)c1 ZINC000048664370 372881286 /nfs/dbraw/zinc/88/12/86/372881286.db2.gz JXLHKSHCOFYFIC-UHFFFAOYSA-N -1 3 288.300 1.955 20 5 CDBDHM COCc1nocc1C(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000425525951 374441331 /nfs/dbraw/zinc/44/13/31/374441331.db2.gz HSNPUYUVPIQIGV-UHFFFAOYSA-N -1 3 292.251 1.685 20 5 CDBDHM CCS(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000282741313 375101478 /nfs/dbraw/zinc/10/14/78/375101478.db2.gz UARMZDDLLWJUMG-UHFFFAOYSA-N -1 3 262.262 1.804 20 5 CDBDHM CCOC(=O)c1cc([N-]c2ncc([N+](=O)[O-])cn2)cn1C ZINC000354604704 375730761 /nfs/dbraw/zinc/73/07/61/375730761.db2.gz NMCAYCPSSMBQBI-UHFFFAOYSA-N -1 3 291.267 1.644 20 5 CDBDHM CCCc1csc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000547761952 377823067 /nfs/dbraw/zinc/82/30/67/377823067.db2.gz LFUIWGYDEUGMIE-UHFFFAOYSA-N -1 3 281.297 1.979 20 5 CDBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1c[nH]nc1[N+](=O)[O-] ZINC000548944900 392517311 /nfs/dbraw/zinc/51/73/11/392517311.db2.gz ROEGGYPSCHXOQA-UHFFFAOYSA-N -1 3 298.262 1.382 20 5 CDBDHM O=[N+]([O-])c1ccccc1Sc1n[n-]c(CO)n1 ZINC000526074441 392946225 /nfs/dbraw/zinc/94/62/25/392946225.db2.gz ULSCNWNAAXDVAH-UHFFFAOYSA-N -1 3 252.255 1.356 20 5 CDBDHM Cc1ccncc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188418104 140093878 /nfs/dbraw/zinc/09/38/78/140093878.db2.gz GRPQBGDANRHGHH-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM O=C(C[C@H]1CSCCN1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000236581908 140241626 /nfs/dbraw/zinc/24/16/26/140241626.db2.gz YRUFMUBVHIZWNW-QMMMGPOBSA-N -1 3 297.336 1.334 20 5 CDBDHM CN(CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000066924668 397602217 /nfs/dbraw/zinc/60/22/17/397602217.db2.gz XCYQXNMPDZFHMN-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000180581782 148156107 /nfs/dbraw/zinc/15/61/07/148156107.db2.gz TYWVATGFYILQEG-UHFFFAOYSA-N -1 3 292.226 1.669 20 5 CDBDHM COc1cc(F)c(F)cc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356719599 157549840 /nfs/dbraw/zinc/54/98/40/157549840.db2.gz DENUKALGFMDEHD-UHFFFAOYSA-N -1 3 298.205 1.857 20 5 CDBDHM COc1ccc(CN[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000362350239 159127185 /nfs/dbraw/zinc/12/71/85/159127185.db2.gz YWJDCSFASUVKJW-MRVPVSSYSA-N -1 3 268.269 1.556 20 5 CDBDHM CC(C)[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000035390966 172174468 /nfs/dbraw/zinc/17/44/68/172174468.db2.gz XCWAFIVJTKYBRW-LLVKDONJSA-N -1 3 270.260 1.933 20 5 CDBDHM CCN(CCC(=O)[O-])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000038024756 174007946 /nfs/dbraw/zinc/00/79/46/174007946.db2.gz HQIKCQFBGVCOQP-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM Cn1cnnc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000163018398 303033403 /nfs/dbraw/zinc/03/34/03/303033403.db2.gz RRVVEYZOJDAMRS-UHFFFAOYSA-N -1 3 281.659 1.629 20 5 CDBDHM COC[C@@H](C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591373768 1173633253 /nfs/dbraw/zinc/63/32/53/1173633253.db2.gz NUSFTJKGJOMLMO-QMMMGPOBSA-N -1 3 292.299 1.469 20 5 CDBDHM COC[C@@H](C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591373768 1173633257 /nfs/dbraw/zinc/63/32/57/1173633257.db2.gz NUSFTJKGJOMLMO-QMMMGPOBSA-N -1 3 292.299 1.469 20 5 CDBDHM CN1CC[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@@H]21 ZINC000583547214 325195482 /nfs/dbraw/zinc/19/54/82/325195482.db2.gz FWMVSIMFDVJPHG-PWSUYJOCSA-N -1 3 291.307 1.077 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC2)c(F)c1 ZINC000049239602 527374974 /nfs/dbraw/zinc/37/49/74/527374974.db2.gz WDPAYAOCFPPNBK-UHFFFAOYSA-N -1 3 288.300 1.812 20 5 CDBDHM Cn1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC000727301670 574578039 /nfs/dbraw/zinc/57/80/39/574578039.db2.gz IBTBHSGTEFNRGE-UHFFFAOYSA-N -1 3 282.206 1.859 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000732216074 575084016 /nfs/dbraw/zinc/08/40/16/575084016.db2.gz PIRRLFZCKQMGGY-UHFFFAOYSA-N -1 3 297.292 1.702 20 5 CDBDHM Cc1n[nH]c(C(=O)[N-]OCc2ccccc2)c1[N+](=O)[O-] ZINC000749720472 576959269 /nfs/dbraw/zinc/95/92/69/576959269.db2.gz JSEMEGBCOJUGDS-UHFFFAOYSA-N -1 3 276.252 1.488 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCCOC1 ZINC001607084401 1164075238 /nfs/dbraw/zinc/07/52/38/1164075238.db2.gz CXUXSKRCZNHUFT-MRVPVSSYSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCCOC1 ZINC001607084401 1164075246 /nfs/dbraw/zinc/07/52/46/1164075246.db2.gz CXUXSKRCZNHUFT-MRVPVSSYSA-N -1 3 290.283 1.366 20 5 CDBDHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc([N+](=O)[O-])cc1 ZINC001307206220 1167457142 /nfs/dbraw/zinc/45/71/42/1167457142.db2.gz FXAITZKOTVJUJB-QMMMGPOBSA-N -1 3 284.279 1.808 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NC1CSC1 ZINC001593468382 1174079763 /nfs/dbraw/zinc/07/97/63/1174079763.db2.gz KKCLYEYWZTTXKK-UHFFFAOYSA-N -1 3 296.287 1.441 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NC1CSC1 ZINC001593468382 1174079769 /nfs/dbraw/zinc/07/97/69/1174079769.db2.gz KKCLYEYWZTTXKK-UHFFFAOYSA-N -1 3 296.287 1.441 20 5 CDBDHM C[C@@H]1C[C@H](C)N1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603845729 1175650336 /nfs/dbraw/zinc/65/03/36/1175650336.db2.gz FCXKQSLPSKBALW-OCAPTIKFSA-N -1 3 274.284 1.762 20 5 CDBDHM C[C@@H]1C[C@H](C)N1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603845729 1175650339 /nfs/dbraw/zinc/65/03/39/1175650339.db2.gz FCXKQSLPSKBALW-OCAPTIKFSA-N -1 3 274.284 1.762 20 5 CDBDHM CCO[N-]C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790485369 841928991 /nfs/dbraw/zinc/92/89/91/841928991.db2.gz DYUJRGXZMLFRJQ-UHFFFAOYSA-N -1 3 276.651 1.998 20 5 CDBDHM O=[N+]([O-])c1cnc([N-][C@@H](CCO)C(F)(F)F)s1 ZINC000884835383 842771827 /nfs/dbraw/zinc/77/18/27/842771827.db2.gz QMHPNSCLSLACKS-BYPYZUCNSA-N -1 3 271.220 1.777 20 5 CDBDHM NC1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC001601176837 1167794192 /nfs/dbraw/zinc/79/41/92/1167794192.db2.gz MDJNFNWDQPZEKB-UHFFFAOYSA-N -1 3 279.252 1.113 20 5 CDBDHM Cn1nccc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695474927 899483990 /nfs/dbraw/zinc/48/39/90/899483990.db2.gz USLQNPIOYABUFC-UHFFFAOYSA-N -1 3 263.257 1.084 20 5 CDBDHM CCCN(CCNC(C)=O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101075592 936955762 /nfs/dbraw/zinc/95/57/62/936955762.db2.gz MFLWPUMHXRIOTE-UHFFFAOYSA-N -1 3 282.300 1.048 20 5 CDBDHM NC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(O)c1 ZINC001201232516 926225745 /nfs/dbraw/zinc/22/57/45/926225745.db2.gz QTKKHZSCTROZMO-UHFFFAOYSA-N -1 3 289.247 1.849 20 5 CDBDHM COc1nc(C)nc(NCc2ncccc2[O-])c1[N+](=O)[O-] ZINC001169726748 928350219 /nfs/dbraw/zinc/35/02/19/928350219.db2.gz DARLLOIBILRIJI-UHFFFAOYSA-N -1 3 291.267 1.415 20 5 CDBDHM O=C1NCc2ccccc2[C@H]1[N-]c1nccnc1[N+](=O)[O-] ZINC001169876530 928495541 /nfs/dbraw/zinc/49/55/41/928495541.db2.gz NDHSHRGCKLGGCJ-SNVBAGLBSA-N -1 3 285.263 1.168 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226510225 942017540 /nfs/dbraw/zinc/01/75/40/942017540.db2.gz JSTCTFUEUKAGGT-SSDOTTSWSA-N -1 3 293.283 1.371 20 5 CDBDHM CC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(=O)OC ZINC001227691119 942205586 /nfs/dbraw/zinc/20/55/86/942205586.db2.gz MSEDDSXSMVNDMN-SSDOTTSWSA-N -1 3 280.240 1.197 20 5 CDBDHM Cc1cc2[n-]c(O[C@@H]3COC[C@H]3F)nc2cc1[N+](=O)[O-] ZINC001228671532 942353823 /nfs/dbraw/zinc/35/38/23/942353823.db2.gz IVOXPSICYHJTLI-RDDDGLTNSA-N -1 3 281.243 1.895 20 5 CDBDHM Cc1ncc(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001254548064 947518219 /nfs/dbraw/zinc/51/82/19/947518219.db2.gz GFEMHTWXYFHXEZ-JOYOIKCWSA-N -1 3 288.307 1.513 20 5 CDBDHM C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001522828513 970580746 /nfs/dbraw/zinc/58/07/46/970580746.db2.gz WONBRNLFIPMLNO-UTLUCORTSA-N -1 3 293.323 1.511 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(F)(F)C1 ZINC001593474136 1174081493 /nfs/dbraw/zinc/08/14/93/1174081493.db2.gz FWKCQKBGPUYJIA-UHFFFAOYSA-N -1 3 282.210 1.230 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(F)(F)C1 ZINC001593474136 1174081497 /nfs/dbraw/zinc/08/14/97/1174081497.db2.gz FWKCQKBGPUYJIA-UHFFFAOYSA-N -1 3 282.210 1.230 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1sccc1[N+](=O)[O-] ZINC000601196115 342489391 /nfs/dbraw/zinc/48/93/91/342489391.db2.gz ZCLBVQXYODXSBO-ZETCQYMHSA-N -1 3 268.298 1.580 20 5 CDBDHM CC(C)(C)c1cc(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)[nH][nH]1 ZINC000588304003 342496021 /nfs/dbraw/zinc/49/60/21/342496021.db2.gz JDHAAXSANURZAA-UHFFFAOYSA-N -1 3 278.272 1.013 20 5 CDBDHM CC(C)(C)c1cc(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)[nH][nH]1 ZINC000588304003 342496022 /nfs/dbraw/zinc/49/60/22/342496022.db2.gz JDHAAXSANURZAA-UHFFFAOYSA-N -1 3 278.272 1.013 20 5 CDBDHM Cc1cc([N-]c2ccn(CCO)n2)ncc1[N+](=O)[O-] ZINC000074749412 342189349 /nfs/dbraw/zinc/18/93/49/342189349.db2.gz PYMHYTFRDWHISI-UHFFFAOYSA-N -1 3 263.257 1.231 20 5 CDBDHM O=c1[n-]ccc(NCCCO[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000596155514 343247390 /nfs/dbraw/zinc/24/73/90/343247390.db2.gz BQGJLFUBYSNXHW-SECBINFHSA-N -1 3 283.284 1.303 20 5 CDBDHM CCc1nocc1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596245345 343286231 /nfs/dbraw/zinc/28/62/31/343286231.db2.gz XMEUDYVHJFGDAH-UHFFFAOYSA-N -1 3 278.268 1.882 20 5 CDBDHM CN(C[C@H]1CCC[C@H]1O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596173890 343260148 /nfs/dbraw/zinc/26/01/48/343260148.db2.gz BRJNUJQIWRMXOX-PSASIEDQSA-N -1 3 267.285 1.293 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000596206385 343266063 /nfs/dbraw/zinc/26/60/63/343266063.db2.gz JXYOSPQNROWVCI-SFYZADRCSA-N -1 3 253.258 1.268 20 5 CDBDHM C[C@@H](C(=O)[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000051659096 362249359 /nfs/dbraw/zinc/24/93/59/362249359.db2.gz UTUVLXUNIPMVAL-JTQLQIEISA-N -1 3 279.296 1.190 20 5 CDBDHM CC1(C)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3F)[N-]C(=O)[C@@H]21 ZINC000601941272 344288054 /nfs/dbraw/zinc/28/80/54/344288054.db2.gz WKQQGVHYKOKQIE-ZJUUUORDSA-N -1 3 293.254 1.384 20 5 CDBDHM O=C([N-]c1ncc(Cl)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000120461773 345197560 /nfs/dbraw/zinc/19/75/60/345197560.db2.gz VGQHPDANLQBTKZ-UHFFFAOYSA-N -1 3 273.661 1.680 20 5 CDBDHM CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000566511257 358028196 /nfs/dbraw/zinc/02/81/96/358028196.db2.gz NSELMGFJTHGBHG-CHWSQXEVSA-N -1 3 294.307 1.659 20 5 CDBDHM CC(C)(O)CON=C([O-])Nc1ccc([N+](=O)[O-])cc1F ZINC000290854317 358685163 /nfs/dbraw/zinc/68/51/63/358685163.db2.gz XRNIEESTNUJOJG-UHFFFAOYSA-N -1 3 287.247 1.558 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000290854317 358685164 /nfs/dbraw/zinc/68/51/64/358685164.db2.gz XRNIEESTNUJOJG-UHFFFAOYSA-N -1 3 287.247 1.558 20 5 CDBDHM CN(C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130476285 360666018 /nfs/dbraw/zinc/66/60/18/360666018.db2.gz DGLDKABXZPAZAL-SNVBAGLBSA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@@H]1C[C@@H](CO)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000420945763 374306454 /nfs/dbraw/zinc/30/64/54/374306454.db2.gz SCEVYVBIPCOQBI-GHMZBOCLSA-N -1 3 280.324 1.751 20 5 CDBDHM O=C(N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331564355 374972144 /nfs/dbraw/zinc/97/21/44/374972144.db2.gz UDQAYVKXGOZDMG-VIFPVBQESA-N -1 3 291.307 1.267 20 5 CDBDHM COc1c(C(=O)[N-]c2nocc2C)cccc1[N+](=O)[O-] ZINC000356483978 375849216 /nfs/dbraw/zinc/84/92/16/375849216.db2.gz RRRIJUVKUCODEA-UHFFFAOYSA-N -1 3 277.236 1.574 20 5 CDBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCc2n[nH]cc21 ZINC000505375211 254087029 /nfs/dbraw/zinc/08/70/29/254087029.db2.gz NFHGZRVPTJKSTC-UHFFFAOYSA-N -1 3 289.251 1.012 20 5 CDBDHM COc1cc(C(=O)[N-]c2nncs2)ccc1[N+](=O)[O-] ZINC000133956726 391935573 /nfs/dbraw/zinc/93/55/73/391935573.db2.gz ZVRFBAPQIUEMPN-UHFFFAOYSA-N -1 3 280.265 1.707 20 5 CDBDHM CCc1csc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000355746235 157214695 /nfs/dbraw/zinc/21/46/95/157214695.db2.gz LPWSHXGKYRPNHC-UHFFFAOYSA-N -1 3 294.292 1.967 20 5 CDBDHM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)N2CCCC2)c1 ZINC000355847840 157263571 /nfs/dbraw/zinc/26/35/71/157263571.db2.gz VQANFJLZBYMVSR-UHFFFAOYSA-N -1 3 289.288 1.486 20 5 CDBDHM CO[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591322922 1173608992 /nfs/dbraw/zinc/60/89/92/1173608992.db2.gz GGDVNRBFFBGUFC-MRVPVSSYSA-N -1 3 292.299 1.246 20 5 CDBDHM CO[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591322922 1173608996 /nfs/dbraw/zinc/60/89/96/1173608996.db2.gz GGDVNRBFFBGUFC-MRVPVSSYSA-N -1 3 292.299 1.246 20 5 CDBDHM CS[C@H](C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591689682 1173681274 /nfs/dbraw/zinc/68/12/74/1173681274.db2.gz OBPJLPXWEONNQE-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM CS[C@H](C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591689682 1173681277 /nfs/dbraw/zinc/68/12/77/1173681277.db2.gz OBPJLPXWEONNQE-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM CS[C@H](C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591688956 1173682777 /nfs/dbraw/zinc/68/27/77/1173682777.db2.gz GBDIWEVKVVZWQH-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM COCCN(CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C ZINC000737794071 574719802 /nfs/dbraw/zinc/71/98/02/574719802.db2.gz IUYOAFRHLFNERJ-UHFFFAOYSA-N -1 3 296.323 1.826 20 5 CDBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCC1 ZINC000736841312 575763039 /nfs/dbraw/zinc/76/30/39/575763039.db2.gz DYRXLBBVZVYQNF-UHFFFAOYSA-N -1 3 274.284 1.764 20 5 CDBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCC1 ZINC000736841312 575763041 /nfs/dbraw/zinc/76/30/41/575763041.db2.gz DYRXLBBVZVYQNF-UHFFFAOYSA-N -1 3 274.284 1.764 20 5 CDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nnc[n-]1)CC2 ZINC000773992039 575847125 /nfs/dbraw/zinc/84/71/25/575847125.db2.gz UCLTXQHNVJMGRM-UHFFFAOYSA-N -1 3 273.252 1.224 20 5 CDBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nc[n-]n1)CC2 ZINC000773992039 575847127 /nfs/dbraw/zinc/84/71/27/575847127.db2.gz UCLTXQHNVJMGRM-UHFFFAOYSA-N -1 3 273.252 1.224 20 5 CDBDHM CSC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737175867 575894858 /nfs/dbraw/zinc/89/48/58/575894858.db2.gz IVTDIANHVZBINQ-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM CSC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737175867 575894859 /nfs/dbraw/zinc/89/48/59/575894859.db2.gz IVTDIANHVZBINQ-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCC(F)(F)F ZINC000766763176 576132554 /nfs/dbraw/zinc/13/25/54/576132554.db2.gz BNKYOTYSDXXQLQ-UHFFFAOYSA-N -1 3 278.186 1.747 20 5 CDBDHM CCCc1n[nH]c(C(=O)[N-]OCC(F)(F)F)c1[N+](=O)[O-] ZINC000766766205 576133007 /nfs/dbraw/zinc/13/30/07/576133007.db2.gz VQKFFEQIEJLOOK-UHFFFAOYSA-N -1 3 296.205 1.494 20 5 CDBDHM O=C([N-]n1ccccc1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768728062 576304793 /nfs/dbraw/zinc/30/47/93/576304793.db2.gz BCQIUVALEDSZNW-UHFFFAOYSA-N -1 3 293.666 1.794 20 5 CDBDHM Cc1ccc(CN2CC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000714013829 598129205 /nfs/dbraw/zinc/12/92/05/598129205.db2.gz QOACIEDVMAYYJU-NSHDSACASA-N -1 3 264.281 1.810 20 5 CDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000820775007 606418491 /nfs/dbraw/zinc/41/84/91/606418491.db2.gz HMOKMEDMYMWXDZ-RKDXNWHRSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000820775007 606418495 /nfs/dbraw/zinc/41/84/95/606418495.db2.gz HMOKMEDMYMWXDZ-RKDXNWHRSA-N -1 3 288.311 1.867 20 5 CDBDHM O=[N+]([O-])c1ccc(NCC(F)F)c(-c2nnn[n-]2)c1 ZINC000823640154 606420679 /nfs/dbraw/zinc/42/06/79/606420679.db2.gz VKPHFJBEPLVGGM-UHFFFAOYSA-N -1 3 270.199 1.452 20 5 CDBDHM O=[N+]([O-])c1ccc(NCC(F)F)c(-c2nn[n-]n2)c1 ZINC000823640154 606420681 /nfs/dbraw/zinc/42/06/81/606420681.db2.gz VKPHFJBEPLVGGM-UHFFFAOYSA-N -1 3 270.199 1.452 20 5 CDBDHM O=[N+]([O-])c1ccc(Cn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000826497968 607891963 /nfs/dbraw/zinc/89/19/63/607891963.db2.gz BCOCYIFYNDUWCV-UHFFFAOYSA-N -1 3 270.252 1.625 20 5 CDBDHM O=[N+]([O-])c1ccc(Cn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000826497968 607891964 /nfs/dbraw/zinc/89/19/64/607891964.db2.gz BCOCYIFYNDUWCV-UHFFFAOYSA-N -1 3 270.252 1.625 20 5 CDBDHM O=[N+]([O-])c1cc(NC2(CO)CCC2)ccc1-c1nnn[n-]1 ZINC001607080598 1164072738 /nfs/dbraw/zinc/07/27/38/1164072738.db2.gz YGEUHZUREHQBFK-UHFFFAOYSA-N -1 3 290.283 1.102 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC=C(F)C1 ZINC001607084188 1164072929 /nfs/dbraw/zinc/07/29/29/1164072929.db2.gz USQHJPUZYJKADT-UHFFFAOYSA-N -1 3 290.258 1.838 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC=C(F)C1 ZINC001607084188 1164072932 /nfs/dbraw/zinc/07/29/32/1164072932.db2.gz USQHJPUZYJKADT-UHFFFAOYSA-N -1 3 290.258 1.838 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCO1 ZINC001607084496 1164073230 /nfs/dbraw/zinc/07/32/30/1164073230.db2.gz JANKVOKOKHZWCE-QMMMGPOBSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCCO1 ZINC001607084496 1164073235 /nfs/dbraw/zinc/07/32/35/1164073235.db2.gz JANKVOKOKHZWCE-QMMMGPOBSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCCCO1 ZINC001609601210 1164998071 /nfs/dbraw/zinc/99/80/71/1164998071.db2.gz ROIVXUFPYNMPRZ-UHFFFAOYSA-N -1 3 276.256 1.307 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCCCO1 ZINC001609601210 1164998081 /nfs/dbraw/zinc/99/80/81/1164998081.db2.gz ROIVXUFPYNMPRZ-UHFFFAOYSA-N -1 3 276.256 1.307 20 5 CDBDHM CC(C)(O)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589332994 1173139008 /nfs/dbraw/zinc/13/90/08/1173139008.db2.gz KDMCMMRSUQOPAS-UHFFFAOYSA-N -1 3 292.299 1.348 20 5 CDBDHM CC(C)(O)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589332994 1173139010 /nfs/dbraw/zinc/13/90/10/1173139010.db2.gz KDMCMMRSUQOPAS-UHFFFAOYSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1CCC1 ZINC001593472345 1174082982 /nfs/dbraw/zinc/08/29/82/1174082982.db2.gz ZMCJGJGUUSDZNQ-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1CCC1 ZINC001593472345 1174082984 /nfs/dbraw/zinc/08/29/84/1174082984.db2.gz ZMCJGJGUUSDZNQ-UHFFFAOYSA-N -1 3 275.272 1.382 20 5 CDBDHM C[C@@H](CO)[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603566689 1175566272 /nfs/dbraw/zinc/56/62/72/1175566272.db2.gz SZLXHRRKAOPTMM-JGVFFNPUSA-N -1 3 292.299 1.204 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NCC(F)F)c1-c1nnn[n-]1 ZINC001606451841 1163905849 /nfs/dbraw/zinc/90/58/49/1163905849.db2.gz PZYRPICYEIAGKJ-UHFFFAOYSA-N -1 3 285.214 1.034 20 5 CDBDHM Nc1c([N+](=O)[O-])ccc(NCC(F)F)c1-c1nn[n-]n1 ZINC001606451841 1163905851 /nfs/dbraw/zinc/90/58/51/1163905851.db2.gz PZYRPICYEIAGKJ-UHFFFAOYSA-N -1 3 285.214 1.034 20 5 CDBDHM C[C@@H](O)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001609788515 1165081820 /nfs/dbraw/zinc/08/18/20/1165081820.db2.gz KDIJHEOXOQUHLC-MWLCHTKSSA-N -1 3 294.307 1.496 20 5 CDBDHM CCc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nn1C ZINC000817770758 845633877 /nfs/dbraw/zinc/63/38/77/845633877.db2.gz JOCTVSJQHRQUPQ-UHFFFAOYSA-N -1 3 291.267 1.244 20 5 CDBDHM Cn1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC000790144914 847838609 /nfs/dbraw/zinc/83/86/09/847838609.db2.gz KYEKWWVEOBPAER-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM CC1(CC(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001093997920 910254108 /nfs/dbraw/zinc/25/41/08/910254108.db2.gz SSSHDEXBYZNELZ-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM Nc1cn[nH]c(=O)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814995 925876285 /nfs/dbraw/zinc/87/62/85/925876285.db2.gz RLVDVDFTVOQQDF-UHFFFAOYSA-N -1 3 263.213 1.122 20 5 CDBDHM O=[N+]([O-])c1cc(NCc2ncccc2[O-])cnc1F ZINC001169731057 928392872 /nfs/dbraw/zinc/39/28/72/928392872.db2.gz AXYSOEXEEGGASY-UHFFFAOYSA-N -1 3 264.216 1.842 20 5 CDBDHM CC(C)(CCC(=O)Nc1n[n-]c(-c2ccco2)n1)[N+](=O)[O-] ZINC000823059274 931242742 /nfs/dbraw/zinc/24/27/42/931242742.db2.gz NGPJHXGSBPYRSK-UHFFFAOYSA-N -1 3 293.283 1.839 20 5 CDBDHM Cc1ncc(Nc2ccc3ccc([N+](=O)[O-])cc3n2)c(=O)[n-]1 ZINC001162298804 938974041 /nfs/dbraw/zinc/97/40/41/938974041.db2.gz WNFZDHKCSQZDEJ-LBPRGKRZSA-N -1 3 297.274 1.953 20 5 CDBDHM Cc1nnc(=O)[n-]c1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226461215 942008115 /nfs/dbraw/zinc/00/81/15/942008115.db2.gz LKPAVCNRITWRSP-LLVKDONJSA-N -1 3 288.263 1.340 20 5 CDBDHM C[C@H]1C[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CCO1 ZINC001227691385 942205088 /nfs/dbraw/zinc/20/50/88/942205088.db2.gz NLHDYQDPNCRLHL-JGVFFNPUSA-N -1 3 278.268 1.812 20 5 CDBDHM Cc1ncc(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(=O)[n-]1 ZINC001254590354 947543765 /nfs/dbraw/zinc/54/37/65/947543765.db2.gz WEYNUDGPCXIOGV-DGCLKSJQSA-N -1 3 286.291 1.050 20 5 CDBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[S@]1=O ZINC001328024491 955166049 /nfs/dbraw/zinc/16/60/49/955166049.db2.gz RLRFEGMZOCMZNL-WPCRTTGESA-N -1 3 285.325 1.043 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001307155961 956372367 /nfs/dbraw/zinc/37/23/67/956372367.db2.gz BIICQWNBZHNJSR-SECBINFHSA-N -1 3 289.295 1.721 20 5 CDBDHM O=c1[n-]ccc(NCc2nnc(C3CC3)o2)c1[N+](=O)[O-] ZINC001330652412 956543128 /nfs/dbraw/zinc/54/31/28/956543128.db2.gz ITJQKBGJDJNGQC-UHFFFAOYSA-N -1 3 277.240 1.568 20 5 CDBDHM CN(CCNC(=O)C(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100084354 967381698 /nfs/dbraw/zinc/38/16/98/967381698.db2.gz BPAMMLGQITYBAV-UHFFFAOYSA-N -1 3 296.327 1.294 20 5 CDBDHM C[C@H]1COC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001604820122 1163339187 /nfs/dbraw/zinc/33/91/87/1163339187.db2.gz WPXWTTVZMRWHGC-KWQFWETISA-N -1 3 280.280 1.418 20 5 CDBDHM COC[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC001599177890 996885833 /nfs/dbraw/zinc/88/58/33/996885833.db2.gz UGNYZLOYSFTROB-LBPRGKRZSA-N -1 3 294.307 1.808 20 5 CDBDHM O=c1[n-]ccc(NCC2CCOCC2)c1[N+](=O)[O-] ZINC000596098816 343235505 /nfs/dbraw/zinc/23/55/05/343235505.db2.gz NQPYOLQYBFUYNP-UHFFFAOYSA-N -1 3 253.258 1.534 20 5 CDBDHM CCC(=O)N[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596096992 343235723 /nfs/dbraw/zinc/23/57/23/343235723.db2.gz BKXZLUWBYXNCLZ-SECBINFHSA-N -1 3 294.311 1.190 20 5 CDBDHM COCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596124640 343236533 /nfs/dbraw/zinc/23/65/33/343236533.db2.gz YJQGWDNQFXODQJ-UHFFFAOYSA-N -1 3 267.285 1.558 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000596156204 343247763 /nfs/dbraw/zinc/24/77/63/343247763.db2.gz GWCJOICCGRFZEY-WDEREUQCSA-N -1 3 295.295 1.080 20 5 CDBDHM COC(=O)CCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596165529 343257309 /nfs/dbraw/zinc/25/73/09/343257309.db2.gz UBJLVJYSEXLKEI-UHFFFAOYSA-N -1 3 272.282 1.741 20 5 CDBDHM O=c1[n-]ccc(SC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000596209942 343267584 /nfs/dbraw/zinc/26/75/84/343267584.db2.gz JYPCHWIJEQYWHY-SSDOTTSWSA-N -1 3 256.283 1.967 20 5 CDBDHM C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C ZINC000437002568 362251659 /nfs/dbraw/zinc/25/16/59/362251659.db2.gz SXHWOLABEFQKEQ-UWVGGRQHSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000542791192 362613139 /nfs/dbraw/zinc/61/31/39/362613139.db2.gz XJXOAGQENDCUKZ-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NCCN2CCCCC2)n1 ZINC000166719827 360234914 /nfs/dbraw/zinc/23/49/14/360234914.db2.gz UJAFZSIDPZKEQH-UHFFFAOYSA-N -1 3 294.311 1.586 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H](C)C(=O)[O-] ZINC000582127097 364070306 /nfs/dbraw/zinc/07/03/06/364070306.db2.gz IDURTOPYFTXBCR-RKDXNWHRSA-N -1 3 282.296 1.802 20 5 CDBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c([O-])c1 ZINC000180506203 373002248 /nfs/dbraw/zinc/00/22/48/373002248.db2.gz CLUONLXHJXIVDU-UHFFFAOYSA-N -1 3 288.263 1.838 20 5 CDBDHM CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000422034764 374345336 /nfs/dbraw/zinc/34/53/36/374345336.db2.gz JZDGEGIYQPUFKH-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)N(C)C ZINC000282108743 375065081 /nfs/dbraw/zinc/06/50/81/375065081.db2.gz WTABACILBCPANV-UHFFFAOYSA-N -1 3 289.313 1.212 20 5 CDBDHM O=C([N-]c1nnc2n1CCCC2)c1ccc([N+](=O)[O-])s1 ZINC000162797742 375516880 /nfs/dbraw/zinc/51/68/80/375516880.db2.gz NMTMMOAIBBYDDA-UHFFFAOYSA-N -1 3 293.308 1.836 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)C(=O)[O-] ZINC000054069942 376503133 /nfs/dbraw/zinc/50/31/33/376503133.db2.gz FZZUIOIMLLPTBS-QMMMGPOBSA-N -1 3 268.269 1.508 20 5 CDBDHM COc1cccc(C(=O)[N-]c2nocc2C)c1[N+](=O)[O-] ZINC000444335831 250123921 /nfs/dbraw/zinc/12/39/21/250123921.db2.gz BNAHQCRMHIFHCW-UHFFFAOYSA-N -1 3 277.236 1.574 20 5 CDBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1 ZINC000186782939 140068414 /nfs/dbraw/zinc/06/84/14/140068414.db2.gz FXOLISMHXTWRFP-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186748964 140068462 /nfs/dbraw/zinc/06/84/62/140068462.db2.gz TVVMFMDUMPODLX-UHFFFAOYSA-N -1 3 289.247 1.956 20 5 CDBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000330685021 287040345 /nfs/dbraw/zinc/04/03/45/287040345.db2.gz KXVAKSOMPIUIGC-NOZJJQNGSA-N -1 3 266.297 1.958 20 5 CDBDHM COc1ccc(CN[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000035389075 172171601 /nfs/dbraw/zinc/17/16/01/172171601.db2.gz FIFFIGGKODPEEB-SSDOTTSWSA-N -1 3 254.242 1.166 20 5 CDBDHM O=C([N-]c1nc2ccccn2n1)c1ccccc1[N+](=O)[O-] ZINC000132855629 279721228 /nfs/dbraw/zinc/72/12/28/279721228.db2.gz LEBUNMPFEPNRAM-UHFFFAOYSA-N -1 3 283.247 1.890 20 5 CDBDHM C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCCC1 ZINC000225795341 280097924 /nfs/dbraw/zinc/09/79/24/280097924.db2.gz KKQBXQAVQDVCTR-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM CN(C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000308687710 289080234 /nfs/dbraw/zinc/08/02/34/289080234.db2.gz GALJRKFOVZNBIO-UHFFFAOYSA-N -1 3 281.312 1.370 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000557569323 290353477 /nfs/dbraw/zinc/35/34/77/290353477.db2.gz GODMZRAKQXPGSW-QMMMGPOBSA-N -1 3 280.259 1.658 20 5 CDBDHM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC1 ZINC000570593873 294269570 /nfs/dbraw/zinc/26/95/70/294269570.db2.gz OGGWLNBKQLHRNJ-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM CN(CC1CC1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591053663 1173566406 /nfs/dbraw/zinc/56/64/06/1173566406.db2.gz QSOPRICCLOKXBT-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CN(CC1CC1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591053663 1173566415 /nfs/dbraw/zinc/56/64/15/1173566415.db2.gz QSOPRICCLOKXBT-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CS[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826225383 607733464 /nfs/dbraw/zinc/73/34/64/607733464.db2.gz ARFWBKHDLICGNQ-LURJTMIESA-N -1 3 295.328 1.333 20 5 CDBDHM CS[C@@H](C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826225383 607733465 /nfs/dbraw/zinc/73/34/65/607733465.db2.gz ARFWBKHDLICGNQ-LURJTMIESA-N -1 3 295.328 1.333 20 5 CDBDHM CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000820623773 606423339 /nfs/dbraw/zinc/42/33/39/606423339.db2.gz YDOOPHHPTRMNGT-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000820623773 606423341 /nfs/dbraw/zinc/42/33/41/606423341.db2.gz YDOOPHHPTRMNGT-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(C(F)F)C1 ZINC000823629752 607226117 /nfs/dbraw/zinc/22/61/17/607226117.db2.gz GOUFXCGULDWHLZ-UHFFFAOYSA-N -1 3 296.237 1.476 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(C(F)F)C1 ZINC000823629752 607226118 /nfs/dbraw/zinc/22/61/18/607226118.db2.gz GOUFXCGULDWHLZ-UHFFFAOYSA-N -1 3 296.237 1.476 20 5 CDBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cccnc1[N+](=O)[O-] ZINC000903409246 625984593 /nfs/dbraw/zinc/98/45/93/625984593.db2.gz SDRAWAAVVHHAGT-PSASIEDQSA-N -1 3 265.269 1.427 20 5 CDBDHM COc1ncc([N-]c2nc(C)ns2)cc1[N+](=O)[O-] ZINC001210135489 1158560407 /nfs/dbraw/zinc/56/04/07/1158560407.db2.gz UFHZOBPVOOOZHE-UHFFFAOYSA-N -1 3 267.270 1.902 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001607082826 1164070108 /nfs/dbraw/zinc/07/01/08/1164070108.db2.gz UPGOOHFJGZRRAF-BZBKMWRSSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001607082826 1164070114 /nfs/dbraw/zinc/07/01/14/1164070114.db2.gz UPGOOHFJGZRRAF-BZBKMWRSSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@@H]2C[C@H]3C[C@H]3C2)ccc1-c1nnn[n-]1 ZINC001607080317 1164070930 /nfs/dbraw/zinc/07/09/30/1164070930.db2.gz UFNZNMKKUHXXJS-DIYOJNKTSA-N -1 3 286.295 1.985 20 5 CDBDHM C[C@@H]1C[C@@H](C)N1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590191682 1173286351 /nfs/dbraw/zinc/28/63/51/1173286351.db2.gz RWZFKVOKCZXZCL-HTQZYQBOSA-N -1 3 274.284 1.762 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC(F)F ZINC001593476469 1174082312 /nfs/dbraw/zinc/08/23/12/1174082312.db2.gz WOXOTWKPBMLAEV-UHFFFAOYSA-N -1 3 270.199 1.452 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC(F)F ZINC001593476469 1174082316 /nfs/dbraw/zinc/08/23/16/1174082316.db2.gz WOXOTWKPBMLAEV-UHFFFAOYSA-N -1 3 270.199 1.452 20 5 CDBDHM C[C@@H]1COC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603946121 1175694447 /nfs/dbraw/zinc/69/44/47/1175694447.db2.gz GMZYMVAOUJGLLX-XCBNKYQSSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@@H]1COC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603946121 1175694450 /nfs/dbraw/zinc/69/44/50/1175694450.db2.gz GMZYMVAOUJGLLX-XCBNKYQSSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@H](OC(=O)c1cnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000805605204 697833086 /nfs/dbraw/zinc/83/30/86/697833086.db2.gz GNONGIUTWCNBRU-ZETCQYMHSA-N -1 3 262.225 1.631 20 5 CDBDHM C[C@H](OC(=O)c1c[n-]nn1)c1ccccc1[N+](=O)[O-] ZINC000805605204 697833087 /nfs/dbraw/zinc/83/30/87/697833087.db2.gz GNONGIUTWCNBRU-ZETCQYMHSA-N -1 3 262.225 1.631 20 5 CDBDHM O=c1[n-]ccc(NC2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC000715731621 849442471 /nfs/dbraw/zinc/44/24/71/849442471.db2.gz XIVAMMHNNRIIRF-UHFFFAOYSA-N -1 3 295.295 1.793 20 5 CDBDHM CC1(C)OC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000695452281 899461210 /nfs/dbraw/zinc/46/12/10/899461210.db2.gz ILPPTEGCKMDXBH-SSDOTTSWSA-N -1 3 269.257 1.259 20 5 CDBDHM CC(C)(C)CC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093523170 909901517 /nfs/dbraw/zinc/90/15/17/909901517.db2.gz JWKQBVQCZNDSPP-UHFFFAOYSA-N -1 3 296.327 1.660 20 5 CDBDHM O=C(CC1CCC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093573732 909976424 /nfs/dbraw/zinc/97/64/24/909976424.db2.gz WGJYYOOBWDUUMG-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM C[C@@H](N)c1ccn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001169234654 927850448 /nfs/dbraw/zinc/85/04/48/927850448.db2.gz JJAKQLKPAQIJNL-SSDOTTSWSA-N -1 3 276.252 1.498 20 5 CDBDHM O=C([O-])[C@@H](CC(F)F)NCc1csc([N+](=O)[O-])c1 ZINC001119601436 937737492 /nfs/dbraw/zinc/73/74/92/937737492.db2.gz DMRIFQBLIVBYPX-ZCFIWIBFSA-N -1 3 280.252 1.854 20 5 CDBDHM Cc1cc2[n-]c(O[C@@H]3CNCC3(F)F)nc2cc1[N+](=O)[O-] ZINC001218233924 941047201 /nfs/dbraw/zinc/04/72/01/941047201.db2.gz AZBWOUHXZCFFST-SNVBAGLBSA-N -1 3 298.249 1.765 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc[n-]c(=O)c1C ZINC001226076558 941949348 /nfs/dbraw/zinc/94/93/48/941949348.db2.gz MOZOHHOBBLSGKW-SSDOTTSWSA-N -1 3 293.283 1.371 20 5 CDBDHM CC1(C)COC(=O)[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693209 942205855 /nfs/dbraw/zinc/20/58/55/942205855.db2.gz ONXDFHLBWRTDRD-SECBINFHSA-N -1 3 292.251 1.197 20 5 CDBDHM C[C@H]1OCC[C@H]1COc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693880 942207081 /nfs/dbraw/zinc/20/70/81/942207081.db2.gz ZDOCLGFJWNYWQN-SFYZADRCSA-N -1 3 278.268 1.670 20 5 CDBDHM COC(=O)C[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744620 942216791 /nfs/dbraw/zinc/21/67/91/942216791.db2.gz HDIASYGNGMKGCD-SSDOTTSWSA-N -1 3 279.252 1.802 20 5 CDBDHM COC(=O)C[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744620 942216795 /nfs/dbraw/zinc/21/67/95/942216795.db2.gz HDIASYGNGMKGCD-SSDOTTSWSA-N -1 3 279.252 1.802 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCc3nccn3C2)c1 ZINC001229395406 942463763 /nfs/dbraw/zinc/46/37/63/942463763.db2.gz ICOXOJATBGWJMG-SNVBAGLBSA-N -1 3 275.264 1.891 20 5 CDBDHM Cn1c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1C1CC1 ZINC001261654598 946218345 /nfs/dbraw/zinc/21/83/45/946218345.db2.gz WJDOTWLESDMGIE-UHFFFAOYSA-N -1 3 290.283 1.313 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001307155962 956373405 /nfs/dbraw/zinc/37/34/05/956373405.db2.gz BIICQWNBZHNJSR-VIFPVBQESA-N -1 3 289.295 1.721 20 5 CDBDHM COCCN(C)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211433184 959685646 /nfs/dbraw/zinc/68/56/46/959685646.db2.gz PUOXFTWZSMBTSJ-UHFFFAOYSA-N -1 3 297.311 1.283 20 5 CDBDHM COc1c(O)ccc(CN(C)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001604679844 973869647 /nfs/dbraw/zinc/86/96/47/973869647.db2.gz FHCSCTLNTMXQLN-QMMMGPOBSA-N -1 3 298.295 1.462 20 5 CDBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC1 ZINC001605442002 1163565335 /nfs/dbraw/zinc/56/53/35/1163565335.db2.gz XFQWWDNOURUWDP-ZETCQYMHSA-N -1 3 274.284 1.985 20 5 CDBDHM CN1CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162357353 342073166 /nfs/dbraw/zinc/07/31/66/342073166.db2.gz UAFORTRMUGOOIO-UHFFFAOYSA-N -1 3 280.284 1.194 20 5 CDBDHM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000092924874 342265568 /nfs/dbraw/zinc/26/55/68/342265568.db2.gz WHWAFTYJVLTYQR-BXKDBHETSA-N -1 3 264.281 1.890 20 5 CDBDHM CCCNC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596085330 343220867 /nfs/dbraw/zinc/22/08/67/343220867.db2.gz SMCNOEVXKGDZAP-UHFFFAOYSA-N -1 3 268.273 1.024 20 5 CDBDHM C[C@H](Cn1ccnc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596079540 343227213 /nfs/dbraw/zinc/22/72/13/343227213.db2.gz RVXZKIDNEWTJGZ-MRVPVSSYSA-N -1 3 263.257 1.393 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)O1 ZINC000596089288 343234050 /nfs/dbraw/zinc/23/40/50/343234050.db2.gz FMWHQMGUWMEFEP-MRVPVSSYSA-N -1 3 267.285 1.699 20 5 CDBDHM O=c1[n-]ccc(N[C@H]2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000596182006 343250374 /nfs/dbraw/zinc/25/03/74/343250374.db2.gz JOESZRZECVANBM-TVQRCGJNSA-N -1 3 295.295 1.445 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000596182004 343250408 /nfs/dbraw/zinc/25/04/08/343250408.db2.gz JOESZRZECVANBM-NOZJJQNGSA-N -1 3 295.295 1.445 20 5 CDBDHM C[C@H]1CCC[C@]1(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596247282 343286689 /nfs/dbraw/zinc/28/66/89/343286689.db2.gz MPGYSKPLNRIEFN-UFBFGSQYSA-N -1 3 267.285 1.658 20 5 CDBDHM C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C ZINC000436965735 362160265 /nfs/dbraw/zinc/16/02/65/362160265.db2.gz KDQXFQJGOMHFMV-VHSXEESVSA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1nn(C)c(C(=O)Nc2c(C)cccc2[O-])c1[N+](=O)[O-] ZINC000436947346 362148062 /nfs/dbraw/zinc/14/80/62/362148062.db2.gz DKEVFLVIUJNNRT-UHFFFAOYSA-N -1 3 290.279 1.903 20 5 CDBDHM CS[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596249593 343274123 /nfs/dbraw/zinc/27/41/23/343274123.db2.gz JXKAAXQMDUUPDR-SSDOTTSWSA-N -1 3 255.299 1.637 20 5 CDBDHM Cc1cc(SCCc2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000603398842 344799033 /nfs/dbraw/zinc/79/90/33/344799033.db2.gz WZLAPGVYAJWELW-UHFFFAOYSA-N -1 3 265.298 1.751 20 5 CDBDHM Cc1cc(SCCc2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000603398842 344799036 /nfs/dbraw/zinc/79/90/36/344799036.db2.gz WZLAPGVYAJWELW-UHFFFAOYSA-N -1 3 265.298 1.751 20 5 CDBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1ncccc1[O-] ZINC000028869261 345344078 /nfs/dbraw/zinc/34/40/78/345344078.db2.gz MXNNEZRGYXPOHL-UHFFFAOYSA-N -1 3 289.247 1.713 20 5 CDBDHM Cc1nn(Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000413001699 363080334 /nfs/dbraw/zinc/08/03/34/363080334.db2.gz MGYJBLNHMKZJSM-UHFFFAOYSA-N -1 3 275.268 1.521 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000578368612 356553929 /nfs/dbraw/zinc/55/39/29/356553929.db2.gz YHIKHTZKXYELIC-SECBINFHSA-N -1 3 282.296 1.756 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436525299 358760860 /nfs/dbraw/zinc/76/08/60/358760860.db2.gz ASMZDDUQHAOCAE-UHFFFAOYSA-N -1 3 296.670 1.940 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000339084912 359285869 /nfs/dbraw/zinc/28/58/69/359285869.db2.gz RXLXWTBYDKBION-MRCXROJRSA-N -1 3 278.308 1.503 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000297197507 200111877 /nfs/dbraw/zinc/11/18/77/200111877.db2.gz MGRNXNVSEBYZSQ-UHFFFAOYSA-N -1 3 260.271 1.089 20 5 CDBDHM CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21 ZINC000408461716 359803755 /nfs/dbraw/zinc/80/37/55/359803755.db2.gz BBYCPHRZNCYWPH-PWSUYJOCSA-N -1 3 291.307 1.077 20 5 CDBDHM CC(=O)[N-]O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000180807257 189276579 /nfs/dbraw/zinc/27/65/79/189276579.db2.gz VXSBWZYJOIKRIP-QMMMGPOBSA-N -1 3 281.268 1.298 20 5 CDBDHM Cc1nn(C)c(C(=O)Nc2ccc(C)cc2[O-])c1[N+](=O)[O-] ZINC000193917661 372067411 /nfs/dbraw/zinc/06/74/11/372067411.db2.gz IPEKEYMIFUNXAD-UHFFFAOYSA-N -1 3 290.279 1.903 20 5 CDBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCF)cc1[N+](=O)[O-] ZINC000280795888 375023551 /nfs/dbraw/zinc/02/35/51/375023551.db2.gz RHNYRKUOSZDSJJ-UHFFFAOYSA-N -1 3 296.707 1.804 20 5 CDBDHM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000293849434 375133811 /nfs/dbraw/zinc/13/38/11/375133811.db2.gz UVGBMTYHIYJZKP-UHFFFAOYSA-N -1 3 250.254 1.595 20 5 CDBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c[n-]nn1 ZINC000351628166 375313922 /nfs/dbraw/zinc/31/39/22/375313922.db2.gz LQEWYXIFQPTKTC-UHFFFAOYSA-N -1 3 295.686 1.339 20 5 CDBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn[n-]1 ZINC000351628166 375313931 /nfs/dbraw/zinc/31/39/31/375313931.db2.gz LQEWYXIFQPTKTC-UHFFFAOYSA-N -1 3 295.686 1.339 20 5 CDBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cn[n-]n1 ZINC000351628166 375313937 /nfs/dbraw/zinc/31/39/37/375313937.db2.gz LQEWYXIFQPTKTC-UHFFFAOYSA-N -1 3 295.686 1.339 20 5 CDBDHM CCc1[nH]nc(C(=O)[N-]c2nc(C)cs2)c1[N+](=O)[O-] ZINC000171371875 376545070 /nfs/dbraw/zinc/54/50/70/376545070.db2.gz YDHZDKNDCYZLLA-UHFFFAOYSA-N -1 3 281.297 1.898 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000525704044 390941886 /nfs/dbraw/zinc/94/18/86/390941886.db2.gz WUOOUCHPSLFPMO-VIFPVBQESA-N -1 3 277.284 1.222 20 5 CDBDHM O=C([N-]c1cc(Cl)ccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000131221829 393197499 /nfs/dbraw/zinc/19/74/99/393197499.db2.gz UUYKSZACWKFPNY-UHFFFAOYSA-N -1 3 267.632 1.619 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C(=O)[O-] ZINC000262658058 149091708 /nfs/dbraw/zinc/09/17/08/149091708.db2.gz MYHFOWNNTRHUSQ-SECBINFHSA-N -1 3 282.296 1.898 20 5 CDBDHM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC1 ZINC000063733126 279197057 /nfs/dbraw/zinc/19/70/57/279197057.db2.gz MGVIRBYISVIHFZ-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)[n-]c(=O)n1 ZINC000531645041 281814578 /nfs/dbraw/zinc/81/45/78/281814578.db2.gz PLINGMTYPRVVRE-UHFFFAOYSA-N -1 3 288.263 1.329 20 5 CDBDHM COc1nnc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000158176255 289303009 /nfs/dbraw/zinc/30/30/09/289303009.db2.gz ORDHUMDFLLLHFA-VOTSOKGWSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1nc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000158176255 289303010 /nfs/dbraw/zinc/30/30/10/289303010.db2.gz ORDHUMDFLLLHFA-VOTSOKGWSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1n[n-]c(NC(=O)C=Cc2ccccc2[N+](=O)[O-])n1 ZINC000158176255 289303011 /nfs/dbraw/zinc/30/30/11/289303011.db2.gz ORDHUMDFLLLHFA-VOTSOKGWSA-N -1 3 289.251 1.373 20 5 CDBDHM CN(C)[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164496316 289372908 /nfs/dbraw/zinc/37/29/08/289372908.db2.gz HZOYEXBHBGUMOQ-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM Nc1c(C(=O)N=c2cc3ccccn3[n-]2)cccc1[N+](=O)[O-] ZINC000552993276 290088963 /nfs/dbraw/zinc/08/89/63/290088963.db2.gz ULIDXWBYOMDDOX-UHFFFAOYSA-N -1 3 297.274 1.499 20 5 CDBDHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121417243 300608243 /nfs/dbraw/zinc/60/82/43/300608243.db2.gz YHZAXPYTJNUJBR-BDAKNGLRSA-N -1 3 286.309 1.051 20 5 CDBDHM CN1CCC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000183589795 323342342 /nfs/dbraw/zinc/34/23/42/323342342.db2.gz AVQPXBJDVHDULO-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM CN[C@@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583094486 325106980 /nfs/dbraw/zinc/10/69/80/325106980.db2.gz VPPRBNBGGYLRBK-YFKPBYRVSA-N -1 3 273.676 1.500 20 5 CDBDHM CCCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232984132 534901199 /nfs/dbraw/zinc/90/11/99/534901199.db2.gz FZYBMOXMJCZFEZ-SECBINFHSA-N -1 3 267.285 1.756 20 5 CDBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000824961703 607842774 /nfs/dbraw/zinc/84/27/74/607842774.db2.gz GVAIDKAREFBRRC-QMMMGPOBSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@H]1OCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825019813 608148333 /nfs/dbraw/zinc/14/83/33/608148333.db2.gz HDEUQRMTUBQPFT-APPZFPTMSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1OCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825019813 608148335 /nfs/dbraw/zinc/14/83/35/608148335.db2.gz HDEUQRMTUBQPFT-APPZFPTMSA-N -1 3 290.283 1.364 20 5 CDBDHM COc1c([O-])ccc(CN2CCO[C@H](OC)C2)c1[N+](=O)[O-] ZINC000895961761 619917664 /nfs/dbraw/zinc/91/76/64/619917664.db2.gz DDMXSEWQJQBTDE-NSHDSACASA-N -1 3 298.295 1.114 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605152402 1163469004 /nfs/dbraw/zinc/46/90/04/1163469004.db2.gz GPZGMPHGOFSXGD-PWSUYJOCSA-N -1 3 290.283 1.364 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605152402 1163469006 /nfs/dbraw/zinc/46/90/06/1163469006.db2.gz GPZGMPHGOFSXGD-PWSUYJOCSA-N -1 3 290.283 1.364 20 5 CDBDHM Cc1ccc(Cn2cc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC001605861718 1163694503 /nfs/dbraw/zinc/69/45/03/1163694503.db2.gz WMHMJRUCNDYFOU-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1ccc(Cn2cc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC001605861718 1163694505 /nfs/dbraw/zinc/69/45/05/1163694505.db2.gz WMHMJRUCNDYFOU-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncc([N+](=O)[O-])cn1 ZINC001609388677 1164923196 /nfs/dbraw/zinc/92/31/96/1164923196.db2.gz CPWXLORTHDQBGC-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM C[C@@H]1C[C@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590222993 1173304305 /nfs/dbraw/zinc/30/43/05/1173304305.db2.gz YJGDKHLUKDGBCN-SFYZADRCSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@@H]1C[C@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590222993 1173304313 /nfs/dbraw/zinc/30/43/13/1173304313.db2.gz YJGDKHLUKDGBCN-SFYZADRCSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001590317265 1173352113 /nfs/dbraw/zinc/35/21/13/1173352113.db2.gz WMTNFZNZKHYEGS-YUMQZZPRSA-N -1 3 289.299 1.262 20 5 CDBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001590317265 1173352120 /nfs/dbraw/zinc/35/21/20/1173352120.db2.gz WMTNFZNZKHYEGS-YUMQZZPRSA-N -1 3 289.299 1.262 20 5 CDBDHM CCC1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590521188 1173449590 /nfs/dbraw/zinc/44/95/90/1173449590.db2.gz LEONRTWTTVWSIP-UHFFFAOYSA-N -1 3 289.299 1.203 20 5 CDBDHM CCC1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590521188 1173449593 /nfs/dbraw/zinc/44/95/93/1173449593.db2.gz LEONRTWTTVWSIP-UHFFFAOYSA-N -1 3 289.299 1.203 20 5 CDBDHM O=[N+]([O-])c1cc(NC2CC=CC2)ccc1-c1nnn[n-]1 ZINC001593474111 1174081126 /nfs/dbraw/zinc/08/11/26/1174081126.db2.gz PJHLALQNBOWZPR-UHFFFAOYSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H](CF)C1 ZINC001593481648 1174083642 /nfs/dbraw/zinc/08/36/42/1174083642.db2.gz TWIRZKIPDUUJJM-QMMMGPOBSA-N -1 3 292.274 1.571 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H](CF)C1 ZINC001593481648 1174083650 /nfs/dbraw/zinc/08/36/50/1174083650.db2.gz TWIRZKIPDUUJJM-QMMMGPOBSA-N -1 3 292.274 1.571 20 5 CDBDHM O=C([N-]O[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865080166 710493635 /nfs/dbraw/zinc/49/36/35/710493635.db2.gz KMTJHSOFFLQIGE-JTQLQIEISA-N -1 3 284.243 1.922 20 5 CDBDHM CC(COC(=O)Cc1cccc(C(=O)[O-])c1)[N+](=O)[O-] ZINC001609754176 1165069299 /nfs/dbraw/zinc/06/92/99/1165069299.db2.gz SKFWTPLVYLUPSM-QMMMGPOBSA-N -1 3 267.237 1.136 20 5 CDBDHM O=C([O-])C[C@]1(NCc2ccccc2[N+](=O)[O-])CCCOC1 ZINC001610759470 1165431551 /nfs/dbraw/zinc/43/15/51/1165431551.db2.gz RLHQEFSJAPQTNS-CQSZACIVSA-N -1 3 294.307 1.708 20 5 CDBDHM Cc1ncc(Nc2ncc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297761 922194074 /nfs/dbraw/zinc/19/40/74/922194074.db2.gz IHPSGUVAUPHWHP-ZETCQYMHSA-N -1 3 281.659 1.453 20 5 CDBDHM Cc1noc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C(N)=O ZINC001199802468 925867694 /nfs/dbraw/zinc/86/76/94/925867694.db2.gz QRNLAFXOQZMIHJ-UHFFFAOYSA-N -1 3 278.224 1.439 20 5 CDBDHM NC(=O)c1cncc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199814989 925876079 /nfs/dbraw/zinc/87/60/79/925876079.db2.gz RGBGIJNUWVDBPN-UHFFFAOYSA-N -1 3 274.236 1.538 20 5 CDBDHM O=C(C=Cc1cncc([O-])c1)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155042470 926448670 /nfs/dbraw/zinc/44/86/70/926448670.db2.gz AANIGUPSGXAFOD-UPHRSURJSA-N -1 3 275.224 1.070 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H](O)c2cccc(F)c2)c1[N+](=O)[O-] ZINC001162303057 938975757 /nfs/dbraw/zinc/97/57/57/938975757.db2.gz IHGZBQSCLRZYJY-LLVKDONJSA-N -1 3 293.254 1.980 20 5 CDBDHM CC(=O)N1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225659947 941895211 /nfs/dbraw/zinc/89/52/11/941895211.db2.gz ASKWDNKEBKVPGE-UHFFFAOYSA-N -1 3 281.268 1.085 20 5 CDBDHM COC(=O)C1CC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741614 942216358 /nfs/dbraw/zinc/21/63/58/942216358.db2.gz OZBGVZMFEPJYTM-UHFFFAOYSA-N -1 3 291.263 1.802 20 5 CDBDHM COC(=O)C1CC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741614 942216363 /nfs/dbraw/zinc/21/63/63/942216363.db2.gz OZBGVZMFEPJYTM-UHFFFAOYSA-N -1 3 291.263 1.802 20 5 CDBDHM COc1c([O-])ccc(CN2CC(F)(F)C2)c1[N+](=O)[O-] ZINC001308987719 956612447 /nfs/dbraw/zinc/61/24/47/956612447.db2.gz MSRJBZBEOZAZMJ-UHFFFAOYSA-N -1 3 274.223 1.760 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1CNCCOCC(=O)[O-] ZINC001605223614 972971356 /nfs/dbraw/zinc/97/13/56/972971356.db2.gz HNAZMEORHQEWKK-UHFFFAOYSA-N -1 3 268.269 1.094 20 5 CDBDHM CCOCCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604429398 1163185517 /nfs/dbraw/zinc/18/55/17/1163185517.db2.gz PPQCLPNCCQWQJV-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM CCOCCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604429398 1163185523 /nfs/dbraw/zinc/18/55/23/1163185523.db2.gz PPQCLPNCCQWQJV-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM CSc1nnc(NC(=O)c2cc([N+](=O)[O-])cn2C)[n-]1 ZINC000609170442 342092886 /nfs/dbraw/zinc/09/28/86/342092886.db2.gz SPIUUVJAADGTQZ-UHFFFAOYSA-N -1 3 282.285 1.026 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000609170442 342092887 /nfs/dbraw/zinc/09/28/87/342092887.db2.gz SPIUUVJAADGTQZ-UHFFFAOYSA-N -1 3 282.285 1.026 20 5 CDBDHM CSc1nc(NC(=O)c2cc([N+](=O)[O-])cn2C)n[n-]1 ZINC000609170442 342092888 /nfs/dbraw/zinc/09/28/88/342092888.db2.gz SPIUUVJAADGTQZ-UHFFFAOYSA-N -1 3 282.285 1.026 20 5 CDBDHM COc1cc(CNCCCC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000592423851 342689962 /nfs/dbraw/zinc/68/99/62/342689962.db2.gz QBFJMKCDVJPTMG-UHFFFAOYSA-N -1 3 298.295 1.566 20 5 CDBDHM CNC(C)(C)c1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653442 342934174 /nfs/dbraw/zinc/93/41/74/342934174.db2.gz URXUXJQRNNUFCY-UHFFFAOYSA-N -1 3 277.284 1.336 20 5 CDBDHM Cc1n[nH]cc1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596069419 343224922 /nfs/dbraw/zinc/22/49/22/343224922.db2.gz GNFFEGPSEMNEHR-UHFFFAOYSA-N -1 3 277.284 1.772 20 5 CDBDHM Cc1cc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC000596076305 343226497 /nfs/dbraw/zinc/22/64/97/343226497.db2.gz NPCOGQWWUDLEPR-UHFFFAOYSA-N -1 3 264.241 1.628 20 5 CDBDHM NC(=O)CC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596103100 343227873 /nfs/dbraw/zinc/22/78/73/343227873.db2.gz CUVRBNXAKYYOLF-VIFPVBQESA-N -1 3 294.311 1.177 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](c3ncc[nH]3)C2)c1[N+](=O)[O-] ZINC000596107412 343229050 /nfs/dbraw/zinc/22/90/50/343229050.db2.gz IBVHTGOEIHIEPX-VIFPVBQESA-N -1 3 289.295 1.803 20 5 CDBDHM COC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596126218 343237257 /nfs/dbraw/zinc/23/72/57/343237257.db2.gz JZNXDRBXVZVIQT-SECBINFHSA-N -1 3 267.285 1.558 20 5 CDBDHM CC(C)c1nnc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1C ZINC000596183141 343250682 /nfs/dbraw/zinc/25/06/82/343250682.db2.gz JASFFWJHUUOZBM-UHFFFAOYSA-N -1 3 292.299 1.559 20 5 CDBDHM CN(CC(=O)OC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596187250 343252139 /nfs/dbraw/zinc/25/21/39/343252139.db2.gz XIAHDVGTWWISQU-UHFFFAOYSA-N -1 3 283.284 1.473 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000596172635 343259870 /nfs/dbraw/zinc/25/98/70/343259870.db2.gz WHWGTYRLHHTVLX-ZJUUUORDSA-N -1 3 279.296 1.558 20 5 CDBDHM Cc1ccc(SCCc2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000603398319 344798791 /nfs/dbraw/zinc/79/87/91/344798791.db2.gz SIKAFTPWBASNCA-UHFFFAOYSA-N -1 3 265.298 1.751 20 5 CDBDHM Cc1ccc(SCCc2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000603398319 344798792 /nfs/dbraw/zinc/79/87/92/344798792.db2.gz SIKAFTPWBASNCA-UHFFFAOYSA-N -1 3 265.298 1.751 20 5 CDBDHM COc1cc(CNC[C@H](OC)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000292928225 362518668 /nfs/dbraw/zinc/51/86/68/362518668.db2.gz GRBOJXZTDVILFZ-AWEZNQCLSA-N -1 3 296.323 1.824 20 5 CDBDHM COc1cc(CNC[C@@H](OC)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000292928229 362519555 /nfs/dbraw/zinc/51/95/55/362519555.db2.gz GRBOJXZTDVILFZ-CQSZACIVSA-N -1 3 296.323 1.824 20 5 CDBDHM CCN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611271118 346731635 /nfs/dbraw/zinc/73/16/35/346731635.db2.gz GQTSYXUOJSIASI-NSHDSACASA-N -1 3 279.340 1.826 20 5 CDBDHM Cc1cc([N-]C(=O)[C@H](C)Oc2cccnc2[N+](=O)[O-])on1 ZINC000014131967 348519405 /nfs/dbraw/zinc/51/94/05/348519405.db2.gz NWMGBRGDWVQVPB-QMMMGPOBSA-N -1 3 292.251 1.692 20 5 CDBDHM CC/C=C\C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000208436002 350793599 /nfs/dbraw/zinc/79/35/99/350793599.db2.gz XVHXXMCFFFGCOY-UTCJRWHESA-N -1 3 270.310 1.839 20 5 CDBDHM COCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047543678 356524594 /nfs/dbraw/zinc/52/45/94/356524594.db2.gz ZMKLLSUSXJWYCO-UHFFFAOYSA-N -1 3 294.716 1.173 20 5 CDBDHM CCc1coc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000584458069 357707703 /nfs/dbraw/zinc/70/77/03/357707703.db2.gz LMFUWENCXXLQIY-UHFFFAOYSA-N -1 3 251.202 1.121 20 5 CDBDHM C[C@H](CN(C)c1ccccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000095154305 358679137 /nfs/dbraw/zinc/67/91/37/358679137.db2.gz MPISDFXUSBYDLK-MRVPVSSYSA-N -1 3 262.273 1.348 20 5 CDBDHM C[C@H](CN(C)c1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000095154305 358679139 /nfs/dbraw/zinc/67/91/39/358679139.db2.gz MPISDFXUSBYDLK-MRVPVSSYSA-N -1 3 262.273 1.348 20 5 CDBDHM CSCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000235036819 359705666 /nfs/dbraw/zinc/70/56/66/359705666.db2.gz AZWUDLUEEWDIMM-QMMMGPOBSA-N -1 3 285.325 1.319 20 5 CDBDHM COc1cncc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000348006576 360057548 /nfs/dbraw/zinc/05/75/48/360057548.db2.gz LAXDHJMFRPTPSO-UHFFFAOYSA-N -1 3 292.226 1.785 20 5 CDBDHM C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000581924841 364057831 /nfs/dbraw/zinc/05/78/31/364057831.db2.gz NTOXZWAZEAMLJQ-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]CC(F)F ZINC000175200699 364644370 /nfs/dbraw/zinc/64/43/70/364644370.db2.gz CPMVOKHRVICSFL-UHFFFAOYSA-N -1 3 294.279 1.755 20 5 CDBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-] ZINC000193390456 370040646 /nfs/dbraw/zinc/04/06/46/370040646.db2.gz INYJHKAUZBPPGM-UHFFFAOYSA-N -1 3 288.259 1.936 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)CCC(C)(C)[N+](=O)[O-])n1 ZINC000295642625 370538033 /nfs/dbraw/zinc/53/80/33/370538033.db2.gz DUQPUHROYDGWLS-UHFFFAOYSA-N -1 3 267.285 1.870 20 5 CDBDHM CN1CC=C(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000392190699 375040398 /nfs/dbraw/zinc/04/03/98/375040398.db2.gz AIDANXVWNBZOPP-UHFFFAOYSA-N -1 3 291.307 1.967 20 5 CDBDHM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)N2CCC2)c1 ZINC000350867423 375251082 /nfs/dbraw/zinc/25/10/82/375251082.db2.gz GURKSMRVRRPWQU-UHFFFAOYSA-N -1 3 275.261 1.096 20 5 CDBDHM Cc1c(CNC(=O)c2csc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000352078647 375351790 /nfs/dbraw/zinc/35/17/90/375351790.db2.gz ZXLDNFUIASMOES-UHFFFAOYSA-N -1 3 293.304 1.995 20 5 CDBDHM C[C@H](O)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228068619 375683704 /nfs/dbraw/zinc/68/37/04/375683704.db2.gz LSDHWPDBKLXHOB-VIFPVBQESA-N -1 3 288.325 1.034 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000356193174 375828058 /nfs/dbraw/zinc/82/80/58/375828058.db2.gz USZCUKFQVLHILB-UHFFFAOYSA-N -1 3 279.231 1.598 20 5 CDBDHM CCCN(CCN(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444961475 250201131 /nfs/dbraw/zinc/20/11/31/250201131.db2.gz RYBZJZPDRSCVHS-UHFFFAOYSA-N -1 3 296.327 1.109 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000278794241 194157650 /nfs/dbraw/zinc/15/76/50/194157650.db2.gz YSHGHRONDHGXLE-UHFFFAOYSA-N -1 3 272.232 1.166 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000279207985 194332474 /nfs/dbraw/zinc/33/24/74/194332474.db2.gz NNNVBKGQXMNNDB-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC000276348596 533214198 /nfs/dbraw/zinc/21/41/98/533214198.db2.gz WJEDJJQZCJKIRW-SECBINFHSA-N -1 3 296.279 1.301 20 5 CDBDHM Cc1cnccc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000107357119 391222999 /nfs/dbraw/zinc/22/29/99/391222999.db2.gz IGRVZZJTMRFEDW-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM COc1cc(CNC[C@@H](O)C2CCC2)c([N+](=O)[O-])cc1[O-] ZINC000449739415 393139917 /nfs/dbraw/zinc/13/99/17/393139917.db2.gz KULCKDXWOQTFLB-CYBMUJFWSA-N -1 3 296.323 1.560 20 5 CDBDHM C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCN1 ZINC000235708673 140237006 /nfs/dbraw/zinc/23/70/06/140237006.db2.gz LTGPAUUIYOUCOI-CYBMUJFWSA-N -1 3 279.296 1.771 20 5 CDBDHM COC[C@](C)(NCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000328568995 149268705 /nfs/dbraw/zinc/26/87/05/149268705.db2.gz PZBHCLUGOJEZAO-ZDUSSCGKSA-N -1 3 298.295 1.183 20 5 CDBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000330685022 287040276 /nfs/dbraw/zinc/04/02/76/287040276.db2.gz KXVAKSOMPIUIGC-RNCFNFMXSA-N -1 3 266.297 1.958 20 5 CDBDHM O=c1cc(CSc2ccc([N+](=O)[O-])cn2)occ1[O-] ZINC000160302066 292783209 /nfs/dbraw/zinc/78/32/09/292783209.db2.gz BZNJHUUTMDAJOY-UHFFFAOYSA-N -1 3 280.261 1.941 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc([N+](=O)[O-])cc1F ZINC000563304971 293338602 /nfs/dbraw/zinc/33/86/02/293338602.db2.gz VNPHSZJRFDONGZ-QMMMGPOBSA-N -1 3 281.247 1.053 20 5 CDBDHM CO[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591322923 1173610188 /nfs/dbraw/zinc/61/01/88/1173610188.db2.gz GGDVNRBFFBGUFC-QMMMGPOBSA-N -1 3 292.299 1.246 20 5 CDBDHM CO[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591322923 1173610191 /nfs/dbraw/zinc/61/01/91/1173610191.db2.gz GGDVNRBFFBGUFC-QMMMGPOBSA-N -1 3 292.299 1.246 20 5 CDBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ncccc21 ZINC000770654479 575481872 /nfs/dbraw/zinc/48/18/72/575481872.db2.gz HITCLORWMVZTGH-UHFFFAOYSA-N -1 3 286.247 1.293 20 5 CDBDHM CO[C@H](C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736960232 575777895 /nfs/dbraw/zinc/77/78/95/575777895.db2.gz GNQZWFWQEQURHL-SSDOTTSWSA-N -1 3 293.287 1.007 20 5 CDBDHM CO[C@H](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736960232 575777897 /nfs/dbraw/zinc/77/78/97/575777897.db2.gz GNQZWFWQEQURHL-SSDOTTSWSA-N -1 3 293.287 1.007 20 5 CDBDHM O=[N+]([O-])c1cnc(N2C[C@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000738369169 576063531 /nfs/dbraw/zinc/06/35/31/576063531.db2.gz IWRRAFYMXHEACF-XCBNKYQSSA-N -1 3 287.283 1.159 20 5 CDBDHM O=[N+]([O-])c1cnc(N2C[C@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000738369169 576063533 /nfs/dbraw/zinc/06/35/33/576063533.db2.gz IWRRAFYMXHEACF-XCBNKYQSSA-N -1 3 287.283 1.159 20 5 CDBDHM O=C([N-]c1cccc2c1COC2=O)c1n[nH]cc1[N+](=O)[O-] ZINC000752855269 577130855 /nfs/dbraw/zinc/13/08/55/577130855.db2.gz DCSLYAHIDAEUAQ-UHFFFAOYSA-N -1 3 288.219 1.241 20 5 CDBDHM Cc1cn(Cc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000822384753 607331159 /nfs/dbraw/zinc/33/11/59/607331159.db2.gz RQCFHPOLUXZOOW-UHFFFAOYSA-N -1 3 284.279 1.933 20 5 CDBDHM Cc1cn(Cc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000822384753 607331160 /nfs/dbraw/zinc/33/11/60/607331160.db2.gz RQCFHPOLUXZOOW-UHFFFAOYSA-N -1 3 284.279 1.933 20 5 CDBDHM O=[N+]([O-])c1cc(N2CCCCC2)ccc1-c1nnn[n-]1 ZINC000823634907 607345558 /nfs/dbraw/zinc/34/55/58/607345558.db2.gz NVXAZYFKFPKDGD-UHFFFAOYSA-N -1 3 274.284 1.765 20 5 CDBDHM CCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825033976 607524189 /nfs/dbraw/zinc/52/41/89/607524189.db2.gz BNQYOLGZWHCYDE-UHFFFAOYSA-N -1 3 296.674 1.777 20 5 CDBDHM CCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825033976 607524191 /nfs/dbraw/zinc/52/41/91/607524191.db2.gz BNQYOLGZWHCYDE-UHFFFAOYSA-N -1 3 296.674 1.777 20 5 CDBDHM COc1c([O-])ccc(CN(C2CC2)C2COC2)c1[N+](=O)[O-] ZINC000894658577 619006532 /nfs/dbraw/zinc/00/65/32/619006532.db2.gz IHWLSYLEKXNWKD-UHFFFAOYSA-N -1 3 294.307 1.672 20 5 CDBDHM C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000903600543 626031062 /nfs/dbraw/zinc/03/10/62/626031062.db2.gz CQNSQHBPJBHGLX-MWLCHTKSSA-N -1 3 279.296 1.675 20 5 CDBDHM O=[N+]([O-])c1ccc(CNc2cc(-c3nnn[n-]3)cnn2)cc1 ZINC001607081100 1164071414 /nfs/dbraw/zinc/07/14/14/1164071414.db2.gz BULWIFWOBKQPBI-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(CNc2cc(-c3nn[n-]n3)cnn2)cc1 ZINC001607081100 1164071423 /nfs/dbraw/zinc/07/14/23/1164071423.db2.gz BULWIFWOBKQPBI-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CO1 ZINC001590206033 1173292237 /nfs/dbraw/zinc/29/22/37/1173292237.db2.gz GTUFIXGYLZTZDO-VXNVDRBHSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CO1 ZINC001590206033 1173292240 /nfs/dbraw/zinc/29/22/40/1173292240.db2.gz GTUFIXGYLZTZDO-VXNVDRBHSA-N -1 3 290.283 1.364 20 5 CDBDHM Cc1c[nH]c(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001592293543 1173849438 /nfs/dbraw/zinc/84/94/38/1173849438.db2.gz CSEHZMLTWGHTKW-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM Cc1c[nH]c(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001592293543 1173849444 /nfs/dbraw/zinc/84/94/44/1173849444.db2.gz CSEHZMLTWGHTKW-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCCCO ZINC001593467681 1174079999 /nfs/dbraw/zinc/07/99/99/1174079999.db2.gz CBNOBDDZWLVOFN-UHFFFAOYSA-N -1 3 296.262 1.098 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCCCO ZINC001593467681 1174080007 /nfs/dbraw/zinc/08/00/07/1174080007.db2.gz CBNOBDDZWLVOFN-UHFFFAOYSA-N -1 3 296.262 1.098 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1C[C@H]1C1CC1 ZINC001593475404 1174080700 /nfs/dbraw/zinc/08/07/00/1174080700.db2.gz PGPABZSPKKJOOH-VHSXEESVSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1C[C@H]1C1CC1 ZINC001593475404 1174080703 /nfs/dbraw/zinc/08/07/03/1174080703.db2.gz PGPABZSPKKJOOH-VHSXEESVSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@H]2C[C@H]2C1 ZINC001593470905 1174081578 /nfs/dbraw/zinc/08/15/78/1174081578.db2.gz QBEPAGUWHQIVBD-CBAPKCEASA-N -1 3 287.283 1.016 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@H]2C[C@H]2C1 ZINC001593470905 1174081581 /nfs/dbraw/zinc/08/15/81/1174081581.db2.gz QBEPAGUWHQIVBD-CBAPKCEASA-N -1 3 287.283 1.016 20 5 CDBDHM C[C@@H](CO)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603566415 1175565309 /nfs/dbraw/zinc/56/53/09/1175565309.db2.gz LODXOBIPOJQVNQ-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@@H](CO)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603566415 1175565311 /nfs/dbraw/zinc/56/53/11/1175565311.db2.gz LODXOBIPOJQVNQ-LURJTMIESA-N -1 3 281.297 1.248 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CCC1 ZINC001607084187 1164073635 /nfs/dbraw/zinc/07/36/35/1164073635.db2.gz URZIVJPXRQAULI-UHFFFAOYSA-N -1 3 260.257 1.739 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CCC1 ZINC001607084187 1164073640 /nfs/dbraw/zinc/07/36/40/1164073640.db2.gz URZIVJPXRQAULI-UHFFFAOYSA-N -1 3 260.257 1.739 20 5 CDBDHM CC(C)(CCC(=O)[N-]Oc1ccccc1)[N+](=O)[O-] ZINC000854536886 712424494 /nfs/dbraw/zinc/42/44/94/712424494.db2.gz YCUYCFUYUJBQBC-UHFFFAOYSA-N -1 3 252.270 1.932 20 5 CDBDHM COCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609322633 1164902426 /nfs/dbraw/zinc/90/24/26/1164902426.db2.gz AUAKGSZCOGJFEX-UHFFFAOYSA-N -1 3 293.287 1.008 20 5 CDBDHM COCCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609322633 1164902433 /nfs/dbraw/zinc/90/24/33/1164902433.db2.gz AUAKGSZCOGJFEX-UHFFFAOYSA-N -1 3 293.287 1.008 20 5 CDBDHM CC(C)(NC[C@](C)(O)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001609785142 1165080159 /nfs/dbraw/zinc/08/01/59/1165080159.db2.gz LPDBOSLLLPDXLD-ZDUSSCGKSA-N -1 3 282.296 1.255 20 5 CDBDHM CC[C@H](C)N(CC(=O)[O-])Cc1cn(C)nc1[N+](=O)[O-] ZINC001604961549 1167876221 /nfs/dbraw/zinc/87/62/21/1167876221.db2.gz VQTIDGOKVPWBJI-QMMMGPOBSA-N -1 3 270.289 1.013 20 5 CDBDHM CC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001094848167 910999885 /nfs/dbraw/zinc/99/98/85/910999885.db2.gz BSFUAOVAFAUXBC-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM CCC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107002287 917746027 /nfs/dbraw/zinc/74/60/27/917746027.db2.gz VMXYKANBPAGQRN-ONEGZZNKSA-N -1 3 280.284 1.190 20 5 CDBDHM CCCC(=O)NCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001099898064 936817049 /nfs/dbraw/zinc/81/70/49/936817049.db2.gz KBHPOKWBLWSFJW-UHFFFAOYSA-N -1 3 282.300 1.048 20 5 CDBDHM Nc1cc(NCc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC001158774268 938663027 /nfs/dbraw/zinc/66/30/27/938663027.db2.gz JRCVMBNORUCXES-UHFFFAOYSA-N -1 3 261.241 1.285 20 5 CDBDHM Cn1cnc([N-]c2ccc([N+](=O)[O-])nc2)c2ncnc1-2 ZINC001203560948 939693578 /nfs/dbraw/zinc/69/35/78/939693578.db2.gz RJRNYPINTYQGKO-UHFFFAOYSA-N -1 3 271.240 1.362 20 5 CDBDHM Nc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1[N+](=O)[O-] ZINC001209935004 940652940 /nfs/dbraw/zinc/65/29/40/940652940.db2.gz UGBWWZFVSZPQPD-UHFFFAOYSA-N -1 3 279.281 1.705 20 5 CDBDHM NC(=O)c1cnoc1[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC001216482321 940941101 /nfs/dbraw/zinc/94/11/01/940941101.db2.gz HGKGDRXWDRRRAW-UHFFFAOYSA-N -1 3 266.188 1.564 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@H]2C[C@H](O)C2)c1[N+](=O)[O-] ZINC001218427255 941216594 /nfs/dbraw/zinc/21/65/94/941216594.db2.gz VKPQNMQBPSYGJW-ZKCHVHJHSA-N -1 3 254.242 1.154 20 5 CDBDHM C[C@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CCO1 ZINC001225663869 941896484 /nfs/dbraw/zinc/89/64/84/941896484.db2.gz HWLNHFJESAJXRY-JGVFFNPUSA-N -1 3 254.242 1.642 20 5 CDBDHM COC(=O)[C@H]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666542 941897341 /nfs/dbraw/zinc/89/73/41/941897341.db2.gz KJOOWNAEHHXOBH-DTWKUNHWSA-N -1 3 296.279 1.806 20 5 CDBDHM Cc1cc2[n-]c(OC[C@H]3COC(=O)O3)nc2cc1[N+](=O)[O-] ZINC001228674614 942354480 /nfs/dbraw/zinc/35/44/80/942354480.db2.gz KCLDWZOKNKXCBG-ZETCQYMHSA-N -1 3 293.235 1.694 20 5 CDBDHM Cc1[n-]c(=O)cc(OC2CCC(=O)CC2)c1[N+](=O)[O-] ZINC001228687329 942357317 /nfs/dbraw/zinc/35/73/17/942357317.db2.gz VRVWGFYURICOQK-UHFFFAOYSA-N -1 3 266.253 1.894 20 5 CDBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCN(C)C2)cc1[O-] ZINC001228812756 942380728 /nfs/dbraw/zinc/38/07/28/942380728.db2.gz XWNSQBOSNBXXIV-MRVPVSSYSA-N -1 3 296.279 1.170 20 5 CDBDHM O=C([O-])CCC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587423 947542754 /nfs/dbraw/zinc/54/27/54/947542754.db2.gz XGWDZPWIVIJCEM-LLVKDONJSA-N -1 3 292.291 1.086 20 5 CDBDHM O=[N+]([O-])c1sccc1[N-]c1ccn(CCO)n1 ZINC001306962685 954092132 /nfs/dbraw/zinc/09/21/32/954092132.db2.gz SHYYVCLXRNSDKU-UHFFFAOYSA-N -1 3 254.271 1.589 20 5 CDBDHM CC(C)c1noc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC001327680080 954997727 /nfs/dbraw/zinc/99/77/27/954997727.db2.gz LDTNUZIOVSDQIW-UHFFFAOYSA-N -1 3 293.283 1.856 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)[n-]1 ZINC001342543219 963760914 /nfs/dbraw/zinc/76/09/14/963760914.db2.gz CDROTGKRGISKPP-VIFPVBQESA-N -1 3 289.295 1.782 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)[n-]1 ZINC001342543217 963761061 /nfs/dbraw/zinc/76/10/61/963761061.db2.gz CDROTGKRGISKPP-SECBINFHSA-N -1 3 289.295 1.782 20 5 CDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001604467494 1163192562 /nfs/dbraw/zinc/19/25/62/1163192562.db2.gz LHSPYUKSFPKRSP-XWIASGKRSA-N -1 3 294.307 1.423 20 5 CDBDHM C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001604757445 1163313444 /nfs/dbraw/zinc/31/34/44/1163313444.db2.gz QHAXXYFBXMUBBN-PSASIEDQSA-N -1 3 282.300 1.013 20 5 CDBDHM C[C@@H](O)CCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605406223 1163551543 /nfs/dbraw/zinc/55/15/43/1163551543.db2.gz GUZXWOBQVVKBCO-ZCFIWIBFSA-N -1 3 296.262 1.097 20 5 CDBDHM C[C@@H](O)CCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605406223 1163551549 /nfs/dbraw/zinc/55/15/49/1163551549.db2.gz GUZXWOBQVVKBCO-ZCFIWIBFSA-N -1 3 296.262 1.097 20 5 CDBDHM CCN1CCC[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162344850 342073130 /nfs/dbraw/zinc/07/31/30/342073130.db2.gz VDMIVADEDMEVRA-JTQLQIEISA-N -1 3 294.311 1.584 20 5 CDBDHM O=[N+]([O-])c1cc([O-])ccc1-n1cc(CSCCO)nn1 ZINC000594652050 342933355 /nfs/dbraw/zinc/93/33/55/342933355.db2.gz KHHCBRMIWBLCCA-UHFFFAOYSA-N -1 3 296.308 1.107 20 5 CDBDHM COCCOCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596061531 343223275 /nfs/dbraw/zinc/22/32/75/343223275.db2.gz BBZDYLLVFUTPAM-UHFFFAOYSA-N -1 3 271.273 1.160 20 5 CDBDHM C[C@@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](C)O1 ZINC000596270401 343281664 /nfs/dbraw/zinc/28/16/64/343281664.db2.gz GKHRKDYAFRAKKK-HRDYMLBCSA-N -1 3 267.285 1.921 20 5 CDBDHM COc1ccc(S(=O)(=O)[N-]CCCF)c([N+](=O)[O-])c1 ZINC000134516949 342432753 /nfs/dbraw/zinc/43/27/53/342432753.db2.gz 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CDBDHM CCO[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000127744950 392626956 /nfs/dbraw/zinc/62/69/56/392626956.db2.gz KLUWTLLJTPCTKV-GQCTYLIASA-N -1 3 254.217 1.815 20 5 CDBDHM CCCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232994276 140225644 /nfs/dbraw/zinc/22/56/44/140225644.db2.gz FZYBMOXMJCZFEZ-VIFPVBQESA-N -1 3 267.285 1.756 20 5 CDBDHM CN(C)Cc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)no1 ZINC000359173810 158149499 /nfs/dbraw/zinc/14/94/99/158149499.db2.gz GXSYNXVCPZLZDR-UHFFFAOYSA-N -1 3 290.279 1.897 20 5 CDBDHM CC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000285212558 196223213 /nfs/dbraw/zinc/22/32/13/196223213.db2.gz DSNLHRZOCJVXJJ-UHFFFAOYSA-N -1 3 296.312 1.719 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCF ZINC000134507832 279781719 /nfs/dbraw/zinc/78/17/19/279781719.db2.gz LRPDWPANXAUTMD-UHFFFAOYSA-N -1 3 292.288 1.241 20 5 CDBDHM C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000225817957 280097940 /nfs/dbraw/zinc/09/79/40/280097940.db2.gz 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C[C@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170573830 1162974676 /nfs/dbraw/zinc/97/46/76/1162974676.db2.gz KZSSNBKRYXQYNK-UFBFGSQYSA-N -1 3 295.295 1.082 20 5 CDBDHM CO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001605154373 1163470767 /nfs/dbraw/zinc/47/07/67/1163470767.db2.gz ZBBCFDNZKZYAND-KYZUINATSA-N -1 3 290.283 1.364 20 5 CDBDHM CO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001605154373 1163470770 /nfs/dbraw/zinc/47/07/70/1163470770.db2.gz ZBBCFDNZKZYAND-KYZUINATSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@@H]2CC23CC3)ccc1-c1nnn[n-]1 ZINC001607080322 1164070451 /nfs/dbraw/zinc/07/04/51/1164070451.db2.gz UGUSAJSJCARJKB-SNVBAGLBSA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001607082970 1164071719 /nfs/dbraw/zinc/07/17/19/1164071719.db2.gz XJUFYJFMEIVUFP-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001607082970 1164071727 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CC[C@H](COc1cc(=O)[n-]c(C)c1[N+](=O)[O-])OC ZINC001228687765 942358457 /nfs/dbraw/zinc/35/84/57/942358457.db2.gz BBBGOQQWBPUFFP-MRVPVSSYSA-N -1 3 256.258 1.808 20 5 CDBDHM CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001336224861 960259324 /nfs/dbraw/zinc/25/93/24/960259324.db2.gz RGEDAYOZMLMKEV-NSHDSACASA-N -1 3 293.323 1.515 20 5 CDBDHM C[C@H](CC(=O)[O-])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001609888645 970587107 /nfs/dbraw/zinc/58/71/07/970587107.db2.gz OZKYVWMDEVOSRI-MRVPVSSYSA-N -1 3 296.279 1.319 20 5 CDBDHM CN(CC1CC1)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604728216 1163300021 /nfs/dbraw/zinc/30/00/21/1163300021.db2.gz DSCQXBKWDAPPAX-UHFFFAOYSA-N -1 3 275.272 1.016 20 5 CDBDHM CN(CC1CC1)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604728216 1163300026 /nfs/dbraw/zinc/30/00/26/1163300026.db2.gz DSCQXBKWDAPPAX-UHFFFAOYSA-N -1 3 275.272 1.016 20 5 CDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001593703706 996181566 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O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1-n1ccnc1 ZINC001593469502 1174078182 /nfs/dbraw/zinc/07/81/82/1174078182.db2.gz SXHPJQMFLFXVNC-UHFFFAOYSA-N -1 3 275.203 1.100 20 5 CDBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cocn1 ZINC000609216864 342097035 /nfs/dbraw/zinc/09/70/35/342097035.db2.gz URMUWZWQQQEHRZ-UHFFFAOYSA-N -1 3 251.173 1.974 20 5 CDBDHM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000092940377 342269035 /nfs/dbraw/zinc/26/90/35/342269035.db2.gz NKWNJGOWKOWVIP-CABZTGNLSA-N -1 3 264.281 1.890 20 5 CDBDHM CC(C)(CO)Cc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594653443 342934223 /nfs/dbraw/zinc/93/42/23/342934223.db2.gz USPJNAOKZPRXIX-UHFFFAOYSA-N -1 3 292.295 1.442 20 5 CDBDHM COC(=O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596056289 343222161 /nfs/dbraw/zinc/22/21/61/343222161.db2.gz QLLDRECLOIFMFS-UHFFFAOYSA-N -1 3 281.268 1.085 20 5 CDBDHM COC(=O)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596087324 343233231 /nfs/dbraw/zinc/23/32/31/343233231.db2.gz 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O=c1[n-]ccc(NC[C@H]2CSCCS2)c1[N+](=O)[O-] ZINC000695466878 899480864 /nfs/dbraw/zinc/48/08/64/899480864.db2.gz BMXWIHYRGNUFCD-ZETCQYMHSA-N -1 3 287.366 1.956 20 5 CDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001093455241 909819165 /nfs/dbraw/zinc/81/91/65/909819165.db2.gz CCHDPNKHCFKZSP-UHFFFAOYSA-N -1 3 292.251 1.130 20 5 CDBDHM CC(C)=CC(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094294554 910492772 /nfs/dbraw/zinc/49/27/72/910492772.db2.gz ZKSIEMTVMAVQPQ-UHFFFAOYSA-N -1 3 294.311 1.580 20 5 CDBDHM COC(=O)c1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199802762 925869941 /nfs/dbraw/zinc/86/99/41/925869941.db2.gz YBACWFDOMZXRCA-UHFFFAOYSA-N -1 3 290.235 1.621 20 5 CDBDHM COc1ncnc(OC)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814556 925876005 /nfs/dbraw/zinc/87/60/05/925876005.db2.gz KOXDOLWQTPNOHP-UHFFFAOYSA-N -1 3 292.251 1.851 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001210445126 940691656 /nfs/dbraw/zinc/69/16/56/940691656.db2.gz QJNCVWAKNPFNKV-UHFFFAOYSA-N -1 3 293.239 1.130 20 5 CDBDHM CCOC(=O)[C@H](C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226335281 941989357 /nfs/dbraw/zinc/98/93/57/941989357.db2.gz GDDVDPAEGSKGMR-ZETCQYMHSA-N -1 3 255.226 1.631 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226510227 942016841 /nfs/dbraw/zinc/01/68/41/942016841.db2.gz JSTCTFUEUKAGGT-ZETCQYMHSA-N -1 3 293.283 1.371 20 5 CDBDHM O=c1[n-]ccc(NC[C@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001307107490 956363216 /nfs/dbraw/zinc/36/32/16/956363216.db2.gz UXEXQCMISUCXOK-NSHDSACASA-N -1 3 293.254 1.980 20 5 CDBDHM O=c1cc(Cn2ccnc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001307385305 956402765 /nfs/dbraw/zinc/40/27/65/956402765.db2.gz SAFWHHGJUDKFJK-UHFFFAOYSA-N -1 3 261.241 1.213 20 5 CDBDHM COC(=O)c1ccc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000590536659 342575761 /nfs/dbraw/zinc/57/57/61/342575761.db2.gz ZAWITPNLIIBJNQ-UHFFFAOYSA-N -1 3 296.264 1.418 20 5 CDBDHM CCN(C)CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166751839 342073589 /nfs/dbraw/zinc/07/35/89/342073589.db2.gz VEHFOTOLSDHCFY-UHFFFAOYSA-N -1 3 268.273 1.052 20 5 CDBDHM Cc1cc(N(C)C[C@@H](C)c2nnn[n-]2)c([N+](=O)[O-])s1 ZINC000596192560 343253503 /nfs/dbraw/zinc/25/35/03/343253503.db2.gz DEPWXKZWPCRUNN-ZCFIWIBFSA-N -1 3 282.329 1.718 20 5 CDBDHM Cc1cc(N(C)C[C@@H](C)c2nn[n-]n2)c([N+](=O)[O-])s1 ZINC000596192560 343253505 /nfs/dbraw/zinc/25/35/05/343253505.db2.gz DEPWXKZWPCRUNN-ZCFIWIBFSA-N -1 3 282.329 1.718 20 5 CDBDHM CCC[C@]1(CO)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596240812 343284681 /nfs/dbraw/zinc/28/46/81/343284681.db2.gz ZDMHDFYKQQEIJR-ZDUSSCGKSA-N -1 3 281.312 1.684 20 5 CDBDHM CN(CCC(=O)OC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596164649 343257254 /nfs/dbraw/zinc/25/72/54/343257254.db2.gz VKJOISUVNCQGID-UHFFFAOYSA-N -1 3 297.311 1.863 20 5 CDBDHM O=c1[n-]ccc(NC[C@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000596206386 343266009 /nfs/dbraw/zinc/26/60/09/343266009.db2.gz JXYOSPQNROWVCI-YUMQZZPRSA-N -1 3 253.258 1.268 20 5 CDBDHM CC1(C)C[C@@H](O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596259156 343277110 /nfs/dbraw/zinc/27/71/10/343277110.db2.gz SODAYNJYCHFDGT-VIFPVBQESA-N -1 3 281.312 1.683 20 5 CDBDHM CCn1nccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596573064 343353245 /nfs/dbraw/zinc/35/32/45/343353245.db2.gz SGBUUYVUAYWPPF-UHFFFAOYSA-N -1 3 263.257 1.524 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CC[S@](=O)c1ccc([O-])cc1 ZINC000601913925 344279586 /nfs/dbraw/zinc/27/95/86/344279586.db2.gz VUIGVMBOGGNZIX-FQEVSTJZSA-N -1 3 295.320 1.613 20 5 CDBDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000087041015 179387114 /nfs/dbraw/zinc/38/71/14/179387114.db2.gz UKANMEWXRXKHCJ-NSHDSACASA-N -1 3 288.325 1.034 20 5 CDBDHM COc1ccc(CN2CC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000062134346 363013898 /nfs/dbraw/zinc/01/38/98/363013898.db2.gz NPDWBWNMRKIUEO-JTQLQIEISA-N -1 3 280.280 1.510 20 5 CDBDHM O=c1cc(Cn2nccc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC000412993010 363035058 /nfs/dbraw/zinc/03/50/58/363035058.db2.gz NNUJKSDBNKKOBK-UHFFFAOYSA-N -1 3 261.241 1.213 20 5 CDBDHM CN1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000271880646 191386188 /nfs/dbraw/zinc/38/61/88/191386188.db2.gz BYDHWZAQTJMQFF-UHFFFAOYSA-N -1 3 291.307 1.292 20 5 CDBDHM CC(C)n1nccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186855664 357699777 /nfs/dbraw/zinc/69/97/77/357699777.db2.gz PYKHZJLJZRAOKK-UHFFFAOYSA-N -1 3 291.267 1.725 20 5 CDBDHM NC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000338880385 359191778 /nfs/dbraw/zinc/19/17/78/359191778.db2.gz NAMOWSHIGMRSHP-UHFFFAOYSA-N -1 3 293.210 1.678 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]OCCCOC)c1 ZINC000287885805 359132054 /nfs/dbraw/zinc/13/20/54/359132054.db2.gz RAAZVPOLWPAAKM-UHFFFAOYSA-N -1 3 298.295 1.691 20 5 CDBDHM O=C([O-])c1cnc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000162416164 359176654 /nfs/dbraw/zinc/17/66/54/359176654.db2.gz JPMFKYUVDGEHKE-UHFFFAOYSA-N -1 3 280.284 1.196 20 5 CDBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN(C)C1 ZINC000182048923 189312810 /nfs/dbraw/zinc/31/28/10/189312810.db2.gz GRVQMJSVZVSEQS-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM Cc1ccc([O-])c(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000129984847 370553220 /nfs/dbraw/zinc/55/32/20/370553220.db2.gz VMZFQXBPCLQINT-UHFFFAOYSA-N -1 3 290.279 1.235 20 5 CDBDHM CN(CCN1CCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356510027 372910873 /nfs/dbraw/zinc/91/08/73/372910873.db2.gz HZILFVPPKSMTJD-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM Cc1nnc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1C ZINC000273160493 373706600 /nfs/dbraw/zinc/70/66/00/373706600.db2.gz KAYWBRVGRWWFLU-UHFFFAOYSA-N -1 3 293.287 1.131 20 5 CDBDHM CCO[N-]C(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000283423502 375114717 /nfs/dbraw/zinc/11/47/17/375114717.db2.gz IUDWSIWJTHSTPN-UHFFFAOYSA-N -1 3 254.242 1.675 20 5 CDBDHM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC000162406147 375345945 /nfs/dbraw/zinc/34/59/45/375345945.db2.gz SIHBGRCPCRSLHT-SSDOTTSWSA-N -1 3 268.273 1.050 20 5 CDBDHM COc1cc(CNC[C@H](O)C(F)F)c([N+](=O)[O-])cc1[O-] ZINC000344766334 375430800 /nfs/dbraw/zinc/43/08/00/375430800.db2.gz XMOZYTRPEXQRRS-VIFPVBQESA-N -1 3 292.238 1.025 20 5 CDBDHM COc1cc(CN=c2[nH]oc(C)c2C)c([N+](=O)[O-])cc1[O-] ZINC000453052493 252262966 /nfs/dbraw/zinc/26/29/66/252262966.db2.gz PLDLQSPONULHPF-UHFFFAOYSA-N -1 3 293.279 1.948 20 5 CDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)CN1C ZINC000519782340 391220451 /nfs/dbraw/zinc/22/04/51/391220451.db2.gz ZTKNSYJKTQVXBW-UWVGGRQHSA-N -1 3 293.323 1.822 20 5 CDBDHM CC(C)C[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232617092 140223268 /nfs/dbraw/zinc/22/32/68/140223268.db2.gz QLTFDLGYQHUWHE-VIFPVBQESA-N -1 3 267.285 1.612 20 5 CDBDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352476537 155212635 /nfs/dbraw/zinc/21/26/35/155212635.db2.gz IUBAUIXAINLCBH-VIFPVBQESA-N -1 3 284.337 1.919 20 5 CDBDHM CSc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000354122786 156277988 /nfs/dbraw/zinc/27/79/88/156277988.db2.gz OLTOGSIUYSMNCE-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM CSc1n[n-]c(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000354122786 156277994 /nfs/dbraw/zinc/27/79/94/156277994.db2.gz OLTOGSIUYSMNCE-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM CSc1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000354122786 156277997 /nfs/dbraw/zinc/27/79/97/156277997.db2.gz OLTOGSIUYSMNCE-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1 ZINC000285202727 196219383 /nfs/dbraw/zinc/21/93/83/196219383.db2.gz VEORMZCPVRYZLO-UHFFFAOYSA-N -1 3 282.285 1.374 20 5 CDBDHM O=C([O-])C1CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000071173793 176053639 /nfs/dbraw/zinc/05/36/39/176053639.db2.gz NYMIZTSMYIBKLO-UHFFFAOYSA-N -1 3 250.254 1.154 20 5 CDBDHM CCN(CCC(=O)[O-])Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000737096042 575818454 /nfs/dbraw/zinc/81/84/54/575818454.db2.gz IYVNERACLLLXNO-UHFFFAOYSA-N -1 3 292.295 1.699 20 5 CDBDHM CCOCCO[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000768215301 576264998 /nfs/dbraw/zinc/26/49/98/576264998.db2.gz CCBBTVQPEXBUFF-UHFFFAOYSA-N -1 3 284.268 1.301 20 5 CDBDHM C[C@@H](C(=O)[N-]C1=NCCS1)c1cccc([N+](=O)[O-])c1 ZINC000761422191 576575287 /nfs/dbraw/zinc/57/52/87/576575287.db2.gz SEIPOZAEGNNVQO-MRVPVSSYSA-N -1 3 279.321 1.917 20 5 CDBDHM CC[C@@H](O)CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820933017 606879759 /nfs/dbraw/zinc/87/97/59/606879759.db2.gz SKTFKFXAFWGVJN-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@H](O)CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820933017 606879761 /nfs/dbraw/zinc/87/97/61/606879761.db2.gz SKTFKFXAFWGVJN-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM O=C([O-])[C@H]1CSCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000901892881 618321438 /nfs/dbraw/zinc/32/14/38/618321438.db2.gz YFWNMOBTEAYPPA-LLVKDONJSA-N -1 3 296.348 1.844 20 5 CDBDHM CCOC1CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C1 ZINC000894819300 619073070 /nfs/dbraw/zinc/07/30/70/619073070.db2.gz KRCAWOGXDPYHNW-UHFFFAOYSA-N -1 3 282.296 1.530 20 5 CDBDHM CC(=O)OCCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853554237 679008936 /nfs/dbraw/zinc/00/89/36/679008936.db2.gz KITDATDEHQPERF-UHFFFAOYSA-N -1 3 272.282 1.741 20 5 CDBDHM COCCO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714049038 679085016 /nfs/dbraw/zinc/08/50/16/679085016.db2.gz VTBSWCCKDAQRCI-UHFFFAOYSA-N -1 3 258.205 1.042 20 5 CDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(=O)[O-])C1 ZINC001604466750 1163192838 /nfs/dbraw/zinc/19/28/38/1163192838.db2.gz BCAHJVORENAISO-NOZJJQNGSA-N -1 3 280.280 1.177 20 5 CDBDHM Cc1ccc(Cn2nccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605861559 1163694478 /nfs/dbraw/zinc/69/44/78/1163694478.db2.gz SWJWQASIVNGGJI-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1ccc(Cn2nccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605861559 1163694481 /nfs/dbraw/zinc/69/44/81/1163694481.db2.gz SWJWQASIVNGGJI-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001607085871 1164074133 /nfs/dbraw/zinc/07/41/33/1164074133.db2.gz AFTDJOHHVYXRGU-RNLVFQAGSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001607085871 1164074137 /nfs/dbraw/zinc/07/41/37/1164074137.db2.gz AFTDJOHHVYXRGU-RNLVFQAGSA-N -1 3 287.283 1.380 20 5 CDBDHM C[C@@H](CCCO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609109448 1164774798 /nfs/dbraw/zinc/77/47/98/1164774798.db2.gz AYSKUVYLHVSUSK-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)n1cc([N+](=O)[O-])cn1 ZINC001609140806 1164790161 /nfs/dbraw/zinc/79/01/61/1164790161.db2.gz UJKSYUKWLWTGJD-QMMMGPOBSA-N -1 3 285.267 1.581 20 5 CDBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)n1cc([N+](=O)[O-])cn1 ZINC001609140806 1164790166 /nfs/dbraw/zinc/79/01/66/1164790166.db2.gz UJKSYUKWLWTGJD-QMMMGPOBSA-N -1 3 285.267 1.581 20 5 CDBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609147199 1164793683 /nfs/dbraw/zinc/79/36/83/1164793683.db2.gz OBGAWXHRMGUDQE-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609147199 1164793690 /nfs/dbraw/zinc/79/36/90/1164793690.db2.gz OBGAWXHRMGUDQE-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CC1(C)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609144967 1164794620 /nfs/dbraw/zinc/79/46/20/1164794620.db2.gz USMLSBXZRYGLGN-VIFPVBQESA-N -1 3 289.299 1.770 20 5 CDBDHM CC1(C)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609144967 1164794627 /nfs/dbraw/zinc/79/46/27/1164794627.db2.gz USMLSBXZRYGLGN-VIFPVBQESA-N -1 3 289.299 1.770 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCCF ZINC001609602698 1165000580 /nfs/dbraw/zinc/00/05/80/1165000580.db2.gz DSEAUEVTFSHYOC-UHFFFAOYSA-N -1 3 280.263 1.937 20 5 CDBDHM CC(C)(COC(=O)c1cccc(-c2nnn[n-]2)c1)[N+](=O)[O-] ZINC001589298814 1173134257 /nfs/dbraw/zinc/13/42/57/1173134257.db2.gz BRMCVRHUPGPUEF-UHFFFAOYSA-N -1 3 291.267 1.079 20 5 CDBDHM CC(C)(COC(=O)c1cccc(-c2nn[n-]n2)c1)[N+](=O)[O-] ZINC001589298814 1173134260 /nfs/dbraw/zinc/13/42/60/1173134260.db2.gz BRMCVRHUPGPUEF-UHFFFAOYSA-N -1 3 291.267 1.079 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN1CC[C@@H](F)C1 ZINC001593483033 1174085651 /nfs/dbraw/zinc/08/56/51/1174085651.db2.gz RROWGZHWCSVEOX-MRVPVSSYSA-N -1 3 292.274 1.319 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN1CC[C@@H](F)C1 ZINC001593483033 1174085657 /nfs/dbraw/zinc/08/56/57/1174085657.db2.gz RROWGZHWCSVEOX-MRVPVSSYSA-N -1 3 292.274 1.319 20 5 CDBDHM CCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110065108 929135932 /nfs/dbraw/zinc/13/59/32/929135932.db2.gz YCCCNQDKMDJDPR-UHFFFAOYSA-N -1 3 294.311 1.556 20 5 CDBDHM O=C([O-])CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001117052963 937491731 /nfs/dbraw/zinc/49/17/31/937491731.db2.gz ODTVMPYQRZUURF-UHFFFAOYSA-N -1 3 293.304 1.893 20 5 CDBDHM Cc1[n-]c(=O)cc(OC2CCC(O)CC2)c1[N+](=O)[O-] ZINC001218365151 941209927 /nfs/dbraw/zinc/20/99/27/941209927.db2.gz UFVGBRWZUGKNIL-UHFFFAOYSA-N -1 3 268.269 1.686 20 5 CDBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ncccn1 ZINC001225661666 941895714 /nfs/dbraw/zinc/89/57/14/941895714.db2.gz NSGATWBDDRRPGS-ZETCQYMHSA-N -1 3 262.225 1.625 20 5 CDBDHM CCc1cnc(=S)[n-]c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227062656 942124521 /nfs/dbraw/zinc/12/45/21/942124521.db2.gz YCHWMBCBAPKSQM-VIFPVBQESA-N -1 3 269.326 1.762 20 5 CDBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cncnc1 ZINC001227691830 942204954 /nfs/dbraw/zinc/20/49/54/942204954.db2.gz QPJOZRIELJCWQO-SSDOTTSWSA-N -1 3 286.251 1.796 20 5 CDBDHM CN1CC[C@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228604957 942340821 /nfs/dbraw/zinc/34/08/21/942340821.db2.gz YYTFDRFXPKOOTC-QMMMGPOBSA-N -1 3 280.284 1.051 20 5 CDBDHM Cc1cc2nc(O[C@H]3CCCOC3=O)[n-]c2cc1[N+](=O)[O-] ZINC001228673928 942353442 /nfs/dbraw/zinc/35/34/42/942353442.db2.gz HPOGRENNGJPFGT-NSHDSACASA-N -1 3 291.263 1.864 20 5 CDBDHM Cc1cc2[n-]c(O[C@H]3CCCOC3=O)nc2cc1[N+](=O)[O-] ZINC001228673928 942353446 /nfs/dbraw/zinc/35/34/46/942353446.db2.gz HPOGRENNGJPFGT-NSHDSACASA-N -1 3 291.263 1.864 20 5 CDBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCN(C)C2)[n-]1 ZINC001231259486 942837267 /nfs/dbraw/zinc/83/72/67/942837267.db2.gz MUGUIPFBNJKOSO-MRVPVSSYSA-N -1 3 253.258 1.087 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCN(C)C2)n1 ZINC001231259486 942837268 /nfs/dbraw/zinc/83/72/68/942837268.db2.gz MUGUIPFBNJKOSO-MRVPVSSYSA-N -1 3 253.258 1.087 20 5 CDBDHM O=c1[n-]ccc(NCc2nncn2C2CC2)c1[N+](=O)[O-] ZINC001330025680 956240554 /nfs/dbraw/zinc/24/05/54/956240554.db2.gz PECKODZCKSZSLS-UHFFFAOYSA-N -1 3 276.256 1.234 20 5 CDBDHM Cc1cnc(NCc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC001307157795 956372604 /nfs/dbraw/zinc/37/26/04/956372604.db2.gz YYADIAQJEIDSCV-UHFFFAOYSA-N -1 3 275.268 1.714 20 5 CDBDHM CC(C)(CF)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001320639044 959288891 /nfs/dbraw/zinc/28/88/91/959288891.db2.gz VYVSSIMXLUYQRF-UHFFFAOYSA-N -1 3 282.318 1.683 20 5 CDBDHM C[C@@H]1NC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1C ZINC001522828507 970581220 /nfs/dbraw/zinc/58/12/20/970581220.db2.gz WONBRNLFIPMLNO-GUBZILKMSA-N -1 3 293.323 1.511 20 5 CDBDHM O=C([O-])[C@H]1[C@@H](CNCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000715334192 977744298 /nfs/dbraw/zinc/74/42/98/977744298.db2.gz LRGVYGLAHNNQGZ-PSASIEDQSA-N -1 3 286.234 1.650 20 5 CDBDHM COCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605088887 1163448430 /nfs/dbraw/zinc/44/84/30/1163448430.db2.gz CFILYJBIMAAIBW-UHFFFAOYSA-N -1 3 296.262 1.362 20 5 CDBDHM COCCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605088887 1163448436 /nfs/dbraw/zinc/44/84/36/1163448436.db2.gz CFILYJBIMAAIBW-UHFFFAOYSA-N -1 3 296.262 1.362 20 5 CDBDHM CCC(O)(CC)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596118113 343232397 /nfs/dbraw/zinc/23/23/97/343232397.db2.gz PQOKMYFLMJQUMB-UHFFFAOYSA-N -1 3 255.274 1.658 20 5 CDBDHM CC(C)OC(=O)[C@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138694 343241552 /nfs/dbraw/zinc/24/15/52/343241552.db2.gz CCBOXKOWLPDOPG-MRVPVSSYSA-N -1 3 283.284 1.695 20 5 CDBDHM CC[C@H](C)[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596123586 343248915 /nfs/dbraw/zinc/24/89/15/343248915.db2.gz PTWWWTSCCGSQQH-IONNQARKSA-N -1 3 255.274 1.514 20 5 CDBDHM CO[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596189361 343252338 /nfs/dbraw/zinc/25/23/38/343252338.db2.gz HYQTZYYQUHQDMB-VIFPVBQESA-N -1 3 267.285 1.701 20 5 CDBDHM COCC[C@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596269508 343281270 /nfs/dbraw/zinc/28/12/70/343281270.db2.gz CXRMJWMFVXRQKI-QMMMGPOBSA-N -1 3 255.274 1.780 20 5 CDBDHM CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000598342504 343770811 /nfs/dbraw/zinc/77/08/11/343770811.db2.gz OCFBAXLNSPMDIN-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM CCCN1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000598343926 343771394 /nfs/dbraw/zinc/77/13/94/343771394.db2.gz YQGHHVKQDDTECE-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000106364609 186111101 /nfs/dbraw/zinc/11/11/01/186111101.db2.gz DETRBXBHQJDAPG-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM O=C([N-]c1cnns1)c1ccc(F)cc1[N+](=O)[O-] ZINC000311144929 357289520 /nfs/dbraw/zinc/28/95/20/357289520.db2.gz LYDYNNZOUPUTIP-UHFFFAOYSA-N -1 3 268.229 1.838 20 5 CDBDHM COCCO[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000381458547 359048507 /nfs/dbraw/zinc/04/85/07/359048507.db2.gz UFOLDPVHAPNGOJ-DAXSKMNVSA-N -1 3 266.253 1.302 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)F)c([N+](=O)[O-])c1 ZINC000339033339 359279567 /nfs/dbraw/zinc/27/95/67/359279567.db2.gz BKQXQUWCOFUCGB-VIFPVBQESA-N -1 3 290.316 1.930 20 5 CDBDHM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339623261 359418233 /nfs/dbraw/zinc/41/82/33/359418233.db2.gz MUURQGOXWUQGSS-QWRGUYRKSA-N -1 3 279.340 1.825 20 5 CDBDHM CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000112401127 360509043 /nfs/dbraw/zinc/50/90/43/360509043.db2.gz FWTLBBRWDHUCNA-UHFFFAOYSA-N -1 3 295.339 1.762 20 5 CDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000048665440 372880935 /nfs/dbraw/zinc/88/09/35/372880935.db2.gz YJVGGFOAXJKURH-ZETCQYMHSA-N -1 3 288.300 1.811 20 5 CDBDHM CSc1cccc(C(=O)[N-]c2ncnn2C)c1[N+](=O)[O-] ZINC000186832811 373177532 /nfs/dbraw/zinc/17/75/32/373177532.db2.gz GSPXVFYQVJLPII-UHFFFAOYSA-N -1 3 293.308 1.698 20 5 CDBDHM Cc1c(Cn2cc(Cl)c(=O)[n-]c2=O)cccc1[N+](=O)[O-] ZINC000091329740 373938483 /nfs/dbraw/zinc/93/84/83/373938483.db2.gz UWCPCJMHXCUAHL-UHFFFAOYSA-N -1 3 295.682 1.455 20 5 CDBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000330449541 374855681 /nfs/dbraw/zinc/85/56/81/374855681.db2.gz JBYULWHPZIQNTF-LDYMZIIASA-N -1 3 279.296 1.904 20 5 CDBDHM CC(C)CCc1cc(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)[nH][nH]1 ZINC000356982680 375463548 /nfs/dbraw/zinc/46/35/48/375463548.db2.gz PBEVZVGOOSCVMH-UHFFFAOYSA-N -1 3 292.299 1.304 20 5 CDBDHM CC(C)CCc1cc(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)[nH][nH]1 ZINC000356982680 375463552 /nfs/dbraw/zinc/46/35/52/375463552.db2.gz PBEVZVGOOSCVMH-UHFFFAOYSA-N -1 3 292.299 1.304 20 5 CDBDHM C[C@H](CN(C)c1ncc([N+](=O)[O-])cc1Cl)c1nnn[n-]1 ZINC000132909244 375633144 /nfs/dbraw/zinc/63/31/44/375633144.db2.gz NDFZCHPLSAWUBT-ZCFIWIBFSA-N -1 3 297.706 1.396 20 5 CDBDHM C[C@H](CN(C)c1ncc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000132909244 375633150 /nfs/dbraw/zinc/63/31/50/375633150.db2.gz NDFZCHPLSAWUBT-ZCFIWIBFSA-N -1 3 297.706 1.396 20 5 CDBDHM CCOCCO[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492654506 253265457 /nfs/dbraw/zinc/26/54/57/253265457.db2.gz VXIKZWBZSURGBJ-SREVYHEPSA-N -1 3 280.280 1.692 20 5 CDBDHM COc1ccc(CNCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000035386960 172169178 /nfs/dbraw/zinc/16/91/78/172169178.db2.gz IXBMIMZITQDGAF-UHFFFAOYSA-N -1 3 254.242 1.168 20 5 CDBDHM C[C@H]1CC([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)=NO1 ZINC000270630538 290351965 /nfs/dbraw/zinc/35/19/65/290351965.db2.gz VEAUYCUNCSMFOL-LURJTMIESA-N -1 3 267.216 1.586 20 5 CDBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1c([O-])cccc1F ZINC000772577887 575725038 /nfs/dbraw/zinc/72/50/38/575725038.db2.gz ICWAPSFPKVMCRT-UHFFFAOYSA-N -1 3 295.226 1.493 20 5 CDBDHM COc1cccc(C(=O)[N-]O[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000767797930 576230447 /nfs/dbraw/zinc/23/04/47/576230447.db2.gz VDDRXKXWHWWEAM-NSHDSACASA-N -1 3 296.279 1.791 20 5 CDBDHM COc1c([O-])ccc(CN2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000891670244 617530474 /nfs/dbraw/zinc/53/04/74/617530474.db2.gz JBPACUAEEXAYBO-UWVGGRQHSA-N -1 3 296.323 1.918 20 5 CDBDHM O=c1[n-]ccc(NCc2nc(C3CC3)no2)c1[N+](=O)[O-] ZINC000853201282 679729052 /nfs/dbraw/zinc/72/90/52/679729052.db2.gz WWMCJTWHZJZXEM-UHFFFAOYSA-N -1 3 277.240 1.568 20 5 CDBDHM O=C(N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1)C1CC1 ZINC001059124033 679799245 /nfs/dbraw/zinc/79/92/45/679799245.db2.gz KTHMEZRTWLGJPY-KYZUINATSA-N -1 3 292.295 1.165 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCC1CCC1 ZINC000856343115 681230084 /nfs/dbraw/zinc/23/00/84/681230084.db2.gz VJYGTJYJQPKFGF-UHFFFAOYSA-N -1 3 264.281 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(CSCCc2nnn[n-]2)cc1F ZINC000882189272 681617082 /nfs/dbraw/zinc/61/70/82/681617082.db2.gz OHWKQSDVBZQGLF-UHFFFAOYSA-N -1 3 283.288 1.723 20 5 CDBDHM O=[N+]([O-])c1ccc(CSCCc2nn[n-]n2)cc1F ZINC000882189272 681617101 /nfs/dbraw/zinc/61/71/01/681617101.db2.gz OHWKQSDVBZQGLF-UHFFFAOYSA-N -1 3 283.288 1.723 20 5 CDBDHM CCO[N-]C(=O)CNCc1cccc([N+](=O)[O-])c1C ZINC000873133002 682695694 /nfs/dbraw/zinc/69/56/94/682695694.db2.gz MCXHLZAPESEWMJ-UHFFFAOYSA-N -1 3 267.285 1.061 20 5 CDBDHM CO[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC000853331176 682755485 /nfs/dbraw/zinc/75/54/85/682755485.db2.gz JZCBMNRIKJEETR-LURJTMIESA-N -1 3 281.190 1.685 20 5 CDBDHM CC(=O)N[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001063344436 682782130 /nfs/dbraw/zinc/78/21/30/682782130.db2.gz WOQIZFDNOZDLRG-MGCOHNPYSA-N -1 3 294.311 1.555 20 5 CDBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cnn[n-]1 ZINC000805609238 682820591 /nfs/dbraw/zinc/82/05/91/682820591.db2.gz OZMIHWVMMKZPMA-UHFFFAOYSA-N -1 3 266.188 1.209 20 5 CDBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1c[n-]nn1 ZINC000805609238 682820593 /nfs/dbraw/zinc/82/05/93/682820593.db2.gz OZMIHWVMMKZPMA-UHFFFAOYSA-N -1 3 266.188 1.209 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CC[C@H](F)C1 ZINC001607077863 1164072599 /nfs/dbraw/zinc/07/25/99/1164072599.db2.gz UKXYICSUMNTMBL-JTQLQIEISA-N -1 3 292.274 1.319 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CC[C@H](F)C1 ZINC001607077863 1164072606 /nfs/dbraw/zinc/07/26/06/1164072606.db2.gz UKXYICSUMNTMBL-JTQLQIEISA-N -1 3 292.274 1.319 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2ncncc2-c2nnn[n-]2)c1 ZINC001607084500 1164073865 /nfs/dbraw/zinc/07/38/65/1164073865.db2.gz JEMFZRSHMHJGHP-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@@H](CO)CSc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609114823 1164775988 /nfs/dbraw/zinc/77/59/88/1164775988.db2.gz YBLLFYJYZAUYSV-ZETCQYMHSA-N -1 3 295.324 1.495 20 5 CDBDHM C[C@@H](CO)CSc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609114823 1164775995 /nfs/dbraw/zinc/77/59/95/1164775995.db2.gz YBLLFYJYZAUYSV-ZETCQYMHSA-N -1 3 295.324 1.495 20 5 CDBDHM Cc1cc(N2CCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609405008 1164931161 /nfs/dbraw/zinc/93/11/61/1164931161.db2.gz SJCAFGZWMSZNPT-UHFFFAOYSA-N -1 3 260.257 1.293 20 5 CDBDHM Cc1cc(N2CCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609405008 1164931168 /nfs/dbraw/zinc/93/11/68/1164931168.db2.gz SJCAFGZWMSZNPT-UHFFFAOYSA-N -1 3 260.257 1.293 20 5 CDBDHM C[C@@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590239980 1173309590 /nfs/dbraw/zinc/30/95/90/1173309590.db2.gz OOUXCZQGTBRYOQ-VXNVDRBHSA-N -1 3 289.299 1.770 20 5 CDBDHM C[C@@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590239980 1173309595 /nfs/dbraw/zinc/30/95/95/1173309595.db2.gz OOUXCZQGTBRYOQ-VXNVDRBHSA-N -1 3 289.299 1.770 20 5 CDBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC001591866989 1173728335 /nfs/dbraw/zinc/72/83/35/1173728335.db2.gz NXUJMHCAQZYJSH-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC001591866989 1173728336 /nfs/dbraw/zinc/72/83/36/1173728336.db2.gz NXUJMHCAQZYJSH-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@@H]2C[C@@H]2C1 ZINC001593480078 1174081527 /nfs/dbraw/zinc/08/15/27/1174081527.db2.gz DSSIWOGSQXOPKF-OCAPTIKFSA-N -1 3 272.268 1.231 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@@H]2C[C@@H]2C1 ZINC001593480078 1174081531 /nfs/dbraw/zinc/08/15/31/1174081531.db2.gz DSSIWOGSQXOPKF-OCAPTIKFSA-N -1 3 272.268 1.231 20 5 CDBDHM COc1c([O-])ccc(CNCC(F)F)c1[N+](=O)[O-] ZINC001119967062 937768719 /nfs/dbraw/zinc/76/87/19/937768719.db2.gz HDWIOMJFMBSMGZ-UHFFFAOYSA-N -1 3 262.212 1.664 20 5 CDBDHM Cc1ncc(Nc2cc(Cl)ncc2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297731 938973026 /nfs/dbraw/zinc/97/30/26/938973026.db2.gz HLIYKRYTOAMDRL-SSDOTTSWSA-N -1 3 281.659 1.453 20 5 CDBDHM NC(=O)Cn1ccc([N-]c2ccsc2[N+](=O)[O-])n1 ZINC001162417851 939050840 /nfs/dbraw/zinc/05/08/40/939050840.db2.gz MZTZDOUSCCKXPE-UHFFFAOYSA-N -1 3 267.270 1.082 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1Nc1cnc[n-]c1=O ZINC001210443847 940691787 /nfs/dbraw/zinc/69/17/87/940691787.db2.gz GJPZTZILTYHANZ-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCOC[C@@H]2F)c1[N+](=O)[O-] ZINC001228687742 942358514 /nfs/dbraw/zinc/35/85/14/942358514.db2.gz AKWYGKLLGPAIPO-YUMQZZPRSA-N -1 3 272.232 1.510 20 5 CDBDHM CC(C)[N@@H+]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228972272 942402237 /nfs/dbraw/zinc/40/22/37/942402237.db2.gz VEIRKZKQFJVALW-JTQLQIEISA-N -1 3 282.296 1.868 20 5 CDBDHM CC(C)[N@H+]1CC[C@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])C1 ZINC001228972272 942402239 /nfs/dbraw/zinc/40/22/39/942402239.db2.gz VEIRKZKQFJVALW-JTQLQIEISA-N -1 3 282.296 1.868 20 5 CDBDHM C[C@@](O)(CNCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589146623 956295655 /nfs/dbraw/zinc/29/56/55/956295655.db2.gz GUCGACGLZSILHG-LLVKDONJSA-N -1 3 288.687 1.173 20 5 CDBDHM O=[N+]([O-])c1cc(F)ccc1SCCc1nnn[n-]1 ZINC001307146464 956371335 /nfs/dbraw/zinc/37/13/35/956371335.db2.gz ZGZKTYHHGSIVNX-UHFFFAOYSA-N -1 3 269.261 1.582 20 5 CDBDHM O=[N+]([O-])c1cc(F)ccc1SCCc1nn[n-]n1 ZINC001307146464 956371349 /nfs/dbraw/zinc/37/13/49/956371349.db2.gz ZGZKTYHHGSIVNX-UHFFFAOYSA-N -1 3 269.261 1.582 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](c2nnn[n-]2)C1 ZINC001308036556 956461620 /nfs/dbraw/zinc/46/16/20/956461620.db2.gz XTQMDGOTNWWZLM-QMMMGPOBSA-N -1 3 292.274 1.237 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](c2nn[n-]n2)C1 ZINC001308036556 956461625 /nfs/dbraw/zinc/46/16/25/956461625.db2.gz XTQMDGOTNWWZLM-QMMMGPOBSA-N -1 3 292.274 1.237 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1[N+](=O)[O-] ZINC001337004507 960838794 /nfs/dbraw/zinc/83/87/94/960838794.db2.gz MQSZWROQYXBESW-NBEYISGCSA-N -1 3 251.242 1.427 20 5 CDBDHM C[C@](CO)(NCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001592748723 979299107 /nfs/dbraw/zinc/29/91/07/979299107.db2.gz BWYKUTHUDKPKIH-LLVKDONJSA-N -1 3 288.687 1.173 20 5 CDBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1csc([N+](=O)[O-])c1 ZINC000588876044 342223469 /nfs/dbraw/zinc/22/34/69/342223469.db2.gz PZNWNZRVABKOAC-UHFFFAOYSA-N -1 3 296.308 1.042 20 5 CDBDHM Cc1ccnc(SCCc2nnn[n-]2)c1[N+](=O)[O-] ZINC000594873926 342973458 /nfs/dbraw/zinc/97/34/58/342973458.db2.gz SJZQDRMOTSIPHE-UHFFFAOYSA-N -1 3 266.286 1.146 20 5 CDBDHM Cc1ccnc(SCCc2nn[n-]n2)c1[N+](=O)[O-] ZINC000594873926 342973460 /nfs/dbraw/zinc/97/34/60/342973460.db2.gz SJZQDRMOTSIPHE-UHFFFAOYSA-N -1 3 266.286 1.146 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000596084118 343220669 /nfs/dbraw/zinc/22/06/69/343220669.db2.gz IJGRFCUJNPYFHJ-QMMMGPOBSA-N -1 3 253.258 1.534 20 5 CDBDHM CC(C)(C)OC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596135867 343240278 /nfs/dbraw/zinc/24/02/78/343240278.db2.gz CJHYMSKWLGXDCP-UHFFFAOYSA-N -1 3 283.284 1.839 20 5 CDBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596146349 343243518 /nfs/dbraw/zinc/24/35/18/343243518.db2.gz ZMJAMLJWFZSAGR-SECBINFHSA-N -1 3 255.274 1.778 20 5 CDBDHM COCc1nc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC000596238178 343283379 /nfs/dbraw/zinc/28/33/79/343283379.db2.gz KWHQZQIRJQHGCM-UHFFFAOYSA-N -1 3 296.308 1.910 20 5 CDBDHM C[C@@H](O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596169753 343258364 /nfs/dbraw/zinc/25/83/64/343258364.db2.gz KWMYXOPBOQGUBK-BDAKNGLRSA-N -1 3 267.285 1.293 20 5 CDBDHM CC1(C)C[C@H](O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596259155 343277088 /nfs/dbraw/zinc/27/70/88/343277088.db2.gz SODAYNJYCHFDGT-SECBINFHSA-N -1 3 281.312 1.683 20 5 CDBDHM C[C@@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000596270402 343281659 /nfs/dbraw/zinc/28/16/59/343281659.db2.gz GKHRKDYAFRAKKK-IWSPIJDZSA-N -1 3 267.285 1.921 20 5 CDBDHM Cc1ccnc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000598639082 343854068 /nfs/dbraw/zinc/85/40/68/343854068.db2.gz HSVUUPOJBSAUHR-QMMMGPOBSA-N -1 3 275.268 1.967 20 5 CDBDHM CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1 ZINC000598577016 343834107 /nfs/dbraw/zinc/83/41/07/343834107.db2.gz ZOSGZYINQKJKGI-NSHDSACASA-N -1 3 293.323 1.370 20 5 CDBDHM O=[N+]([O-])c1ccc(CSCCc2nnn[n-]2)c(F)c1 ZINC000603341145 344772835 /nfs/dbraw/zinc/77/28/35/344772835.db2.gz YCUJFCUJDRRMJA-UHFFFAOYSA-N -1 3 283.288 1.723 20 5 CDBDHM O=[N+]([O-])c1ccc(CSCCc2nn[n-]n2)c(F)c1 ZINC000603341145 344772837 /nfs/dbraw/zinc/77/28/37/344772837.db2.gz YCUJFCUJDRRMJA-UHFFFAOYSA-N -1 3 283.288 1.723 20 5 CDBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]O[C@@H]1CCOC1 ZINC000493481478 356285022 /nfs/dbraw/zinc/28/50/22/356285022.db2.gz GFJAQEDAQSRBRQ-JRBALWBOSA-N -1 3 296.254 1.584 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1n[nH]c(C)n1 ZINC000164868482 356305426 /nfs/dbraw/zinc/30/54/26/356305426.db2.gz VERTZSWWFPQGCD-UHFFFAOYSA-N -1 3 277.240 1.282 20 5 CDBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OC[C@H]1CCOC1 ZINC000187863975 357816692 /nfs/dbraw/zinc/81/66/92/357816692.db2.gz WSRKNZQFCASETK-QRGHLMKCSA-N -1 3 292.291 1.692 20 5 CDBDHM CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000566511259 358028364 /nfs/dbraw/zinc/02/83/64/358028364.db2.gz NSELMGFJTHGBHG-QWHCGFSZSA-N -1 3 294.307 1.659 20 5 CDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000386875806 367051274 /nfs/dbraw/zinc/05/12/74/367051274.db2.gz LKUPQIZGWIUGAT-RKDXNWHRSA-N -1 3 288.325 1.033 20 5 CDBDHM O=C([N-]N1CCCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000299656974 375191080 /nfs/dbraw/zinc/19/10/80/375191080.db2.gz WTHDQKBNCXDQOU-UHFFFAOYSA-N -1 3 263.253 1.252 20 5 CDBDHM C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1C ZINC000262413825 190054499 /nfs/dbraw/zinc/05/44/99/190054499.db2.gz QUTSUXQAZOYGJK-BDAKNGLRSA-N -1 3 279.296 1.123 20 5 CDBDHM CC(C)(O)CON=C([O-])Nc1cccc([N+](=O)[O-])c1 ZINC000278722759 194122736 /nfs/dbraw/zinc/12/27/36/194122736.db2.gz VEZNGDLMUVXJJR-UHFFFAOYSA-N -1 3 269.257 1.419 20 5 CDBDHM CC(C)(O)CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000278722759 194122737 /nfs/dbraw/zinc/12/27/37/194122737.db2.gz VEZNGDLMUVXJJR-UHFFFAOYSA-N -1 3 269.257 1.419 20 5 CDBDHM COc1cc(CN(C)C(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000568067050 391575815 /nfs/dbraw/zinc/57/58/15/391575815.db2.gz KPAHLETZWJHOMM-UHFFFAOYSA-N -1 3 282.296 1.898 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccccc1[N+](=O)[O-] ZINC000522251807 392876331 /nfs/dbraw/zinc/87/63/31/392876331.db2.gz DCDGXWUUQRVMOL-VIFPVBQESA-N -1 3 262.269 1.519 20 5 CDBDHM Cc1conc1[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182574623 148263206 /nfs/dbraw/zinc/26/32/06/148263206.db2.gz WAJHKZWIJHOAMM-UHFFFAOYSA-N -1 3 291.219 1.872 20 5 CDBDHM O=C(Nc1ccc2[nH]cnc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352650752 155326405 /nfs/dbraw/zinc/32/64/05/155326405.db2.gz ZESRLOBYIXUZCD-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM O=C(Nc1ccc2nc[nH]c2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352650752 155326409 /nfs/dbraw/zinc/32/64/09/155326409.db2.gz ZESRLOBYIXUZCD-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000337020662 527323095 /nfs/dbraw/zinc/32/30/95/527323095.db2.gz QUJMKTLNOCZMBP-UHFFFAOYSA-N -1 3 294.218 1.222 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000337020662 527323103 /nfs/dbraw/zinc/32/31/03/527323103.db2.gz QUJMKTLNOCZMBP-UHFFFAOYSA-N -1 3 294.218 1.222 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000337020662 527323106 /nfs/dbraw/zinc/32/31/06/527323106.db2.gz QUJMKTLNOCZMBP-UHFFFAOYSA-N -1 3 294.218 1.222 20 5 CDBDHM CCC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736436465 575660570 /nfs/dbraw/zinc/66/05/70/575660570.db2.gz RFHVNONUZGXEAY-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736436465 575660573 /nfs/dbraw/zinc/66/05/73/575660573.db2.gz RFHVNONUZGXEAY-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000820767125 606418084 /nfs/dbraw/zinc/41/80/84/606418084.db2.gz GKSOJKRCCYZTKK-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000820767125 606418085 /nfs/dbraw/zinc/41/80/85/606418085.db2.gz GKSOJKRCCYZTKK-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000820775005 606418500 /nfs/dbraw/zinc/41/85/00/606418500.db2.gz HMOKMEDMYMWXDZ-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1C ZINC000820775005 606418502 /nfs/dbraw/zinc/41/85/02/606418502.db2.gz HMOKMEDMYMWXDZ-IUCAKERBSA-N -1 3 288.311 1.867 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826499718 607891248 /nfs/dbraw/zinc/89/12/48/607891248.db2.gz UMAFTVDCANRRCP-UHFFFAOYSA-N -1 3 288.242 1.764 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826499718 607891249 /nfs/dbraw/zinc/89/12/49/607891249.db2.gz UMAFTVDCANRRCP-UHFFFAOYSA-N -1 3 288.242 1.764 20 5 CDBDHM Cn1ncnc1[N-]C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000151046377 630340089 /nfs/dbraw/zinc/34/00/89/630340089.db2.gz SNHWUAZTANDDMO-UHFFFAOYSA-N -1 3 283.194 1.254 20 5 CDBDHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000853377731 687002999 /nfs/dbraw/zinc/00/29/99/687002999.db2.gz DQNQSCCQVVTHAZ-LBPRGKRZSA-N -1 3 279.252 1.608 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC001607082366 1164072008 /nfs/dbraw/zinc/07/20/08/1164072008.db2.gz PMTCQNKFCXNZRO-AYMMMOKOSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC001607082366 1164072016 /nfs/dbraw/zinc/07/20/16/1164072016.db2.gz PMTCQNKFCXNZRO-AYMMMOKOSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1cc[nH]n1 ZINC001607084595 1164073032 /nfs/dbraw/zinc/07/30/32/1164073032.db2.gz OKTJXBHENSVSMK-UHFFFAOYSA-N -1 3 286.255 1.110 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1cc[nH]n1 ZINC001607084595 1164073040 /nfs/dbraw/zinc/07/30/40/1164073040.db2.gz OKTJXBHENSVSMK-UHFFFAOYSA-N -1 3 286.255 1.110 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccco1 ZINC001582804095 1172692317 /nfs/dbraw/zinc/69/23/17/1172692317.db2.gz ISNQZZZDLXRJHB-UHFFFAOYSA-N -1 3 286.251 1.980 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccco1 ZINC001582804095 1172692322 /nfs/dbraw/zinc/69/23/22/1172692322.db2.gz ISNQZZZDLXRJHB-UHFFFAOYSA-N -1 3 286.251 1.980 20 5 CDBDHM C[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590264620 1173328284 /nfs/dbraw/zinc/32/82/84/1173328284.db2.gz OLYFLHZHHSKDOF-ZETCQYMHSA-N -1 3 275.272 1.159 20 5 CDBDHM C[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590264620 1173328292 /nfs/dbraw/zinc/32/82/92/1173328292.db2.gz OLYFLHZHHSKDOF-ZETCQYMHSA-N -1 3 275.272 1.159 20 5 CDBDHM CC[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590859966 1173531688 /nfs/dbraw/zinc/53/16/88/1173531688.db2.gz DXIIWGKIMPZMJQ-SFYZADRCSA-N -1 3 289.299 1.628 20 5 CDBDHM CC[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590859966 1173531691 /nfs/dbraw/zinc/53/16/91/1173531691.db2.gz DXIIWGKIMPZMJQ-SFYZADRCSA-N -1 3 289.299 1.628 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Sc1ncco1 ZINC001593483298 1174084573 /nfs/dbraw/zinc/08/45/73/1174084573.db2.gz NPBGKFPJLJGMDR-UHFFFAOYSA-N -1 3 290.264 1.914 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Sc1ncco1 ZINC001593483298 1174084581 /nfs/dbraw/zinc/08/45/81/1174084581.db2.gz NPBGKFPJLJGMDR-UHFFFAOYSA-N -1 3 290.264 1.914 20 5 CDBDHM C[C@H](CO)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603566416 1175565127 /nfs/dbraw/zinc/56/51/27/1175565127.db2.gz LODXOBIPOJQVNQ-ZCFIWIBFSA-N -1 3 281.297 1.248 20 5 CDBDHM C[C@H](CO)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603566416 1175565133 /nfs/dbraw/zinc/56/51/33/1175565133.db2.gz LODXOBIPOJQVNQ-ZCFIWIBFSA-N -1 3 281.297 1.248 20 5 CDBDHM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCC[N+](=O)[O-] ZINC001608540584 1164537823 /nfs/dbraw/zinc/53/78/23/1164537823.db2.gz RVUXGYRDGGVUGG-NSHDSACASA-N -1 3 278.264 1.295 20 5 CDBDHM Cc1cc(S(=O)(=O)[N-]C2(C)CC2)c(F)cc1[N+](=O)[O-] ZINC001348561307 896094527 /nfs/dbraw/zinc/09/45/27/896094527.db2.gz IOMLODIELHBLMG-UHFFFAOYSA-N -1 3 288.300 1.873 20 5 CDBDHM C=CC(=O)OC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666041 903637281 /nfs/dbraw/zinc/63/72/81/903637281.db2.gz FSZGERROOFTWNS-ZETCQYMHSA-N -1 3 268.225 1.192 20 5 CDBDHM CC/C=C(\C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093502537 909922160 /nfs/dbraw/zinc/92/21/60/909922160.db2.gz YUBLYBVIJCCVTN-RUDMXATFSA-N -1 3 294.311 1.580 20 5 CDBDHM Cc1nn(C)cc1[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225659954 941894941 /nfs/dbraw/zinc/89/49/41/941894941.db2.gz ATOCKGPCXVGGDT-MRVPVSSYSA-N -1 3 278.268 1.877 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@H]2COC(C)(C)O2)c1[N+](=O)[O-] ZINC001228686517 942357208 /nfs/dbraw/zinc/35/72/08/942357208.db2.gz NTURPRPGNUXZLN-QMMMGPOBSA-N -1 3 284.268 1.534 20 5 CDBDHM CCOC(=O)C[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686017 942357689 /nfs/dbraw/zinc/35/76/89/942357689.db2.gz LHFKIABQGAFRNE-SSDOTTSWSA-N -1 3 284.268 1.724 20 5 CDBDHM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CN3CCC2CC3)[n-]1 ZINC001231260606 942835986 /nfs/dbraw/zinc/83/59/86/942835986.db2.gz UKWRMDKFYLZHTO-NSHDSACASA-N -1 3 279.296 1.477 20 5 CDBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CN3CCC2CC3)n1 ZINC001231260606 942835990 /nfs/dbraw/zinc/83/59/90/942835990.db2.gz UKWRMDKFYLZHTO-NSHDSACASA-N -1 3 279.296 1.477 20 5 CDBDHM CC(C)[C@H](CO)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591859139 976153934 /nfs/dbraw/zinc/15/39/34/976153934.db2.gz OMQGJESRDSCUSB-NSHDSACASA-N -1 3 282.296 1.400 20 5 CDBDHM C[C@@H](N[C@H]1CCO[C@H]1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001593357882 995013113 /nfs/dbraw/zinc/01/31/13/995013113.db2.gz YKUQJUAWHIJBHM-UBHAPETDSA-N -1 3 280.280 1.488 20 5 CDBDHM COc1cc(CN(C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000573743772 361926450 /nfs/dbraw/zinc/92/64/50/361926450.db2.gz RAETXUJIPVJJDV-UHFFFAOYSA-N -1 3 268.269 1.510 20 5 CDBDHM O=C(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])NC1CC1 ZINC000596076333 343226250 /nfs/dbraw/zinc/22/62/50/343226250.db2.gz PPESNWVIZIYWCA-UHFFFAOYSA-N -1 3 280.284 1.166 20 5 CDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc([O-])c1F ZINC000536462890 282314499 /nfs/dbraw/zinc/31/44/99/282314499.db2.gz JPBBBWWBOKCNNG-UHFFFAOYSA-N -1 3 280.215 1.275 20 5 CDBDHM CN(C)C1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000397891037 362512814 /nfs/dbraw/zinc/51/28/14/362512814.db2.gz OUCSPAQCCPVRED-UHFFFAOYSA-N -1 3 279.296 1.799 20 5 CDBDHM CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000182125771 189314354 /nfs/dbraw/zinc/31/43/54/189314354.db2.gz HGFMYAJRBWIHNK-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM COc1cc(CO[N-]C(C)=O)c([N+](=O)[O-])cc1F ZINC000183961875 189373065 /nfs/dbraw/zinc/37/30/65/189373065.db2.gz RRJPKWUTWHISGF-UHFFFAOYSA-N -1 3 258.205 1.310 20 5 CDBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCF)c1[N+](=O)[O-] ZINC000170611290 364270500 /nfs/dbraw/zinc/27/05/00/364270500.db2.gz ZILSYEPZASZPOW-UHFFFAOYSA-N -1 3 290.316 1.850 20 5 CDBDHM O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331463986 374957234 /nfs/dbraw/zinc/95/72/34/374957234.db2.gz HENBTMFAEQMFOC-SNVBAGLBSA-N -1 3 291.307 1.267 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1CCC1 ZINC000030360196 375586883 /nfs/dbraw/zinc/58/68/83/375586883.db2.gz JJGDTAISSATUJF-UHFFFAOYSA-N -1 3 270.310 1.673 20 5 CDBDHM C[C@@H](Nc1nc2[nH][n-]cc-2c(=N)n1)c1ccccc1[N+](=O)[O-] ZINC000354564645 391919973 /nfs/dbraw/zinc/91/99/73/391919973.db2.gz BZTGXVKTWQVMLS-SSDOTTSWSA-N -1 3 299.294 1.220 20 5 CDBDHM O=C([N-]c1cnccn1)c1ccc([N+](=O)[O-])s1 ZINC000192860768 392248203 /nfs/dbraw/zinc/24/82/03/392248203.db2.gz WZOFZWGTNCXAKJ-UHFFFAOYSA-N -1 3 250.239 1.699 20 5 CDBDHM CN(C[C@@H]1CCCN1C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000422044417 392950193 /nfs/dbraw/zinc/95/01/93/392950193.db2.gz XTBLRSJKROTJPQ-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM COc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186852102 140070787 /nfs/dbraw/zinc/07/07/87/140070787.db2.gz RUBGLUFQNVMIDZ-UHFFFAOYSA-N -1 3 289.247 1.956 20 5 CDBDHM O=C(Nc1cccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188040522 140086497 /nfs/dbraw/zinc/08/64/97/140086497.db2.gz JHAUNDHASHDUMH-UHFFFAOYSA-N -1 3 260.209 1.343 20 5 CDBDHM CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000217315948 140162903 /nfs/dbraw/zinc/16/29/03/140162903.db2.gz MBHXJDDVFTYFBJ-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM O=[N+]([O-])c1cnn(CC[S@](=O)c2cccc([O-])c2)c1 ZINC000184053875 148326784 /nfs/dbraw/zinc/32/67/84/148326784.db2.gz VMTVCCQMLQTOLA-IBGZPJMESA-N -1 3 281.293 1.305 20 5 CDBDHM C[C@H](CN(C)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000044415539 175173062 /nfs/dbraw/zinc/17/30/62/175173062.db2.gz CLZXNSLCPHGXJF-SECBINFHSA-N -1 3 252.270 1.747 20 5 CDBDHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1c[nH]nc1[N+](=O)[O-] ZINC000554858463 290195040 /nfs/dbraw/zinc/19/50/40/290195040.db2.gz RNFMIHVWFNQNIV-UHFFFAOYSA-N -1 3 299.246 1.647 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)CC(=O)[O-] ZINC000575003062 295087959 /nfs/dbraw/zinc/08/79/59/295087959.db2.gz CCUCAZPNTUUKJT-SECBINFHSA-N -1 3 282.296 1.898 20 5 CDBDHM O=C([O-])[C@@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000054523477 527654454 /nfs/dbraw/zinc/65/44/54/527654454.db2.gz CFPITUSGAGCEKE-NSHDSACASA-N -1 3 250.254 1.548 20 5 CDBDHM CN(CC(C)(C)C)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736788768 575745536 /nfs/dbraw/zinc/74/55/36/575745536.db2.gz OGTTXRQOXZDHPZ-UHFFFAOYSA-N -1 3 291.315 1.652 20 5 CDBDHM CN(CC(C)(C)C)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736788768 575745538 /nfs/dbraw/zinc/74/55/38/575745538.db2.gz OGTTXRQOXZDHPZ-UHFFFAOYSA-N -1 3 291.315 1.652 20 5 CDBDHM O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[C@H]32)c(-c2nnn[n-]2)c1 ZINC000738368701 576063189 /nfs/dbraw/zinc/06/31/89/576063189.db2.gz IWRRAFYMXHEACF-OIBJUYFYSA-N -1 3 287.283 1.159 20 5 CDBDHM O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[C@H]32)c(-c2nn[n-]n2)c1 ZINC000738368701 576063194 /nfs/dbraw/zinc/06/31/94/576063194.db2.gz IWRRAFYMXHEACF-OIBJUYFYSA-N -1 3 287.283 1.159 20 5 CDBDHM O=C([N-]c1ccon1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000755768380 576959909 /nfs/dbraw/zinc/95/99/09/576959909.db2.gz HHIMXXXTKKGFTD-UHFFFAOYSA-N -1 3 251.173 1.974 20 5 CDBDHM Cc1c(CC(=O)[N-]OCC(F)F)cccc1[N+](=O)[O-] ZINC000759328072 577169234 /nfs/dbraw/zinc/16/92/34/577169234.db2.gz LQNJYLMVHBSXRP-UHFFFAOYSA-N -1 3 274.223 1.759 20 5 CDBDHM COC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821682986 607345180 /nfs/dbraw/zinc/34/51/80/607345180.db2.gz RZFWLXOQLMQHDV-SSDOTTSWSA-N -1 3 278.272 1.222 20 5 CDBDHM CC[C@H]1CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000891563152 617481103 /nfs/dbraw/zinc/48/11/03/617481103.db2.gz ZJVMTKLYUQYUTF-NSHDSACASA-N -1 3 296.323 1.920 20 5 CDBDHM CCO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000896404886 620088651 /nfs/dbraw/zinc/08/86/51/620088651.db2.gz HMIBUZOIRXKPKA-QMMMGPOBSA-N -1 3 253.258 1.311 20 5 CDBDHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000903600672 626031036 /nfs/dbraw/zinc/03/10/36/626031036.db2.gz CFPOADMTRSXLRN-AWEZNQCLSA-N -1 3 293.323 1.923 20 5 CDBDHM Cc1cc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000800666098 688783036 /nfs/dbraw/zinc/78/30/36/688783036.db2.gz SPAFXIFHILYFGM-UHFFFAOYSA-N -1 3 291.219 1.872 20 5 CDBDHM CC(C)(CCC(=O)[N-]OCCOc1ccccc1)[N+](=O)[O-] ZINC000889445064 692397493 /nfs/dbraw/zinc/39/74/93/692397493.db2.gz NFTWQKOTCQEYFK-UHFFFAOYSA-N -1 3 296.323 1.949 20 5 CDBDHM O=c1[n-]ccc(N2CCC(c3cn[nH]c3)CC2)c1[N+](=O)[O-] ZINC000853247783 692723222 /nfs/dbraw/zinc/72/32/22/692723222.db2.gz ARQRTTIXTVCYDA-UHFFFAOYSA-N -1 3 289.295 1.803 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@H]1C=CCC1 ZINC001607081525 1164070343 /nfs/dbraw/zinc/07/03/43/1164070343.db2.gz FWRYDGKVDJVBMI-VIFPVBQESA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@H]1C=CCC1 ZINC001607081525 1164070349 /nfs/dbraw/zinc/07/03/49/1164070349.db2.gz FWRYDGKVDJVBMI-VIFPVBQESA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1cc(N2C[C@@H](F)[C@@H](F)C2)ccc1-c1nnn[n-]1 ZINC001607079496 1164071922 /nfs/dbraw/zinc/07/19/22/1164071922.db2.gz JANDHGPSDZXOHI-DTORHVGOSA-N -1 3 296.237 1.271 20 5 CDBDHM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001608816799 1164649071 /nfs/dbraw/zinc/64/90/71/1164649071.db2.gz GLJKBSYLEHWZKQ-GDNZZTSVSA-N -1 3 262.265 1.357 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CO1 ZINC001609158391 1164804641 /nfs/dbraw/zinc/80/46/41/1164804641.db2.gz YPVHZUJKYZVYIH-HTQZYQBOSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CO1 ZINC001609158391 1164804650 /nfs/dbraw/zinc/80/46/50/1164804650.db2.gz YPVHZUJKYZVYIH-HTQZYQBOSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@H]1C(F)F ZINC001593470220 1174078475 /nfs/dbraw/zinc/07/84/75/1174078475.db2.gz KREPUSHAUYKOFH-ZCFIWIBFSA-N -1 3 297.225 1.014 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@H]1C(F)F ZINC001593470220 1174078479 /nfs/dbraw/zinc/07/84/79/1174078479.db2.gz KREPUSHAUYKOFH-ZCFIWIBFSA-N -1 3 297.225 1.014 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1CC1 ZINC001593473830 1174080817 /nfs/dbraw/zinc/08/08/17/1174080817.db2.gz CBPAGWQBKSXMGR-UHFFFAOYSA-N -1 3 260.257 1.597 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1CC1 ZINC001593473830 1174080824 /nfs/dbraw/zinc/08/08/24/1174080824.db2.gz CBPAGWQBKSXMGR-UHFFFAOYSA-N -1 3 260.257 1.597 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCCC1CCC1 ZINC001593471141 1174082660 /nfs/dbraw/zinc/08/26/60/1174082660.db2.gz OFWSUBQPMOPVHR-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCCC1CCC1 ZINC001593471141 1174082669 /nfs/dbraw/zinc/08/26/69/1174082669.db2.gz OFWSUBQPMOPVHR-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM C[C@@H](CO)[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603566783 1175565459 /nfs/dbraw/zinc/56/54/59/1175565459.db2.gz VSCPHDQFWQWJMQ-YUMQZZPRSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H](CO)[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603566783 1175565467 /nfs/dbraw/zinc/56/54/67/1175565467.db2.gz VSCPHDQFWQWJMQ-YUMQZZPRSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001603950148 1175694488 /nfs/dbraw/zinc/69/44/88/1175694488.db2.gz ZUUYSUVTMSXQIN-HQJQHLMTSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001603950148 1175694491 /nfs/dbraw/zinc/69/44/91/1175694491.db2.gz ZUUYSUVTMSXQIN-HQJQHLMTSA-N -1 3 290.283 1.222 20 5 CDBDHM CC(COC(=O)Cc1cccc(C(=O)[O-])c1)[N+](=O)[O-] ZINC001609754173 1165069431 /nfs/dbraw/zinc/06/94/31/1165069431.db2.gz SKFWTPLVYLUPSM-MRVPVSSYSA-N -1 3 267.237 1.136 20 5 CDBDHM Cc1nonc1[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000060855212 911966042 /nfs/dbraw/zinc/96/60/42/911966042.db2.gz AENHXNMELKQUDH-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM CCC(=O)NCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001101267104 936964568 /nfs/dbraw/zinc/96/45/68/936964568.db2.gz NCHXQWXTXLYWQA-UHFFFAOYSA-N -1 3 294.311 1.190 20 5 CDBDHM NC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1O ZINC001201230934 926223267 /nfs/dbraw/zinc/22/32/67/926223267.db2.gz BHWHPNXPSBDPCA-UHFFFAOYSA-N -1 3 289.247 1.849 20 5 CDBDHM CN(C)C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804328528 928155843 /nfs/dbraw/zinc/15/58/43/928155843.db2.gz LRVYJRJIRNROEZ-UHFFFAOYSA-N -1 3 268.229 1.003 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000884743146 930632772 /nfs/dbraw/zinc/63/27/72/930632772.db2.gz WGFPYFHUJKPESK-MWLCHTKSSA-N -1 3 279.296 1.701 20 5 CDBDHM Cc1ncc(Nc2ccc3cccc([N+](=O)[O-])c3n2)c(=O)[n-]1 ZINC001162299758 938974416 /nfs/dbraw/zinc/97/44/16/938974416.db2.gz CMWGFMYVNBBHOE-SNVBAGLBSA-N -1 3 297.274 1.953 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1NCCCc1c[n-][nH]c1=O ZINC001164375618 939468063 /nfs/dbraw/zinc/46/80/63/939468063.db2.gz VHRVEYBLYVAIRQ-SNVBAGLBSA-N -1 3 276.296 1.827 20 5 CDBDHM O=C1OCCC[C@H]1Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226332570 941987961 /nfs/dbraw/zinc/98/79/61/941987961.db2.gz CHQVJTNCPMADBB-SECBINFHSA-N -1 3 253.210 1.385 20 5 CDBDHM Cc1cc2[n-]c(O[C@@H](C)CON)nc2cc1[N+](=O)[O-] ZINC001228674574 942353953 /nfs/dbraw/zinc/35/39/53/942353953.db2.gz JVWGOZFRVBMGQL-ZETCQYMHSA-N -1 3 266.257 1.437 20 5 CDBDHM O=[N+]([O-])c1cc2[n-]c(OC3COC3)nc2cc1Cl ZINC001233501403 943603751 /nfs/dbraw/zinc/60/37/51/943603751.db2.gz ZDEJSGLLZHCSQV-UHFFFAOYSA-N -1 3 269.644 1.902 20 5 CDBDHM Cc1ncc(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001254548063 947518874 /nfs/dbraw/zinc/51/88/74/947518874.db2.gz GFEMHTWXYFHXEZ-CABZTGNLSA-N -1 3 288.307 1.513 20 5 CDBDHM CC(COC(=O)[C@H](C(=O)[O-])C1CCCC1)[N+](=O)[O-] ZINC001589075740 955809359 /nfs/dbraw/zinc/80/93/59/955809359.db2.gz UCEHMLPNCPOSGN-CBAPKCEASA-N -1 3 259.258 1.086 20 5 CDBDHM CCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001577513872 1171688181 /nfs/dbraw/zinc/68/81/81/1171688181.db2.gz ABWZKOJNGKCWLE-UHFFFAOYSA-N -1 3 277.288 1.569 20 5 CDBDHM CCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001577513872 1171688185 /nfs/dbraw/zinc/68/81/85/1171688185.db2.gz ABWZKOJNGKCWLE-UHFFFAOYSA-N -1 3 277.288 1.569 20 5 CDBDHM CCN1CCC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162387400 342073215 /nfs/dbraw/zinc/07/32/15/342073215.db2.gz HFPCWTVCANVQPF-JTQLQIEISA-N -1 3 294.311 1.584 20 5 CDBDHM CC1(C)CN[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000592558215 342709663 /nfs/dbraw/zinc/70/96/63/342709663.db2.gz BEUNXKJLLYQAKI-SNVBAGLBSA-N -1 3 265.269 1.237 20 5 CDBDHM CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000436917780 362123318 /nfs/dbraw/zinc/12/33/18/362123318.db2.gz FGQDYPVEZSNZOY-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCN1C ZINC000436918727 362128687 /nfs/dbraw/zinc/12/86/87/362128687.db2.gz JSTLVZCHRLITNW-JOYOIKCWSA-N -1 3 293.323 1.513 20 5 CDBDHM Cn1cc(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596105522 343228695 /nfs/dbraw/zinc/22/86/95/343228695.db2.gz 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CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)n1 ZINC000478687685 359178268 /nfs/dbraw/zinc/17/82/68/359178268.db2.gz KBLNICUTIBYMBY-UHFFFAOYSA-N -1 3 286.298 1.144 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])cc1F ZINC000563941611 365337063 /nfs/dbraw/zinc/33/70/63/365337063.db2.gz QUMRUNFZKVNJLV-SECBINFHSA-N -1 3 280.259 1.658 20 5 CDBDHM CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000037064516 371682047 /nfs/dbraw/zinc/68/20/47/371682047.db2.gz RWFRYEZZUNMUKX-UHFFFAOYSA-N -1 3 272.326 1.900 20 5 CDBDHM CC(C)(CCC(=O)[N-]OC/C=C/Cl)[N+](=O)[O-] ZINC000296025017 372088864 /nfs/dbraw/zinc/08/88/64/372088864.db2.gz MCQPTMAFCNKNQW-ZZXKWVIFSA-N -1 3 250.682 1.622 20 5 CDBDHM CCn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000192922079 373638381 /nfs/dbraw/zinc/63/83/81/373638381.db2.gz BOUMMVALEQJAAW-UHFFFAOYSA-N -1 3 277.240 1.164 20 5 CDBDHM CC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000289559966 197402966 /nfs/dbraw/zinc/40/29/66/197402966.db2.gz OWHHAAIIGCCMFD-SECBINFHSA-N 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O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc([O-])cc1O ZINC000748107989 576895895 /nfs/dbraw/zinc/89/58/95/576895895.db2.gz GFEKZOAGENFOPR-UHFFFAOYSA-N -1 3 293.235 1.060 20 5 CDBDHM CC1=CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000824860905 607903771 /nfs/dbraw/zinc/90/37/71/607903771.db2.gz ZBCSHRAODORLJW-UHFFFAOYSA-N -1 3 286.295 1.931 20 5 CDBDHM CC1=CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000824860905 607903772 /nfs/dbraw/zinc/90/37/72/607903772.db2.gz ZBCSHRAODORLJW-UHFFFAOYSA-N -1 3 286.295 1.931 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cnn[n-]1 ZINC000805605520 695916941 /nfs/dbraw/zinc/91/69/41/695916941.db2.gz JMGDBAJSEAYZAX-UHFFFAOYSA-N -1 3 278.224 1.079 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1COC(=O)c1c[n-]nn1 ZINC000805605520 695916947 /nfs/dbraw/zinc/91/69/47/695916947.db2.gz JMGDBAJSEAYZAX-UHFFFAOYSA-N -1 3 278.224 1.079 20 5 CDBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](C)O ZINC001590473500 1173424465 /nfs/dbraw/zinc/42/44/65/1173424465.db2.gz OOVYLXVKAZVXGK-APPZFPTMSA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](C)O ZINC001590473500 1173424469 /nfs/dbraw/zinc/42/44/69/1173424469.db2.gz OOVYLXVKAZVXGK-APPZFPTMSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1cn(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(C)n1 ZINC001592287412 1173847167 /nfs/dbraw/zinc/84/71/67/1173847167.db2.gz KVPJBPGFIJTCLY-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1cn(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(C)n1 ZINC001592287412 1173847172 /nfs/dbraw/zinc/84/71/72/1173847172.db2.gz KVPJBPGFIJTCLY-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1c[nH]c(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001592294087 1173847945 /nfs/dbraw/zinc/84/79/45/1173847945.db2.gz WRGOTYKVCSALEP-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM Cc1c[nH]c(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001592294087 1173847947 /nfs/dbraw/zinc/84/79/47/1173847947.db2.gz WRGOTYKVCSALEP-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC(C2CC2)C1 ZINC001593474075 1174081649 /nfs/dbraw/zinc/08/16/49/1174081649.db2.gz DTNCJQBBYVQZAQ-UHFFFAOYSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC(C2CC2)C1 ZINC001593474075 1174081656 /nfs/dbraw/zinc/08/16/56/1174081656.db2.gz DTNCJQBBYVQZAQ-UHFFFAOYSA-N -1 3 286.295 1.621 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC[C@H]2C2CC2)ccc1-c1nnn[n-]1 ZINC001593471659 1174082867 /nfs/dbraw/zinc/08/28/67/1174082867.db2.gz RETVNRIWFDGWCJ-NSHDSACASA-N -1 3 286.295 1.764 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccon2)c1 ZINC000179530703 724319564 /nfs/dbraw/zinc/31/95/64/724319564.db2.gz CDDHEMMJTSYJLH-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM CCC(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057264657 724342530 /nfs/dbraw/zinc/34/25/30/724342530.db2.gz RZNLIGGCAQVYMB-UHFFFAOYSA-N -1 3 294.311 1.508 20 5 CDBDHM CC(C)(O)c1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000811618139 724740160 /nfs/dbraw/zinc/74/01/60/724740160.db2.gz 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COc1nc(C)c([N+](=O)[O-])c(NCc2ncccc2[O-])n1 ZINC001158774271 938662775 /nfs/dbraw/zinc/66/27/75/938662775.db2.gz JWLRZVMKXZIMLG-UHFFFAOYSA-N -1 3 291.267 1.415 20 5 CDBDHM Cc1c(NCCCc2c[n-][nH]c2=O)cc(F)cc1[N+](=O)[O-] ZINC001164374594 939467591 /nfs/dbraw/zinc/46/75/91/939467591.db2.gz NUUWXKJBALNTPQ-VIFPVBQESA-N -1 3 294.286 1.966 20 5 CDBDHM O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203568990 939693705 /nfs/dbraw/zinc/69/37/05/939693705.db2.gz MKGSGDVSTRBHAO-UHFFFAOYSA-N -1 3 278.184 1.333 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001211285986 940745506 /nfs/dbraw/zinc/74/55/06/940745506.db2.gz NIOGVIQLONPYLG-UHFFFAOYSA-N -1 3 277.240 1.430 20 5 CDBDHM C[C@H](C[N+](C)(C)C)OCCCCP(=O)([O-])[O-] ZINC001225019269 941815078 /nfs/dbraw/zinc/81/50/78/941815078.db2.gz VJHQAKGXLJWOEG-SNVBAGLBSA-O -1 3 254.287 1.056 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCn2ccnc21 ZINC001225663203 941895606 /nfs/dbraw/zinc/89/56/06/941895606.db2.gz ZZXKIMRVOXOMEU-QMMMGPOBSA-N -1 3 262.225 1.416 20 5 CDBDHM COC(=O)[C@H]1C[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741612 942216317 /nfs/dbraw/zinc/21/63/17/942216317.db2.gz OZBGVZMFEPJYTM-OTSSQURYSA-N -1 3 291.263 1.802 20 5 CDBDHM COC(=O)[C@H]1C[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741612 942216321 /nfs/dbraw/zinc/21/63/21/942216321.db2.gz OZBGVZMFEPJYTM-OTSSQURYSA-N -1 3 291.263 1.802 20 5 CDBDHM Cc1cc2[n-]c(OC[C@H]3CCO3)nc2cc1[N+](=O)[O-] ZINC001228675457 942353662 /nfs/dbraw/zinc/35/36/62/942353662.db2.gz QCKQVAKMWLQFOC-MRVPVSSYSA-N -1 3 263.253 1.947 20 5 CDBDHM Cc1ncc(Nc2cc([N+](=O)[O-])cnc2C)c(=O)[n-]1 ZINC001249544850 949658370 /nfs/dbraw/zinc/65/83/70/949658370.db2.gz MZYCENFBBRAGIJ-UHFFFAOYSA-N -1 3 261.241 1.846 20 5 CDBDHM CCN(CC(=O)[O-])Cc1ccc(F)cc1[N+](=O)[O-] ZINC000692778126 976544457 /nfs/dbraw/zinc/54/44/57/976544457.db2.gz XGZLJWMDWHDGNW-UHFFFAOYSA-N -1 3 256.233 1.640 20 5 CDBDHM CC(COC(=O)Cc1ccc(C(=O)[O-])cc1)[N+](=O)[O-] ZINC001592765634 979372982 /nfs/dbraw/zinc/37/29/82/979372982.db2.gz WYAVDSXBXZPADQ-MRVPVSSYSA-N -1 3 267.237 1.136 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001593486197 1174084843 /nfs/dbraw/zinc/08/48/43/1174084843.db2.gz MBPRMQLEHDLIRQ-UHFFFAOYSA-N -1 3 277.269 1.081 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccsc1[N+](=O)[O-] ZINC000601195599 342488883 /nfs/dbraw/zinc/48/88/83/342488883.db2.gz QJODPLXFZUZWOR-SSDOTTSWSA-N -1 3 268.298 1.580 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ccsc1[N+](=O)[O-])C2 ZINC000601140761 342479953 /nfs/dbraw/zinc/47/99/53/342479953.db2.gz AOWBGZKJQZMAQV-UHFFFAOYSA-N -1 3 278.293 1.715 20 5 CDBDHM CC[C@@H](N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000564937004 365552118 /nfs/dbraw/zinc/55/21/18/365552118.db2.gz ZFKGMNUTHUTVQW-ZCFIWIBFSA-N -1 3 273.676 1.630 20 5 CDBDHM CC(C)[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1 ZINC000592245348 342681098 /nfs/dbraw/zinc/68/10/98/342681098.db2.gz GXTWTARHRCGVOI-LLVKDONJSA-N -1 3 293.323 1.370 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](CO)CC1 ZINC000339756976 361875676 /nfs/dbraw/zinc/87/56/76/361875676.db2.gz ZNEKLQQFXBRFDW-LLVKDONJSA-N -1 3 280.324 1.895 20 5 CDBDHM COc1ccc([N-]C(=O)c2cnco2)cc1[N+](=O)[O-] ZINC000611891358 346900881 /nfs/dbraw/zinc/90/08/81/346900881.db2.gz CHCPXMFXCPNNDV-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM COc1cc(CN[C@@H]2C[C@]2(C)OC)c([N+](=O)[O-])cc1[O-] ZINC000594997034 342994929 /nfs/dbraw/zinc/99/49/29/342994929.db2.gz XIPGBHHASLTPKD-OLZOCXBDSA-N -1 3 282.296 1.576 20 5 CDBDHM C[C@@H](CC[S@](C)=O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596139465 343241499 /nfs/dbraw/zinc/24/14/99/343241499.db2.gz AZSZMRPHPZMZSZ-VIIUKITBSA-N -1 3 273.314 1.264 20 5 CDBDHM CN(C)c1nc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC000596149342 343244990 /nfs/dbraw/zinc/24/49/90/343244990.db2.gz UJUTVHCXMDEXDL-UHFFFAOYSA-N -1 3 295.324 1.830 20 5 CDBDHM CC(C)OC(=O)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596219202 343269723 /nfs/dbraw/zinc/26/97/23/343269723.db2.gz PZMREDKOOICGCV-UHFFFAOYSA-N -1 3 283.284 1.839 20 5 CDBDHM CC(C)(C)n1ncnc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596227679 343272689 /nfs/dbraw/zinc/27/26/89/343272689.db2.gz SANQILFBKWKLHF-UHFFFAOYSA-N -1 3 292.299 1.654 20 5 CDBDHM CO[C@H]1COCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596253804 343275671 /nfs/dbraw/zinc/27/56/71/343275671.db2.gz XBVXUAXSDJMAOQ-WPRPVWTQSA-N -1 3 283.284 1.159 20 5 CDBDHM C[C@@H]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596266292 343279926 /nfs/dbraw/zinc/27/99/26/343279926.db2.gz PXTHSQRSMBHTME-SFYZADRCSA-N -1 3 253.258 1.675 20 5 CDBDHM COC(=O)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC1CC1 ZINC000596293911 343290401 /nfs/dbraw/zinc/29/04/01/343290401.db2.gz SIWCZHLCTBOZHV-VIFPVBQESA-N -1 3 295.295 1.697 20 5 CDBDHM O=C([N-]c1nn2cnnc2s1)c1ccccc1[N+](=O)[O-] ZINC000603467449 344809442 /nfs/dbraw/zinc/80/94/42/344809442.db2.gz ITYDAUAZWSULOJ-UHFFFAOYSA-N -1 3 290.264 1.346 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000609670116 345988703 /nfs/dbraw/zinc/98/87/03/345988703.db2.gz JMWYZNRTFCMLGM-VIFPVBQESA-N -1 3 277.284 1.222 20 5 CDBDHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156843149 188284136 /nfs/dbraw/zinc/28/41/36/188284136.db2.gz KENNHIZLDZMTIA-VIFPVBQESA-N -1 3 288.325 1.034 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000297227658 200120176 /nfs/dbraw/zinc/12/01/76/200120176.db2.gz OFCNPLRRAUFJKA-UHFFFAOYSA-N -1 3 288.687 1.681 20 5 CDBDHM CC(C)O[N-]C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000297242314 200123478 /nfs/dbraw/zinc/12/34/78/200123478.db2.gz PNNAQYOXNNITCC-UHFFFAOYSA-N -1 3 268.269 1.820 20 5 CDBDHM Cc1ccnc(N(C)C[C@@H](C)c2nnn[n-]2)c1[N+](=O)[O-] ZINC000095333343 360215891 /nfs/dbraw/zinc/21/58/91/360215891.db2.gz UNHBVUCNLODKCG-MRVPVSSYSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1ccnc(N(C)C[C@@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC000095333343 360215897 /nfs/dbraw/zinc/21/58/97/360215897.db2.gz UNHBVUCNLODKCG-MRVPVSSYSA-N -1 3 277.288 1.051 20 5 CDBDHM CCc1ccc(C(=O)[N-]N2CCCNC2=O)cc1[N+](=O)[O-] ZINC000272639370 367785608 /nfs/dbraw/zinc/78/56/08/367785608.db2.gz YFPPBVGEXMRNFB-UHFFFAOYSA-N -1 3 292.295 1.217 20 5 CDBDHM CC(C)O[N-]C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000295733533 370597207 /nfs/dbraw/zinc/59/72/07/370597207.db2.gz RTJDSIHGZZBQGE-UHFFFAOYSA-N -1 3 256.262 1.511 20 5 CDBDHM CC(C)n1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000280580775 375004857 /nfs/dbraw/zinc/00/48/57/375004857.db2.gz WVPYFOFNSCMNGX-UHFFFAOYSA-N -1 3 291.267 1.725 20 5 CDBDHM O=C([N-]O[C@H]1CCCCO1)c1ccc([N+](=O)[O-])s1 ZINC000299714953 375195264 /nfs/dbraw/zinc/19/52/64/375195264.db2.gz SEAOQDGZIAFGEY-VIFPVBQESA-N -1 3 272.282 1.844 20 5 CDBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000354611346 375733557 /nfs/dbraw/zinc/73/35/57/375733557.db2.gz BVNNMPZFUHMJRV-QMMMGPOBSA-N -1 3 297.292 1.622 20 5 CDBDHM COc1cc(CN[C@@H](C)CF)c([N+](=O)[O-])cc1[O-] ZINC000288506856 197097969 /nfs/dbraw/zinc/09/79/69/197097969.db2.gz SNKHFCWADLMCQQ-ZETCQYMHSA-N -1 3 258.249 1.757 20 5 CDBDHM CC[C@@H](CCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000120981995 147353735 /nfs/dbraw/zinc/35/37/35/147353735.db2.gz WWADMTXCQKHJRB-VIFPVBQESA-N -1 3 288.325 1.034 20 5 CDBDHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000120982177 147357020 /nfs/dbraw/zinc/35/70/20/147357020.db2.gz WWADMTXCQKHJRB-SECBINFHSA-N -1 3 288.325 1.034 20 5 CDBDHM C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C ZINC000225818022 280098138 /nfs/dbraw/zinc/09/81/38/280098138.db2.gz BCKISNSGVVOUNU-VHSXEESVSA-N -1 3 293.323 1.513 20 5 CDBDHM CCC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109351506 1162030764 /nfs/dbraw/zinc/03/07/64/1162030764.db2.gz LSOGHVHXWLANCA-UHFFFAOYSA-N -1 3 282.300 1.366 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCSC1 ZINC000823629836 599078460 /nfs/dbraw/zinc/07/84/60/599078460.db2.gz JDPWRMYFURQXOM-QMMMGPOBSA-N -1 3 292.324 1.692 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCSC1 ZINC000823629836 599078463 /nfs/dbraw/zinc/07/84/63/599078463.db2.gz JDPWRMYFURQXOM-QMMMGPOBSA-N -1 3 292.324 1.692 20 5 CDBDHM C[C@H](CCO)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820249165 599082141 /nfs/dbraw/zinc/08/21/41/599082141.db2.gz SUSVJGGZAXUMJE-SSDOTTSWSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@H](CCO)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820249165 599082144 /nfs/dbraw/zinc/08/21/44/599082144.db2.gz SUSVJGGZAXUMJE-SSDOTTSWSA-N -1 3 295.324 1.638 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(N2CCN(CC(=O)[O-])CC2)c1 ZINC000094659000 601559024 /nfs/dbraw/zinc/55/90/24/601559024.db2.gz LVLQCXHQJNQQQY-UHFFFAOYSA-N -1 3 279.296 1.110 20 5 CDBDHM CCC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821039785 606420094 /nfs/dbraw/zinc/42/00/94/606420094.db2.gz GSINFKKCFGNLKX-XVKPBYJWSA-N -1 3 289.299 1.770 20 5 CDBDHM CCC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821039785 606420095 /nfs/dbraw/zinc/42/00/95/606420095.db2.gz GSINFKKCFGNLKX-XVKPBYJWSA-N -1 3 289.299 1.770 20 5 CDBDHM C[C@H](O)CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589998677 1173231488 /nfs/dbraw/zinc/23/14/88/1173231488.db2.gz LMVABQGHXAAVGP-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1C1CC1 ZINC001593482592 1174084521 /nfs/dbraw/zinc/08/45/21/1174084521.db2.gz DZVMQTGLZKPROR-VHSXEESVSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1C1CC1 ZINC001593482592 1174084528 /nfs/dbraw/zinc/08/45/28/1174084528.db2.gz DZVMQTGLZKPROR-VHSXEESVSA-N -1 3 286.295 1.985 20 5 CDBDHM C[C@@H]1C[C@@H](C)N1c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603845727 1175651763 /nfs/dbraw/zinc/65/17/63/1175651763.db2.gz FCXKQSLPSKBALW-HTQZYQBOSA-N -1 3 274.284 1.762 20 5 CDBDHM C[C@@H]1C[C@@H](C)N1c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603845727 1175651767 /nfs/dbraw/zinc/65/17/67/1175651767.db2.gz FCXKQSLPSKBALW-HTQZYQBOSA-N -1 3 274.284 1.762 20 5 CDBDHM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cnn[n-]1 ZINC000805604805 726022850 /nfs/dbraw/zinc/02/28/50/726022850.db2.gz GJYPGHMPQUGZKN-UHFFFAOYSA-N -1 3 292.251 1.339 20 5 CDBDHM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1c[n-]nn1 ZINC000805604805 726022851 /nfs/dbraw/zinc/02/28/51/726022851.db2.gz GJYPGHMPQUGZKN-UHFFFAOYSA-N -1 3 292.251 1.339 20 5 CDBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn[n-]1 ZINC000805603321 727132977 /nfs/dbraw/zinc/13/29/77/727132977.db2.gz LTGGINLHBIIBCO-UHFFFAOYSA-N -1 3 282.643 1.723 20 5 CDBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1c[n-]nn1 ZINC000805603321 727132978 /nfs/dbraw/zinc/13/29/78/727132978.db2.gz LTGGINLHBIIBCO-UHFFFAOYSA-N -1 3 282.643 1.723 20 5 CDBDHM CC[C@H](CCO)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609190790 1164833012 /nfs/dbraw/zinc/83/30/12/1164833012.db2.gz VUNMGNRIRVQAPY-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@H](CCO)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609190790 1164833014 /nfs/dbraw/zinc/83/30/14/1164833014.db2.gz VUNMGNRIRVQAPY-SECBINFHSA-N -1 3 292.299 1.348 20 5 CDBDHM O=c1[n-]ccc(NCC2SCCS2)c1[N+](=O)[O-] ZINC000692881451 900893886 /nfs/dbraw/zinc/89/38/86/900893886.db2.gz ABEPKGKOTCGECQ-UHFFFAOYSA-N -1 3 273.339 1.913 20 5 CDBDHM CCCOC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666119 903638098 /nfs/dbraw/zinc/63/80/98/903638098.db2.gz GKCUVSPAZQICTP-QMMMGPOBSA-N -1 3 256.258 1.889 20 5 CDBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccncc2)no1 ZINC001212936930 934899903 /nfs/dbraw/zinc/89/99/03/934899903.db2.gz FFTGKCNHTHUBLW-UHFFFAOYSA-N -1 3 285.219 1.807 20 5 CDBDHM C[C@@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CCO1 ZINC001225663867 941895941 /nfs/dbraw/zinc/89/59/41/941895941.db2.gz HWLNHFJESAJXRY-HTQZYQBOSA-N -1 3 254.242 1.642 20 5 CDBDHM COC(=O)C1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667423 941896957 /nfs/dbraw/zinc/89/69/57/941896957.db2.gz SPWXKJRXVUCKFZ-UHFFFAOYSA-N -1 3 296.279 1.806 20 5 CDBDHM C[C@@H]1COCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694786 942206636 /nfs/dbraw/zinc/20/66/36/942206636.db2.gz JEQHAXSHKPMHJN-APPZFPTMSA-N -1 3 278.268 1.670 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCOC[C@@H]2F)c2[n-]cnc21 ZINC001227694119 942207101 /nfs/dbraw/zinc/20/71/01/942207101.db2.gz DREHPOLHMUADQE-POYBYMJQSA-N -1 3 282.231 1.372 20 5 CDBDHM CN1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228607742 942340400 /nfs/dbraw/zinc/34/04/00/942340400.db2.gz YYTFDRFXPKOOTC-MRVPVSSYSA-N -1 3 280.284 1.051 20 5 CDBDHM CN1CCCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001336201067 960246151 /nfs/dbraw/zinc/24/61/51/960246151.db2.gz JWRGWJWNTDBPJM-LLVKDONJSA-N -1 3 293.323 1.515 20 5 CDBDHM CC[C@@H](C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC001603573675 973706768 /nfs/dbraw/zinc/70/67/68/973706768.db2.gz QVDXEOJJDBDEMG-QMMMGPOBSA-N -1 3 298.295 1.509 20 5 CDBDHM COc1c(O)ccc(CN(C)[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC001599345081 997990463 /nfs/dbraw/zinc/99/04/63/997990463.db2.gz QCLLXUCQOXSRSO-SSDOTTSWSA-N -1 3 284.268 1.214 20 5 CDBDHM COc1cc(CN[C@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000592379619 342687105 /nfs/dbraw/zinc/68/71/05/342687105.db2.gz RMTOEKGZCAPTCT-WCBMZHEXSA-N -1 3 282.296 1.576 20 5 CDBDHM COCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596115622 343231022 /nfs/dbraw/zinc/23/10/22/343231022.db2.gz CKZLFLYVJWKCED-UHFFFAOYSA-N -1 3 255.274 1.924 20 5 CDBDHM Cc1cc([N-]c2ccn(CCO)n2)c([N+](=O)[O-])s1 ZINC000596124098 343236407 /nfs/dbraw/zinc/23/64/07/343236407.db2.gz SIFKANVVCLLGIR-UHFFFAOYSA-N -1 3 268.298 1.319 20 5 CDBDHM CC(C)c1nncn1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596145560 343243214 /nfs/dbraw/zinc/24/32/14/343243214.db2.gz QHBSITLJLKQEPF-UHFFFAOYSA-N -1 3 292.299 1.522 20 5 CDBDHM C[C@@H]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182766 343250693 /nfs/dbraw/zinc/25/06/93/343250693.db2.gz RTZWQHSQBINJFX-BDAKNGLRSA-N -1 3 267.285 1.922 20 5 CDBDHM CCO[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1OC ZINC000596192863 343253668 /nfs/dbraw/zinc/25/36/68/343253668.db2.gz WJPGHTRGHHEEBE-KKZNHRDASA-N -1 3 283.284 1.300 20 5 CDBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596162219 343256456 /nfs/dbraw/zinc/25/64/56/343256456.db2.gz FRIFPCHVSOERPV-LLVKDONJSA-N -1 3 253.258 1.676 20 5 CDBDHM CN(C)CCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211922179 362156571 /nfs/dbraw/zinc/15/65/71/362156571.db2.gz LJLZQDMKDGPBBG-UHFFFAOYSA-N -1 3 267.285 1.291 20 5 CDBDHM Cn1ccnc1[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596174241 343260211 /nfs/dbraw/zinc/26/02/11/343260211.db2.gz JHQPUVLRQRFZSF-SECBINFHSA-N -1 3 289.295 1.423 20 5 CDBDHM C[C@H]1C[C@H](CO)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596278969 343296862 /nfs/dbraw/zinc/29/68/62/343296862.db2.gz MTLYFEMEIVDTNH-IUCAKERBSA-N -1 3 267.285 1.150 20 5 CDBDHM COc1cc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])[nH]n1 ZINC000598987878 343934877 /nfs/dbraw/zinc/93/48/77/343934877.db2.gz NAJYZDFIXIXBNS-UHFFFAOYSA-N -1 3 294.267 1.653 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CC[S@](=O)c1cccc([O-])c1 ZINC000601910512 344278834 /nfs/dbraw/zinc/27/88/34/344278834.db2.gz GYAHKNAIJLTUSK-FQEVSTJZSA-N -1 3 295.320 1.613 20 5 CDBDHM Cc1cc([N-]C(=O)Cn2cc([N+](=O)[O-])c(C)n2)on1 ZINC000272964669 191999524 /nfs/dbraw/zinc/99/95/24/191999524.db2.gz UADUKQRPQZWGDS-UHFFFAOYSA-N -1 3 265.229 1.035 20 5 CDBDHM C[C@H]1CCN(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000548124767 360279567 /nfs/dbraw/zinc/27/95/67/360279567.db2.gz RSKDHAHWVKROMB-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM O=C([O-])[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178898670 189153624 /nfs/dbraw/zinc/15/36/24/189153624.db2.gz AHKMDUWOIKETEO-JTQLQIEISA-N -1 3 280.280 1.380 20 5 CDBDHM COc1cc(CNCC(F)(F)CO)c([N+](=O)[O-])cc1[O-] ZINC000183889635 189370282 /nfs/dbraw/zinc/37/02/82/189370282.db2.gz MXVBEYLFTDIVPD-UHFFFAOYSA-N -1 3 292.238 1.026 20 5 CDBDHM CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122710840 367719463 /nfs/dbraw/zinc/71/94/63/367719463.db2.gz MOEQXSNCGAVREY-UHFFFAOYSA-N -1 3 264.328 1.653 20 5 CDBDHM O=c1[n-]c(=O)n(Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000091329605 373940289 /nfs/dbraw/zinc/94/02/89/373940289.db2.gz DBHRWFJRESXTFI-UHFFFAOYSA-N -1 3 281.655 1.147 20 5 CDBDHM O=C([N-]OCC1CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000293745373 391297740 /nfs/dbraw/zinc/29/77/40/391297740.db2.gz JPXIQYSTCDVRSM-UHFFFAOYSA-N -1 3 254.217 1.805 20 5 CDBDHM Cc1n[nH]c(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188204260 140089753 /nfs/dbraw/zinc/08/97/53/140089753.db2.gz KSHNOLJPJUMIAG-UHFFFAOYSA-N -1 3 277.240 1.288 20 5 CDBDHM CC(C)C[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232608339 140223364 /nfs/dbraw/zinc/22/33/64/140223364.db2.gz QLTFDLGYQHUWHE-SECBINFHSA-N -1 3 267.285 1.612 20 5 CDBDHM CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000035322455 172125771 /nfs/dbraw/zinc/12/57/71/172125771.db2.gz LMNNLHZVHUFDPB-UHFFFAOYSA-N -1 3 258.299 1.592 20 5 CDBDHM O=C([N-]O[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000072058622 176311104 /nfs/dbraw/zinc/31/11/04/176311104.db2.gz IOJRRCYJAYDQLB-NSHDSACASA-N -1 3 266.253 1.783 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589998741 1173230576 /nfs/dbraw/zinc/23/05/76/1173230576.db2.gz YWOANJZLIYZMEF-RNFRBKRXSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589998741 1173230585 /nfs/dbraw/zinc/23/05/85/1173230585.db2.gz YWOANJZLIYZMEF-RNFRBKRXSA-N -1 3 295.324 1.636 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC2)c(F)c1 ZINC000048665698 279159299 /nfs/dbraw/zinc/15/92/99/279159299.db2.gz NYIIIZJWVBLQPY-UHFFFAOYSA-N -1 3 274.273 1.422 20 5 CDBDHM O=[N+]([O-])c1cc(F)ccc1Sc1n[n-]c(CO)n1 ZINC000530352714 281470795 /nfs/dbraw/zinc/47/07/95/281470795.db2.gz BRDNEDPWOUIWRG-UHFFFAOYSA-N -1 3 270.245 1.496 20 5 CDBDHM CC(C)(CO)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819987676 607331527 /nfs/dbraw/zinc/33/15/27/607331527.db2.gz FYUCPTIWYYXVMO-UHFFFAOYSA-N -1 3 292.299 1.205 20 5 CDBDHM CC(C)(CO)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819987676 607331528 /nfs/dbraw/zinc/33/15/28/607331528.db2.gz FYUCPTIWYYXVMO-UHFFFAOYSA-N -1 3 292.299 1.205 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001607083851 1164071257 /nfs/dbraw/zinc/07/12/57/1164071257.db2.gz OTOQTEGYPGYIKK-AKZRSSKFSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001607083851 1164071265 /nfs/dbraw/zinc/07/12/65/1164071265.db2.gz OTOQTEGYPGYIKK-AKZRSSKFSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001607086392 1164073060 /nfs/dbraw/zinc/07/30/60/1164073060.db2.gz WKSHKPNSZRTNIK-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1nccn1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001607086392 1164073065 /nfs/dbraw/zinc/07/30/65/1164073065.db2.gz WKSHKPNSZRTNIK-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM CC1CC(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590193996 1173289855 /nfs/dbraw/zinc/28/98/55/1173289855.db2.gz UUNJOQBNMPVBBX-UHFFFAOYSA-N -1 3 289.299 1.628 20 5 CDBDHM CC1CC(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590193996 1173289858 /nfs/dbraw/zinc/28/98/58/1173289858.db2.gz UUNJOQBNMPVBBX-UHFFFAOYSA-N -1 3 289.299 1.628 20 5 CDBDHM CCC(F)(F)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590452024 1173414877 /nfs/dbraw/zinc/41/48/77/1173414877.db2.gz PJGWBHIKLQRYES-UHFFFAOYSA-N -1 3 299.241 1.627 20 5 CDBDHM CCC(F)(F)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590452024 1173414879 /nfs/dbraw/zinc/41/48/79/1173414879.db2.gz PJGWBHIKLQRYES-UHFFFAOYSA-N -1 3 299.241 1.627 20 5 CDBDHM CC/C=C/CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590531542 1173455886 /nfs/dbraw/zinc/45/58/86/1173455886.db2.gz MYLFYSPGXFOFPY-ONEGZZNKSA-N -1 3 275.272 1.548 20 5 CDBDHM CC/C=C/CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590531542 1173455890 /nfs/dbraw/zinc/45/58/90/1173455890.db2.gz MYLFYSPGXFOFPY-ONEGZZNKSA-N -1 3 275.272 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1CC=CC1 ZINC001593470054 1174078768 /nfs/dbraw/zinc/07/87/68/1174078768.db2.gz DSGYSHBAWJNQOB-UHFFFAOYSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1CC=CC1 ZINC001593470054 1174078774 /nfs/dbraw/zinc/07/87/74/1174078774.db2.gz DSGYSHBAWJNQOB-UHFFFAOYSA-N -1 3 287.283 1.548 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC[C@H]2C[C@H]21 ZINC001593469533 1174079059 /nfs/dbraw/zinc/07/90/59/1174079059.db2.gz UTHUDSVDXAWAHR-IMTBSYHQSA-N -1 3 290.258 1.513 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC[C@H]2C[C@H]21 ZINC001593469533 1174079063 /nfs/dbraw/zinc/07/90/63/1174079063.db2.gz UTHUDSVDXAWAHR-IMTBSYHQSA-N -1 3 290.258 1.513 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Nc1ccccc1 ZINC001593473156 1174080754 /nfs/dbraw/zinc/08/07/54/1174080754.db2.gz NMYMJVXUKNOMPP-UHFFFAOYSA-N -1 3 283.251 1.914 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Nc1ccccc1 ZINC001593473156 1174080760 /nfs/dbraw/zinc/08/07/60/1174080760.db2.gz NMYMJVXUKNOMPP-UHFFFAOYSA-N -1 3 283.251 1.914 20 5 CDBDHM O=[N+]([O-])c1ccc(N2Cc3c[nH]nc3C2)c(-c2nnn[n-]2)c1 ZINC001593478750 1174082041 /nfs/dbraw/zinc/08/20/41/1174082041.db2.gz LDZQEYPNCQDOMI-UHFFFAOYSA-N -1 3 298.266 1.018 20 5 CDBDHM O=[N+]([O-])c1ccc(N2Cc3c[nH]nc3C2)c(-c2nn[n-]n2)c1 ZINC001593478750 1174082048 /nfs/dbraw/zinc/08/20/48/1174082048.db2.gz LDZQEYPNCQDOMI-UHFFFAOYSA-N -1 3 298.266 1.018 20 5 CDBDHM C[C@@H](O)CCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603697581 1175601061 /nfs/dbraw/zinc/60/10/61/1175601061.db2.gz ZUIWGMNMJKTNQM-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](O)CCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603697581 1175601063 /nfs/dbraw/zinc/60/10/63/1175601063.db2.gz ZUIWGMNMJKTNQM-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC[C@H](F)C2)ccc1-c1nnn[n-]1 ZINC001607078592 1164070983 /nfs/dbraw/zinc/07/09/83/1164070983.db2.gz IDAUUXAPQBXHFN-ZETCQYMHSA-N -1 3 278.247 1.323 20 5 CDBDHM Cc1cccc(N2CCN(CC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000235926399 728877761 /nfs/dbraw/zinc/87/77/61/728877761.db2.gz YUEATCOESOYMOM-UHFFFAOYSA-N -1 3 279.296 1.110 20 5 CDBDHM C[C@H](O)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580139 729066730 /nfs/dbraw/zinc/06/67/30/729066730.db2.gz XEGJWPYAOYNSQA-ZETCQYMHSA-N -1 3 290.222 1.063 20 5 CDBDHM O=C([O-])[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351184 729894496 /nfs/dbraw/zinc/89/44/96/729894496.db2.gz YUEVNLUZIDPFSV-WCQYABFASA-N -1 3 294.307 1.425 20 5 CDBDHM CCCO[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846277194 932006035 /nfs/dbraw/zinc/00/60/35/932006035.db2.gz FUXPXDBMCHFSRP-UHFFFAOYSA-N -1 3 256.233 1.734 20 5 CDBDHM O=[N+]([O-])c1c([O-])cc([O-])cc1O[C@H]1CCC[NH2+]C1 ZINC001218284379 941051469 /nfs/dbraw/zinc/05/14/69/941051469.db2.gz QRRLJIIHIWZIBY-QMMMGPOBSA-N -1 3 254.242 1.137 20 5 CDBDHM CCOC(=O)[C@@H]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225663695 941896473 /nfs/dbraw/zinc/89/64/73/941896473.db2.gz FPAGWEVALKNNSZ-RKDXNWHRSA-N -1 3 296.279 1.806 20 5 CDBDHM CCC(=O)[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666419 941897172 /nfs/dbraw/zinc/89/71/72/941897172.db2.gz IOTYEOJMZSUHLQ-SECBINFHSA-N -1 3 254.242 1.832 20 5 CDBDHM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001225679946 941899262 /nfs/dbraw/zinc/89/92/62/941899262.db2.gz STECTPTUKWDMJV-LBPRGKRZSA-N -1 3 281.264 1.735 20 5 CDBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ncccn1 ZINC001227692989 942204870 /nfs/dbraw/zinc/20/48/70/942204870.db2.gz IEWSJDNAXKQLRB-SSDOTTSWSA-N -1 3 286.251 1.796 20 5 CDBDHM COCC(COC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744871 942215975 /nfs/dbraw/zinc/21/59/75/942215975.db2.gz JZJQHYPKZRPLFR-UHFFFAOYSA-N -1 3 281.268 1.511 20 5 CDBDHM COCC(COC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744871 942215977 /nfs/dbraw/zinc/21/59/77/942215977.db2.gz JZJQHYPKZRPLFR-UHFFFAOYSA-N -1 3 281.268 1.511 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC001228685031 942356856 /nfs/dbraw/zinc/35/68/56/942356856.db2.gz CTOFSXUMOKXCJQ-QMMMGPOBSA-N -1 3 254.242 1.562 20 5 CDBDHM CC(=O)N1CCC[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228685710 942357486 /nfs/dbraw/zinc/35/74/86/942357486.db2.gz JRZYANIAESFYKW-JTQLQIEISA-N -1 3 295.295 1.394 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cnccn2)c1[N+](=O)[O-] ZINC001228689915 942359084 /nfs/dbraw/zinc/35/90/84/942359084.db2.gz WWTBDKTYXRKHHO-MRVPVSSYSA-N -1 3 276.252 1.934 20 5 CDBDHM CCN1CC[C@H](Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])C1 ZINC001231259276 942835813 /nfs/dbraw/zinc/83/58/13/942835813.db2.gz IOJBVCZZJYZRII-VIFPVBQESA-N -1 3 267.285 1.477 20 5 CDBDHM CCN1CC[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231259276 942835820 /nfs/dbraw/zinc/83/58/20/942835820.db2.gz IOJBVCZZJYZRII-VIFPVBQESA-N -1 3 267.285 1.477 20 5 CDBDHM CCc1nnc(-c2n[n-]c([N+](=O)[O-])c2Br)o1 ZINC001255114052 947730103 /nfs/dbraw/zinc/73/01/03/947730103.db2.gz LHZKWHLHDMVJFQ-UHFFFAOYSA-N -1 3 288.061 1.693 20 5 CDBDHM CCc1nnc(-c2[n-]nc([N+](=O)[O-])c2Br)o1 ZINC001255114052 947730109 /nfs/dbraw/zinc/73/01/09/947730109.db2.gz LHZKWHLHDMVJFQ-UHFFFAOYSA-N -1 3 288.061 1.693 20 5 CDBDHM Cc1cc(=O)[n-]c(CNc2ccc([N+](=O)[O-])nc2)n1 ZINC001307157790 956372686 /nfs/dbraw/zinc/37/26/86/956372686.db2.gz YQOVCZFGOBBRSB-UHFFFAOYSA-N -1 3 261.241 1.406 20 5 CDBDHM CC(COC(=O)[C@@]1(C(=O)[O-])CC=CCC1)[N+](=O)[O-] ZINC001603202573 972311199 /nfs/dbraw/zinc/31/11/99/972311199.db2.gz NNAVNFIDGJLUQO-KCJUWKMLSA-N -1 3 257.242 1.006 20 5 CDBDHM CO[C@]1(C(=O)[O-])CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000600674003 342241216 /nfs/dbraw/zinc/24/12/16/342241216.db2.gz COUWBNACHNCVMD-IINYFYTJSA-N -1 3 294.307 1.831 20 5 CDBDHM CO[C@@]1(C(=O)[O-])CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000600674001 342241294 /nfs/dbraw/zinc/24/12/94/342241294.db2.gz COUWBNACHNCVMD-HZMBPMFUSA-N -1 3 294.307 1.831 20 5 CDBDHM C[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000158192184 342277992 /nfs/dbraw/zinc/27/79/92/342277992.db2.gz YAYMJJTZPDCTGY-WPRPVWTQSA-N -1 3 294.311 1.583 20 5 CDBDHM O=C([O-])C12CC(C1)CN2CCOc1ccccc1[N+](=O)[O-] ZINC000594734131 342949804 /nfs/dbraw/zinc/94/98/04/342949804.db2.gz PSRBUJYGPXPDFA-UHFFFAOYSA-N -1 3 292.291 1.523 20 5 CDBDHM CCCN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596052942 343221500 /nfs/dbraw/zinc/22/15/00/343221500.db2.gz CBKOSNRETXOGEH-UHFFFAOYSA-N -1 3 266.301 1.227 20 5 CDBDHM COCCOCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596107721 343229011 /nfs/dbraw/zinc/22/90/11/343229011.db2.gz WGYVBZTWBDOQQP-UHFFFAOYSA-N -1 3 285.300 1.551 20 5 CDBDHM O=c1[n-]ccc(NCCCOC2CCOCC2)c1[N+](=O)[O-] ZINC000596143804 343242448 /nfs/dbraw/zinc/24/24/48/343242448.db2.gz ANQQOSDTMUUCQC-UHFFFAOYSA-N -1 3 297.311 1.693 20 5 CDBDHM O=c1[n-]ccc(N2CCC([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596191121 343253230 /nfs/dbraw/zinc/25/32/30/343253230.db2.gz IKVBEUKGAYLMPL-NSHDSACASA-N -1 3 293.323 1.948 20 5 CDBDHM C[C@H](O)C[C@H]1CCCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172120 343259153 /nfs/dbraw/zinc/25/91/53/343259153.db2.gz KWHOLGMXZHRNKK-DTWKUNHWSA-N -1 3 267.285 1.435 20 5 CDBDHM O=c1[n-]ccc(N2CCC3(CCOC3)CC2)c1[N+](=O)[O-] ZINC000596219732 343270069 /nfs/dbraw/zinc/27/00/69/343270069.db2.gz DSYLHXYDZKWAGW-UHFFFAOYSA-N -1 3 279.296 1.702 20 5 CDBDHM C[C@H]1COCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596230262 343273368 /nfs/dbraw/zinc/27/33/68/343273368.db2.gz VHXOGHDUXCNEPV-IUCAKERBSA-N -1 3 267.285 1.780 20 5 CDBDHM O=c1[n-]ccc(NC[C@H](CO)CC2CC2)c1[N+](=O)[O-] ZINC000596492549 343330965 /nfs/dbraw/zinc/33/09/65/343330965.db2.gz PJENOKBVXFRZPY-SECBINFHSA-N -1 3 267.285 1.516 20 5 CDBDHM CN(C)CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000358469514 356264669 /nfs/dbraw/zinc/26/46/69/356264669.db2.gz KQWKQJCQQGEGTJ-UHFFFAOYSA-N -1 3 277.284 1.040 20 5 CDBDHM CCCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1OC ZINC000578330003 356450269 /nfs/dbraw/zinc/45/02/69/356450269.db2.gz YIFFAXSUGYDLAY-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000108873733 357566092 /nfs/dbraw/zinc/56/60/92/357566092.db2.gz CAWOLEJMOYTVBX-UHFFFAOYSA-N -1 3 295.114 1.265 20 5 CDBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000567773826 358733152 /nfs/dbraw/zinc/73/31/52/358733152.db2.gz OFIPHGOAUCNUPQ-DTWKUNHWSA-N -1 3 286.309 1.051 20 5 CDBDHM Nc1c(C(=O)[N-]c2nncs2)cc(F)cc1[N+](=O)[O-] ZINC000048316840 359198523 /nfs/dbraw/zinc/19/85/23/359198523.db2.gz DKLPVFWCGYLFBN-UHFFFAOYSA-N -1 3 283.244 1.420 20 5 CDBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n(C)n1 ZINC000170594706 364148242 /nfs/dbraw/zinc/14/82/42/364148242.db2.gz CGFODPGRPMKHPZ-UHFFFAOYSA-N -1 3 279.231 1.423 20 5 CDBDHM CCc1ccc([O-])c(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000548417391 366906564 /nfs/dbraw/zinc/90/65/64/366906564.db2.gz LMELAVLCAIWXMP-UHFFFAOYSA-N -1 3 276.252 1.838 20 5 CDBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)C)cc1[N+](=O)[O-] ZINC000274984661 367012226 /nfs/dbraw/zinc/01/22/26/367012226.db2.gz CENWYWKDYAFMKW-UHFFFAOYSA-N -1 3 292.288 1.429 20 5 CDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1[O-] ZINC000179190801 372256019 /nfs/dbraw/zinc/25/60/19/372256019.db2.gz MZAUIGGTJGOGHE-UHFFFAOYSA-N -1 3 296.670 1.789 20 5 CDBDHM Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000016493688 376028355 /nfs/dbraw/zinc/02/83/55/376028355.db2.gz BHKWWLUVBCVBMO-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)CF)c([N+](=O)[O-])c1 ZINC000351739786 378412805 /nfs/dbraw/zinc/41/28/05/378412805.db2.gz NOUWETFAGXZDQY-UHFFFAOYSA-N -1 3 290.316 1.930 20 5 CDBDHM CCc1ccc(C(=O)[N-]N2CCCCC2=O)cc1[N+](=O)[O-] ZINC000174159828 379381872 /nfs/dbraw/zinc/38/18/72/379381872.db2.gz DQQAEHFDPPTFMV-UHFFFAOYSA-N -1 3 291.307 1.815 20 5 CDBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281610756 195308663 /nfs/dbraw/zinc/30/86/63/195308663.db2.gz GURYPKYLYHVPPX-UHFFFAOYSA-N -1 3 277.240 1.446 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493719432 393218488 /nfs/dbraw/zinc/21/84/88/393218488.db2.gz HPZFPDQOSVMPCJ-VOTSOKGWSA-N -1 3 280.280 1.427 20 5 CDBDHM O=C(Nc1nccs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186753245 140069809 /nfs/dbraw/zinc/06/98/09/140069809.db2.gz MOOSGHUKIWIPPK-UHFFFAOYSA-N -1 3 266.238 1.404 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([O-])cc1F ZINC000183283507 148294958 /nfs/dbraw/zinc/29/49/58/148294958.db2.gz RYJPHZDWKIGMNW-UHFFFAOYSA-N -1 3 294.242 1.583 20 5 CDBDHM COc1nnccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000346481657 153204379 /nfs/dbraw/zinc/20/43/79/153204379.db2.gz UOTHHYSZLHGLDN-UHFFFAOYSA-N -1 3 280.265 1.707 20 5 CDBDHM COc1ccnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000361894061 159011887 /nfs/dbraw/zinc/01/18/87/159011887.db2.gz TUXLJSZQZBZQTF-UHFFFAOYSA-N -1 3 290.235 1.351 20 5 CDBDHM O=C([N-]c1ccc(F)cc1F)c1c[nH]nc1[N+](=O)[O-] ZINC000548408216 289880279 /nfs/dbraw/zinc/88/02/79/289880279.db2.gz GJXFPUXUVDNEHS-UHFFFAOYSA-N -1 3 268.179 1.848 20 5 CDBDHM N[C@@H](CC(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000382256546 323637514 /nfs/dbraw/zinc/63/75/14/323637514.db2.gz BORXRRNQHWRKAL-LURJTMIESA-N -1 3 275.211 1.221 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@H](C)C(=O)[O-] ZINC000582127096 324911632 /nfs/dbraw/zinc/91/16/32/324911632.db2.gz IDURTOPYFTXBCR-IUCAKERBSA-N -1 3 282.296 1.802 20 5 CDBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000736276840 575611111 /nfs/dbraw/zinc/61/11/11/575611111.db2.gz RCDCAAYONSMKDE-MRVPVSSYSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000736276840 575611112 /nfs/dbraw/zinc/61/11/12/575611112.db2.gz RCDCAAYONSMKDE-MRVPVSSYSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760404287 576482596 /nfs/dbraw/zinc/48/25/96/576482596.db2.gz LZOOUYZIYINUSW-SECBINFHSA-N -1 3 295.320 1.962 20 5 CDBDHM O=C([O-])C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351207 597368846 /nfs/dbraw/zinc/36/88/46/597368846.db2.gz JKDUVZVYHRNZCK-ZDUSSCGKSA-N -1 3 294.307 1.425 20 5 CDBDHM CCCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604199644 1163123217 /nfs/dbraw/zinc/12/32/17/1163123217.db2.gz JFIXLWBMAFMBJH-UHFFFAOYSA-N -1 3 262.273 1.621 20 5 CDBDHM CCCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604199644 1163123221 /nfs/dbraw/zinc/12/32/21/1163123221.db2.gz JFIXLWBMAFMBJH-UHFFFAOYSA-N -1 3 262.273 1.621 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609128918 1164785206 /nfs/dbraw/zinc/78/52/06/1164785206.db2.gz VCQGMCZLFXYDEU-PHDIDXHHSA-N -1 3 296.312 1.031 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609128918 1164785212 /nfs/dbraw/zinc/78/52/12/1164785212.db2.gz VCQGMCZLFXYDEU-PHDIDXHHSA-N -1 3 296.312 1.031 20 5 CDBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001609175188 1164816764 /nfs/dbraw/zinc/81/67/64/1164816764.db2.gz JLASJDPHIGCTGN-DTORHVGOSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1C ZINC001609175188 1164816771 /nfs/dbraw/zinc/81/67/71/1164816771.db2.gz JLASJDPHIGCTGN-DTORHVGOSA-N -1 3 288.311 1.867 20 5 CDBDHM CC(C)(NC[C@@](C)(O)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001609785139 1165080529 /nfs/dbraw/zinc/08/05/29/1165080529.db2.gz LPDBOSLLLPDXLD-CYBMUJFWSA-N -1 3 282.296 1.255 20 5 CDBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001590312605 1173346560 /nfs/dbraw/zinc/34/65/60/1173346560.db2.gz JISHUNMSEUIEAZ-SFYZADRCSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001590312605 1173346568 /nfs/dbraw/zinc/34/65/68/1173346568.db2.gz JISHUNMSEUIEAZ-SFYZADRCSA-N -1 3 274.284 1.620 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1C=CCC1 ZINC001593470679 1174078855 /nfs/dbraw/zinc/07/88/55/1174078855.db2.gz KDXSREHCTHNXFT-QMMMGPOBSA-N -1 3 273.256 1.300 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1C=CCC1 ZINC001593470679 1174078859 /nfs/dbraw/zinc/07/88/59/1174078859.db2.gz KDXSREHCTHNXFT-QMMMGPOBSA-N -1 3 273.256 1.300 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H](F)C1 ZINC001593469682 1174078872 /nfs/dbraw/zinc/07/88/72/1174078872.db2.gz BCMZUOAUXKQNHZ-MRVPVSSYSA-N -1 3 293.262 1.108 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](F)C1 ZINC001593469682 1174078877 /nfs/dbraw/zinc/07/88/77/1174078877.db2.gz BCMZUOAUXKQNHZ-MRVPVSSYSA-N -1 3 293.262 1.108 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CCOC1 ZINC001593475232 1174082557 /nfs/dbraw/zinc/08/25/57/1174082557.db2.gz MWYYKUSCODBLSR-QMMMGPOBSA-N -1 3 290.283 1.223 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CCOC1 ZINC001593475232 1174082563 /nfs/dbraw/zinc/08/25/63/1174082563.db2.gz MWYYKUSCODBLSR-QMMMGPOBSA-N -1 3 290.283 1.223 20 5 CDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H]2C)n1 ZINC001600107629 1174363870 /nfs/dbraw/zinc/36/38/70/1174363870.db2.gz ZPKSFNKEEKNJDO-WPRPVWTQSA-N -1 3 294.311 1.501 20 5 CDBDHM C[C@H](O)C[C@H](C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603696053 1175601416 /nfs/dbraw/zinc/60/14/16/1175601416.db2.gz PFOXZUFHSPFWCM-YUMQZZPRSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](O)C[C@H](C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603696053 1175601419 /nfs/dbraw/zinc/60/14/19/1175601419.db2.gz PFOXZUFHSPFWCM-YUMQZZPRSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609128921 1164787234 /nfs/dbraw/zinc/78/72/34/1164787234.db2.gz VCQGMCZLFXYDEU-WDSKDSINSA-N -1 3 296.312 1.031 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609128921 1164787242 /nfs/dbraw/zinc/78/72/42/1164787242.db2.gz VCQGMCZLFXYDEU-WDSKDSINSA-N -1 3 296.312 1.031 20 5 CDBDHM CN(Cc1ncc(Cl)n1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853471667 731756172 /nfs/dbraw/zinc/75/61/72/731756172.db2.gz DBVMLKODHOYJEN-UHFFFAOYSA-N -1 3 297.702 1.719 20 5 CDBDHM CO[C@@H]1CCN(CCOc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001225491189 902793479 /nfs/dbraw/zinc/79/34/79/902793479.db2.gz NDLZCWUFAYENME-LLVKDONJSA-N -1 3 282.296 1.400 20 5 CDBDHM O=C(/C=C\C1CC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093573414 909976303 /nfs/dbraw/zinc/97/63/03/909976303.db2.gz MYHYIWNFXKLIRH-ARJAWSKDSA-N -1 3 292.295 1.190 20 5 CDBDHM COc1cc([N+](=O)[O-])cnc1NCc1ncccc1[O-] ZINC001169726909 928349790 /nfs/dbraw/zinc/34/97/90/928349790.db2.gz FNGCKTFFBXMENX-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM COc1ncc([N+](=O)[O-])cc1NCc1ncccc1[O-] ZINC001169732445 928397690 /nfs/dbraw/zinc/39/76/90/928397690.db2.gz XKGLGKBRCZXTQG-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM CCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110037612 929110716 /nfs/dbraw/zinc/11/07/16/929110716.db2.gz MDHCWJOYHPAJBV-UHFFFAOYSA-N -1 3 280.284 1.166 20 5 CDBDHM O=C(Nc1cc(F)ccn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161619397 938915489 /nfs/dbraw/zinc/91/54/89/938915489.db2.gz WEDDOAPCRROYDR-UHFFFAOYSA-N -1 3 278.199 1.482 20 5 CDBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cnccn1 ZINC001227692539 942205141 /nfs/dbraw/zinc/20/51/41/942205141.db2.gz ZKYQZFTZDWCUEP-ZETCQYMHSA-N -1 3 286.251 1.796 20 5 CDBDHM CCOC(=O)C1CC(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228687701 942357183 /nfs/dbraw/zinc/35/71/83/942357183.db2.gz ZSQQKXSAEHXPNT-UHFFFAOYSA-N -1 3 296.279 1.724 20 5 CDBDHM CCN1CC[C@@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231221461 942821332 /nfs/dbraw/zinc/82/13/32/942821332.db2.gz PCZYFNMFCKQJDR-MRVPVSSYSA-N -1 3 297.267 1.682 20 5 CDBDHM O=c1[n-]cc(-c2nnc([C@H]3CCOC3)o2)cc1[N+](=O)[O-] ZINC001255585135 948013011 /nfs/dbraw/zinc/01/30/11/948013011.db2.gz CHMVILHLEPUAKD-LURJTMIESA-N -1 3 278.224 1.249 20 5 CDBDHM O=C([O-])CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774738 958312843 /nfs/dbraw/zinc/31/28/43/958312843.db2.gz UNLIOIATZRSAHD-UHFFFAOYSA-N -1 3 268.244 1.783 20 5 CDBDHM CC(=O)NC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001347182131 965409928 /nfs/dbraw/zinc/40/99/28/965409928.db2.gz XZAWTOVUOBXPII-SNVBAGLBSA-N -1 3 294.311 1.048 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC=CC1 ZINC001593475345 1174082996 /nfs/dbraw/zinc/08/29/96/1174082996.db2.gz OJUZOVIERGAOGQ-UHFFFAOYSA-N -1 3 258.241 1.151 20 5 CDBDHM Cc1cc(S(=O)(=O)[N-]C(C)C)c(F)cc1[N+](=O)[O-] ZINC000601278589 342548559 /nfs/dbraw/zinc/54/85/59/342548559.db2.gz HMUUFMPCAUBERK-UHFFFAOYSA-N -1 3 276.289 1.729 20 5 CDBDHM C[C@H]1CCC[C@@]1(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596247280 343286757 /nfs/dbraw/zinc/28/67/57/343286757.db2.gz MPGYSKPLNRIEFN-QPUJVOFHSA-N -1 3 267.285 1.658 20 5 CDBDHM O=c1[n-]ccc(N2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596176459 343260769 /nfs/dbraw/zinc/26/07/69/343260769.db2.gz GPKFZZBUZXRWQT-UHFFFAOYSA-N -1 3 265.269 1.455 20 5 CDBDHM O=c1[n-]ccc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000596222865 343271070 /nfs/dbraw/zinc/27/10/70/343271070.db2.gz JUNACTVXBUNLIS-UHFFFAOYSA-N -1 3 264.285 1.369 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]([C@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000596265814 343279575 /nfs/dbraw/zinc/27/95/75/343279575.db2.gz QIHKAUJSAVQBNU-ZYHUDNBSSA-N -1 3 293.323 1.904 20 5 CDBDHM O=C([O-])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000003750240 362255397 /nfs/dbraw/zinc/25/53/97/362255397.db2.gz CKBQUBYMIOIREL-LLVKDONJSA-N -1 3 264.281 1.891 20 5 CDBDHM Cc1[nH]nc(C(=O)[N-]c2nccs2)c1[N+](=O)[O-] ZINC000064354012 348939410 /nfs/dbraw/zinc/93/94/10/348939410.db2.gz BKLJJVWQDQRJTD-UHFFFAOYSA-N -1 3 253.243 1.335 20 5 CDBDHM CC(C)[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232701130 535207535 /nfs/dbraw/zinc/20/75/35/535207535.db2.gz RFFBHJLCOJDXJA-SNVBAGLBSA-N -1 3 253.258 1.222 20 5 CDBDHM C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)C(=O)[O-] ZINC000567116808 358629255 /nfs/dbraw/zinc/62/92/55/358629255.db2.gz NBESPXMDUYTKKR-YUMQZZPRSA-N -1 3 292.295 1.670 20 5 CDBDHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C ZINC000356614156 372984716 /nfs/dbraw/zinc/98/47/16/372984716.db2.gz UCBXZCSFTXITKY-ONGXEEELSA-N -1 3 293.323 1.513 20 5 CDBDHM CC[C@@H](C)n1[nH]c(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)cc1C ZINC000354539433 375724175 /nfs/dbraw/zinc/72/41/75/375724175.db2.gz MRBTWPASRSNZIW-SSDOTTSWSA-N -1 3 292.299 1.468 20 5 CDBDHM CC[C@@H](C)n1[nH]c(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1C ZINC000354539433 375724178 /nfs/dbraw/zinc/72/41/78/375724178.db2.gz MRBTWPASRSNZIW-SSDOTTSWSA-N -1 3 292.299 1.468 20 5 CDBDHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032473091 375956767 /nfs/dbraw/zinc/95/67/67/375956767.db2.gz WOONYAQKYBKTFB-IUCAKERBSA-N -1 3 270.310 1.529 20 5 CDBDHM COCc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)no1 ZINC000173018381 377798343 /nfs/dbraw/zinc/79/83/43/377798343.db2.gz FYJUROCGIQXXGL-UHFFFAOYSA-N -1 3 277.236 1.982 20 5 CDBDHM C[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N(C)C ZINC000166738618 292860285 /nfs/dbraw/zinc/86/02/85/292860285.db2.gz CSPVOUUUOLZSRP-ZETCQYMHSA-N -1 3 268.273 1.050 20 5 CDBDHM COCCO[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493037377 253352791 /nfs/dbraw/zinc/35/27/91/253352791.db2.gz FKEYOYXIYIVBPS-HWKANZROSA-N -1 3 284.243 1.441 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000301791677 285132610 /nfs/dbraw/zinc/13/26/10/285132610.db2.gz OBKNCHOYXCUTQI-UHFFFAOYSA-N -1 3 290.254 1.792 20 5 CDBDHM O=C([O-])C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000262612330 131241382 /nfs/dbraw/zinc/24/13/82/131241382.db2.gz CASVVWMEKBKHCW-UHFFFAOYSA-N -1 3 294.307 1.770 20 5 CDBDHM CN(C)[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269170717 132124365 /nfs/dbraw/zinc/12/43/65/132124365.db2.gz HJQJMOHSFJVPCV-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM Cc1ccnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186783269 140069113 /nfs/dbraw/zinc/06/91/13/140069113.db2.gz CGIPLWUYEDWELS-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM C=C=CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588466734 1173065697 /nfs/dbraw/zinc/06/56/97/1173065697.db2.gz LANXUGZWERIAJC-UHFFFAOYSA-N -1 3 258.241 1.528 20 5 CDBDHM C=C=CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588466734 1173065704 /nfs/dbraw/zinc/06/57/04/1173065704.db2.gz LANXUGZWERIAJC-UHFFFAOYSA-N -1 3 258.241 1.528 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1C[C@@H]1C ZINC000046034414 175390234 /nfs/dbraw/zinc/39/02/34/175390234.db2.gz RCPGOJCOKCZJKR-VHSXEESVSA-N -1 3 284.337 1.838 20 5 CDBDHM Cc1cc([N-]C(=O)COc2cccnc2[N+](=O)[O-])on1 ZINC000010124032 262184477 /nfs/dbraw/zinc/18/44/77/262184477.db2.gz IXOMFFUQRANSIL-UHFFFAOYSA-N -1 3 278.224 1.304 20 5 CDBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccn1 ZINC000193371567 267301404 /nfs/dbraw/zinc/30/14/04/267301404.db2.gz VXSQNIXLJHFHFQ-UHFFFAOYSA-N -1 3 274.236 1.651 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(C)n1 ZINC000554225472 290148460 /nfs/dbraw/zinc/14/84/60/290148460.db2.gz CHUHIJWOCNWDRR-UHFFFAOYSA-N -1 3 261.241 1.284 20 5 CDBDHM CCOc1cc([O-])ccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555307031 290213276 /nfs/dbraw/zinc/21/32/76/290213276.db2.gz MXTUDCREHNULPR-UHFFFAOYSA-N -1 3 292.251 1.675 20 5 CDBDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000354303430 522254721 /nfs/dbraw/zinc/25/47/21/522254721.db2.gz JFHLQEQGOPUUST-SECBINFHSA-N -1 3 288.325 1.216 20 5 CDBDHM CCOCCO[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773144589 575785560 /nfs/dbraw/zinc/78/55/60/575785560.db2.gz NLWWEJUDNQKKTM-UHFFFAOYSA-N -1 3 299.239 1.201 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OC2CCOCC2)c1 ZINC000773936969 575845009 /nfs/dbraw/zinc/84/50/09/575845009.db2.gz NAEHRUZHNWBRSR-UHFFFAOYSA-N -1 3 296.279 1.444 20 5 CDBDHM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768885763 576315734 /nfs/dbraw/zinc/31/57/34/576315734.db2.gz BXEMJARPNSRHQE-RQJHMYQMSA-N -1 3 294.354 1.094 20 5 CDBDHM CC(C)CO[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000750024913 576972566 /nfs/dbraw/zinc/97/25/66/576972566.db2.gz WZWIVTYFDPHUGQ-UHFFFAOYSA-N -1 3 296.279 1.683 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820467228 599100112 /nfs/dbraw/zinc/10/01/12/599100112.db2.gz CBLMPTKJULFSDZ-RNFRBKRXSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820467228 599100114 /nfs/dbraw/zinc/10/01/14/599100114.db2.gz CBLMPTKJULFSDZ-RNFRBKRXSA-N -1 3 295.324 1.636 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000227150889 601511850 /nfs/dbraw/zinc/51/18/50/601511850.db2.gz OCQCMAVOJXHQCR-JOYOIKCWSA-N -1 3 294.307 1.756 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC/C=C/Cl ZINC001607084630 1164070959 /nfs/dbraw/zinc/07/09/59/1164070959.db2.gz QCULDELUFYQDRR-GORDUTHDSA-N -1 3 280.675 1.939 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC/C=C/Cl ZINC001607084630 1164070964 /nfs/dbraw/zinc/07/09/64/1164070964.db2.gz QCULDELUFYQDRR-GORDUTHDSA-N -1 3 280.675 1.939 20 5 CDBDHM Cc1noc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001608028226 1164383262 /nfs/dbraw/zinc/38/32/62/1164383262.db2.gz VSJZMQULUGXRSJ-YGOYTEALSA-N -1 3 295.295 1.576 20 5 CDBDHM O=[N+]([O-])c1cc(NCc2cc[nH]n2)ccc1-c1nnn[n-]1 ZINC001609600771 1164998549 /nfs/dbraw/zinc/99/85/49/1164998549.db2.gz CWXPMLFYENYFEP-UHFFFAOYSA-N -1 3 286.255 1.110 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1C[C@@H](F)[C@@H](F)C1 ZINC001609602998 1165002136 /nfs/dbraw/zinc/00/21/36/1165002136.db2.gz UJGFUAZHGSKKKN-OCAPTIKFSA-N -1 3 296.237 1.271 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1C[C@@H](F)[C@@H](F)C1 ZINC001609602998 1165002141 /nfs/dbraw/zinc/00/21/41/1165002141.db2.gz UJGFUAZHGSKKKN-OCAPTIKFSA-N -1 3 296.237 1.271 20 5 CDBDHM CC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001590134583 1173266125 /nfs/dbraw/zinc/26/61/25/1173266125.db2.gz AUVPOIFMFQJOTK-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM CC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001590134583 1173266130 /nfs/dbraw/zinc/26/61/30/1173266130.db2.gz AUVPOIFMFQJOTK-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CO1 ZINC001590206031 1173291737 /nfs/dbraw/zinc/29/17/37/1173291737.db2.gz GTUFIXGYLZTZDO-CBAPKCEASA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CO1 ZINC001590206031 1173291743 /nfs/dbraw/zinc/29/17/43/1173291743.db2.gz GTUFIXGYLZTZDO-CBAPKCEASA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590316430 1173350715 /nfs/dbraw/zinc/35/07/15/1173350715.db2.gz MIWNIOFFTPPCCA-NKWVEPMBSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590316430 1173350721 /nfs/dbraw/zinc/35/07/21/1173350721.db2.gz MIWNIOFFTPPCCA-NKWVEPMBSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@@]1(O)C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001591777341 1173698246 /nfs/dbraw/zinc/69/82/46/1173698246.db2.gz KCDHMTSURINACB-OGXFKERWSA-N -1 3 290.283 1.100 20 5 CDBDHM C[C@@]1(O)C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001591777341 1173698255 /nfs/dbraw/zinc/69/82/55/1173698255.db2.gz KCDHMTSURINACB-OGXFKERWSA-N -1 3 290.283 1.100 20 5 CDBDHM Cc1cc(F)c(-c2nnn[n-]2)c(-n2ccc([N+](=O)[O-])n2)c1 ZINC001591977786 1173762766 /nfs/dbraw/zinc/76/27/66/1173762766.db2.gz KZWWCJLDJPVIKC-UHFFFAOYSA-N -1 3 289.230 1.408 20 5 CDBDHM Cc1cc(Cn2nccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591978121 1173764096 /nfs/dbraw/zinc/76/40/96/1173764096.db2.gz VPCYOUJCZYLDSW-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cc(Cn2nccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591978121 1173764099 /nfs/dbraw/zinc/76/40/99/1173764099.db2.gz VPCYOUJCZYLDSW-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cc(NCCCCO)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592046714 1173787694 /nfs/dbraw/zinc/78/76/94/1173787694.db2.gz GCTLBCUNMKACSE-UHFFFAOYSA-N -1 3 292.299 1.268 20 5 CDBDHM Cc1cc(NCCCCO)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592046714 1173787697 /nfs/dbraw/zinc/78/76/97/1173787697.db2.gz GCTLBCUNMKACSE-UHFFFAOYSA-N -1 3 292.299 1.268 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCCCC1 ZINC001593474466 1174081260 /nfs/dbraw/zinc/08/12/60/1174081260.db2.gz KFCFTZNPEFZWPH-UHFFFAOYSA-N -1 3 274.284 1.765 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCCCC1 ZINC001593474466 1174081267 /nfs/dbraw/zinc/08/12/67/1174081267.db2.gz KFCFTZNPEFZWPH-UHFFFAOYSA-N -1 3 274.284 1.765 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2C[C@@H]21 ZINC001593479917 1174081997 /nfs/dbraw/zinc/08/19/97/1174081997.db2.gz CKLPXSQVPBJQOS-XCBNKYQSSA-N -1 3 272.268 1.374 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@@H]2C[C@@H]21 ZINC001593479917 1174082003 /nfs/dbraw/zinc/08/20/03/1174082003.db2.gz CKLPXSQVPBJQOS-XCBNKYQSSA-N -1 3 272.268 1.374 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCCOCC1 ZINC001593480087 1174082536 /nfs/dbraw/zinc/08/25/36/1174082536.db2.gz FBAISPDKQPDBGS-UHFFFAOYSA-N -1 3 290.283 1.002 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCCOCC1 ZINC001593480087 1174082541 /nfs/dbraw/zinc/08/25/41/1174082541.db2.gz FBAISPDKQPDBGS-UHFFFAOYSA-N -1 3 290.283 1.002 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC=CC1 ZINC001593475345 1174082993 /nfs/dbraw/zinc/08/29/93/1174082993.db2.gz OJUZOVIERGAOGQ-UHFFFAOYSA-N -1 3 258.241 1.151 20 5 CDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)[C@H]1C ZINC001603939554 1175692697 /nfs/dbraw/zinc/69/26/97/1175692697.db2.gz MRVHDABVEDQOMV-BQBZGAKWSA-N -1 3 289.299 1.202 20 5 CDBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)[C@H]1C ZINC001603939554 1175692704 /nfs/dbraw/zinc/69/27/04/1175692704.db2.gz MRVHDABVEDQOMV-BQBZGAKWSA-N -1 3 289.299 1.202 20 5 CDBDHM COc1ncnc([N-]C2(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000229742090 1178133454 /nfs/dbraw/zinc/13/34/54/1178133454.db2.gz WLJBUKBICJIMPM-UHFFFAOYSA-N -1 3 278.190 1.900 20 5 CDBDHM O=C(OCCF)Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001606971251 1164043722 /nfs/dbraw/zinc/04/37/22/1164043722.db2.gz RQVQLTFKNDDIJU-UHFFFAOYSA-N -1 3 297.202 1.260 20 5 CDBDHM O=C(OCCF)Oc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001606971251 1164043730 /nfs/dbraw/zinc/04/37/30/1164043730.db2.gz RQVQLTFKNDDIJU-UHFFFAOYSA-N -1 3 297.202 1.260 20 5 CDBDHM C[C@@H](O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824698717 736206265 /nfs/dbraw/zinc/20/62/65/736206265.db2.gz NRJGARCSLDMGAC-HTQZYQBOSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824698717 736206273 /nfs/dbraw/zinc/20/62/73/736206273.db2.gz NRJGARCSLDMGAC-HTQZYQBOSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CF)c1[N+](=O)[O-] ZINC000885408301 733811387 /nfs/dbraw/zinc/81/13/87/733811387.db2.gz BDPWYOYHZNSXPR-VIFPVBQESA-N -1 3 290.316 1.848 20 5 CDBDHM CN(CCN1CCCC1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162421004 734074377 /nfs/dbraw/zinc/07/43/77/734074377.db2.gz UTHIZHOAJJMYAF-UHFFFAOYSA-N -1 3 294.311 1.220 20 5 CDBDHM CCCn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000174541585 734165097 /nfs/dbraw/zinc/16/50/97/734165097.db2.gz ZPSTUIIEYOUDMH-UHFFFAOYSA-N -1 3 291.267 1.554 20 5 CDBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cnn[n-]1 ZINC000805604237 734218937 /nfs/dbraw/zinc/21/89/37/734218937.db2.gz AKUJAMIBHQUVKB-UHFFFAOYSA-N -1 3 266.188 1.209 20 5 CDBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1c[n-]nn1 ZINC000805604237 734218940 /nfs/dbraw/zinc/21/89/40/734218940.db2.gz AKUJAMIBHQUVKB-UHFFFAOYSA-N -1 3 266.188 1.209 20 5 CDBDHM O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174476993 913186747 /nfs/dbraw/zinc/18/67/47/913186747.db2.gz DTBCZUXRHQDMNU-UHFFFAOYSA-N -1 3 277.196 1.938 20 5 CDBDHM Cc1ncc([N+](=O)[O-])cc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001249544616 913987923 /nfs/dbraw/zinc/98/79/23/913987923.db2.gz QAIATVQFESHHOT-UHFFFAOYSA-N -1 3 279.281 1.826 20 5 CDBDHM O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCc2ncccc2[O-])c1 ZINC001158775121 938663319 /nfs/dbraw/zinc/66/33/19/938663319.db2.gz YDVCCDBENGOHQM-UHFFFAOYSA-N -1 3 296.670 1.594 20 5 CDBDHM Cc1cnc(=S)[n-]c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001225742111 941906020 /nfs/dbraw/zinc/90/60/20/941906020.db2.gz GSMGYDPSVWCZPP-QMMMGPOBSA-N -1 3 255.299 1.508 20 5 CDBDHM Cc1[n-]c(=O)cc(OC2CC3(COC3)C2)c1[N+](=O)[O-] ZINC001228687348 942357284 /nfs/dbraw/zinc/35/72/84/942357284.db2.gz VYQVCRCRJNHOTD-UHFFFAOYSA-N -1 3 266.253 1.562 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2COC[C@@H]2C)c1[N+](=O)[O-] ZINC001228687665 942357662 /nfs/dbraw/zinc/35/76/62/942357662.db2.gz ZINWLRANQUTCBC-RCOVLWMOSA-N -1 3 254.242 1.418 20 5 CDBDHM COC(=O)C1CC(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228687647 942357877 /nfs/dbraw/zinc/35/78/77/942357877.db2.gz ZDTZSKRKZDOZPE-UHFFFAOYSA-N -1 3 282.252 1.334 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCC(=O)[O-] ZINC001594381166 958622270 /nfs/dbraw/zinc/62/22/70/958622270.db2.gz MHSKNMPSHHAGID-SNVBAGLBSA-N -1 3 282.296 1.655 20 5 CDBDHM C[C@](O)(CNCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001603263454 972449837 /nfs/dbraw/zinc/44/98/37/972449837.db2.gz LKPXXDJIVQJZTH-NSHDSACASA-N -1 3 288.687 1.173 20 5 CDBDHM C[C@H](CN(C)Cc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC000094774771 967602195 /nfs/dbraw/zinc/60/21/95/967602195.db2.gz JWDXMZGDJSGDLZ-MRVPVSSYSA-N -1 3 270.260 1.886 20 5 CDBDHM COC(=O)[C@@H](C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596069643 343224916 /nfs/dbraw/zinc/22/49/16/343224916.db2.gz HQAILWHDHMHPAW-RXMQYKEDSA-N -1 3 258.255 1.349 20 5 CDBDHM COC(=O)[C@@H](C)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596128053 343237752 /nfs/dbraw/zinc/23/77/52/343237752.db2.gz GEOKQKBOFFHXQJ-LURJTMIESA-N -1 3 272.282 1.597 20 5 CDBDHM CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1 ZINC000598576671 343834145 /nfs/dbraw/zinc/83/41/45/343834145.db2.gz YNYUQMJISGTWAN-LBPRGKRZSA-N -1 3 293.323 1.370 20 5 CDBDHM COc1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c([N+](=O)[O-])cc1[O-] ZINC000152965118 347641368 /nfs/dbraw/zinc/64/13/68/347641368.db2.gz BYPSQOMNWIGWOK-BREBYQMCSA-N -1 3 294.307 1.719 20 5 CDBDHM CN(C[C@@H]1CCN(C)C1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000104919604 186032046 /nfs/dbraw/zinc/03/20/46/186032046.db2.gz RVBYVHASBNHBIQ-SNVBAGLBSA-N -1 3 293.323 1.324 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000092924434 351300774 /nfs/dbraw/zinc/30/07/74/351300774.db2.gz WVEZNDCJKLZNFL-CABZTGNLSA-N -1 3 294.307 1.898 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cccc1F ZINC000360543473 357437766 /nfs/dbraw/zinc/43/77/66/357437766.db2.gz NLHNZMITWXTWEA-UHFFFAOYSA-N -1 3 282.206 1.859 20 5 CDBDHM O=c1[n-]cnc2c1CCN(c1ccccc1[N+](=O)[O-])C2 ZINC000566642933 358247997 /nfs/dbraw/zinc/24/79/97/358247997.db2.gz RFSVUZWIEHFPLJ-UHFFFAOYSA-N -1 3 272.264 1.653 20 5 CDBDHM C[C@@H](C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000051659012 358963085 /nfs/dbraw/zinc/96/30/85/358963085.db2.gz ZOWDIXUENCTEJF-JTQLQIEISA-N -1 3 279.296 1.190 20 5 CDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(Cl)cc1[O-] ZINC000339007805 359273457 /nfs/dbraw/zinc/27/34/57/359273457.db2.gz XNMXPXXIZKZORR-UHFFFAOYSA-N -1 3 296.670 1.789 20 5 CDBDHM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC1 ZINC000572047674 359793026 /nfs/dbraw/zinc/79/30/26/359793026.db2.gz RUUOGMVXRBOXFN-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc2nn[n-]c21 ZINC000187579538 364788092 /nfs/dbraw/zinc/78/80/92/364788092.db2.gz UHCOUMDZYMLOHO-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc2[n-]nnc21 ZINC000187579538 364788097 /nfs/dbraw/zinc/78/80/97/364788097.db2.gz UHCOUMDZYMLOHO-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000187579538 364788099 /nfs/dbraw/zinc/78/80/99/364788099.db2.gz UHCOUMDZYMLOHO-UHFFFAOYSA-N -1 3 297.274 1.796 20 5 CDBDHM Cn1cnc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000349436542 373757027 /nfs/dbraw/zinc/75/70/27/373757027.db2.gz QTZAUXVZDVNIFZ-UHFFFAOYSA-N -1 3 298.262 1.524 20 5 CDBDHM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCCN(C)C1 ZINC000175839953 390498348 /nfs/dbraw/zinc/49/83/48/390498348.db2.gz GHIJVNDLGHIXGE-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM N[C@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000420219663 392906950 /nfs/dbraw/zinc/90/69/50/392906950.db2.gz ROBTWDYBNKUGGI-LLVKDONJSA-N -1 3 289.295 1.216 20 5 CDBDHM CCN[C@H](C)CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420237819 392911615 /nfs/dbraw/zinc/91/16/15/392911615.db2.gz CQRGGWODWSCEQW-SECBINFHSA-N -1 3 291.311 1.477 20 5 CDBDHM CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[n-]1 ZINC000354123136 156278384 /nfs/dbraw/zinc/27/83/84/156278384.db2.gz STMSQQUYVNWBTL-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000354123136 156278385 /nfs/dbraw/zinc/27/83/85/156278385.db2.gz STMSQQUYVNWBTL-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM CSc1nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[n-]1 ZINC000354123136 156278387 /nfs/dbraw/zinc/27/83/87/156278387.db2.gz STMSQQUYVNWBTL-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362972885 159281069 /nfs/dbraw/zinc/28/10/69/159281069.db2.gz QNGLVKPICNHPJA-IWIIMEHWSA-N -1 3 296.348 1.980 20 5 CDBDHM C[C@@H]1CC([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)=NO1 ZINC000270630540 287226633 /nfs/dbraw/zinc/22/66/33/287226633.db2.gz VEAUYCUNCSMFOL-ZCFIWIBFSA-N -1 3 267.216 1.586 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590222992 1173305635 /nfs/dbraw/zinc/30/56/35/1173305635.db2.gz YJGDKHLUKDGBCN-JGVFFNPUSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@H]1C[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590222992 1173305643 /nfs/dbraw/zinc/30/56/43/1173305643.db2.gz YJGDKHLUKDGBCN-JGVFFNPUSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCN1C ZINC000436824185 289058773 /nfs/dbraw/zinc/05/87/73/289058773.db2.gz ACDSKBYDYZDQJZ-BXKDBHETSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCCC1 ZINC000548180841 289855382 /nfs/dbraw/zinc/85/53/82/289855382.db2.gz HVSDPLVDIBHSOE-SNVBAGLBSA-N -1 3 293.323 1.515 20 5 CDBDHM CS[C@@H](C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591688957 1173680425 /nfs/dbraw/zinc/68/04/25/1173680425.db2.gz GBDIWEVKVVZWQH-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM CSCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591701500 1173689531 /nfs/dbraw/zinc/68/95/31/1173689531.db2.gz ROZIDANFXFXPRV-UHFFFAOYSA-N -1 3 280.313 1.550 20 5 CDBDHM CSCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591701500 1173689535 /nfs/dbraw/zinc/68/95/35/1173689535.db2.gz ROZIDANFXFXPRV-UHFFFAOYSA-N -1 3 280.313 1.550 20 5 CDBDHM C[C@@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736235813 575598547 /nfs/dbraw/zinc/59/85/47/575598547.db2.gz GSVPKADFVAFLGZ-RNFRBKRXSA-N -1 3 275.272 1.238 20 5 CDBDHM C[C@@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736235813 575598549 /nfs/dbraw/zinc/59/85/49/575598549.db2.gz GSVPKADFVAFLGZ-RNFRBKRXSA-N -1 3 275.272 1.238 20 5 CDBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nnn1C ZINC000741529247 576564456 /nfs/dbraw/zinc/56/44/56/576564456.db2.gz FQMLNYBTEFYFGZ-UHFFFAOYSA-N -1 3 297.221 1.562 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CN(CC)CC(=O)[O-] ZINC000830094644 601305540 /nfs/dbraw/zinc/30/55/40/601305540.db2.gz TUYZWAGKADVSRB-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM CS[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826226409 607733443 /nfs/dbraw/zinc/73/34/43/607733443.db2.gz YXIXIRBLFAYSHV-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM CS[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826226409 607733444 /nfs/dbraw/zinc/73/34/44/607733444.db2.gz YXIXIRBLFAYSHV-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM O=[N+]([O-])c1cccc(Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826499547 607891420 /nfs/dbraw/zinc/89/14/20/607891420.db2.gz MUXSZRKROOZXHS-UHFFFAOYSA-N -1 3 270.252 1.625 20 5 CDBDHM O=[N+]([O-])c1cccc(Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826499547 607891421 /nfs/dbraw/zinc/89/14/21/607891421.db2.gz MUXSZRKROOZXHS-UHFFFAOYSA-N -1 3 270.252 1.625 20 5 CDBDHM COc1c([O-])ccc(CN2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000891541754 617466758 /nfs/dbraw/zinc/46/67/58/617466758.db2.gz HJZJMBLBQCQOOO-SECBINFHSA-N -1 3 282.296 1.530 20 5 CDBDHM C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000903600544 626031144 /nfs/dbraw/zinc/03/11/44/626031144.db2.gz CQNSQHBPJBHGLX-ONGXEEELSA-N -1 3 279.296 1.675 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CSC1 ZINC001607083242 1164070172 /nfs/dbraw/zinc/07/01/72/1164070172.db2.gz CDXUKWBNYBQGIG-UHFFFAOYSA-N -1 3 278.297 1.302 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CSC1 ZINC001607083242 1164070181 /nfs/dbraw/zinc/07/01/81/1164070181.db2.gz CDXUKWBNYBQGIG-UHFFFAOYSA-N -1 3 278.297 1.302 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001607079322 1164072096 /nfs/dbraw/zinc/07/20/96/1164072096.db2.gz GHWXEGBVMAPLNN-SECBINFHSA-N -1 3 290.283 1.366 20 5 CDBDHM Cc1cn(Cc2ccc(-c3nnn[n-]3)c(C)c2)nc1[N+](=O)[O-] ZINC001609404024 1164930998 /nfs/dbraw/zinc/93/09/98/1164930998.db2.gz XCQPMASEFVTBIV-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM Cc1cn(Cc2ccc(-c3nn[n-]n3)c(C)c2)nc1[N+](=O)[O-] ZINC001609404024 1164931003 /nfs/dbraw/zinc/93/10/03/1164931003.db2.gz XCQPMASEFVTBIV-UHFFFAOYSA-N -1 3 299.294 1.637 20 5 CDBDHM COCCCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591412337 1173649378 /nfs/dbraw/zinc/64/93/78/1173649378.db2.gz LCGNQLIAYCBDQK-UHFFFAOYSA-N -1 3 292.299 1.613 20 5 CDBDHM Cc1cc(SC[C@@H](C)O)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592066915 1173791141 /nfs/dbraw/zinc/79/11/41/1173791141.db2.gz HCOLHOWJZDSRKD-SSDOTTSWSA-N -1 3 295.324 1.556 20 5 CDBDHM Cc1cc(SC[C@@H](C)O)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592066915 1173791149 /nfs/dbraw/zinc/79/11/49/1173791149.db2.gz HCOLHOWJZDSRKD-SSDOTTSWSA-N -1 3 295.324 1.556 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC1CSC1 ZINC001593474149 1174082131 /nfs/dbraw/zinc/08/21/31/1174082131.db2.gz GGBGJXPLAQWOAW-UHFFFAOYSA-N -1 3 278.297 1.302 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC1CSC1 ZINC001593474149 1174082136 /nfs/dbraw/zinc/08/21/36/1174082136.db2.gz GGBGJXPLAQWOAW-UHFFFAOYSA-N -1 3 278.297 1.302 20 5 CDBDHM C[C@@H]1COC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603949154 1175694351 /nfs/dbraw/zinc/69/43/51/1175694351.db2.gz VACOZBNWRLLNRN-XCBNKYQSSA-N -1 3 290.283 1.222 20 5 CDBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])[N-]OC[C@@H]1CCOC1 ZINC000845996438 738204089 /nfs/dbraw/zinc/20/40/89/738204089.db2.gz PRCMSJAIJRJGDE-SECBINFHSA-N -1 3 298.270 1.361 20 5 CDBDHM O=C([O-])[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351186 736979565 /nfs/dbraw/zinc/97/95/65/736979565.db2.gz YUEVNLUZIDPFSV-AAEUAGOBSA-N -1 3 294.307 1.425 20 5 CDBDHM CCOC(=O)[C@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664155 903630473 /nfs/dbraw/zinc/63/04/73/903630473.db2.gz KYLHRHUXLCLMHY-OCAPTIKFSA-N -1 3 282.252 1.416 20 5 CDBDHM COC(=O)c1cnn(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819568 925856850 /nfs/dbraw/zinc/85/68/50/925856850.db2.gz YPBPZYLRKPHYFR-UHFFFAOYSA-N -1 3 292.251 1.564 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncnn3cccc23)c1 ZINC001199801821 925867711 /nfs/dbraw/zinc/86/77/11/925867711.db2.gz KAYDGFYJRGWAAU-UHFFFAOYSA-N -1 3 271.236 1.509 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nccn3cnnc23)c1 ZINC001199814051 925876664 /nfs/dbraw/zinc/87/66/64/925876664.db2.gz CHZJVWPTLJHBAM-UHFFFAOYSA-N -1 3 272.224 1.482 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ncc([N+](=O)[O-])cc1F ZINC001156277940 927894864 /nfs/dbraw/zinc/89/48/64/927894864.db2.gz KDQFKBJGOQPOSQ-SSDOTTSWSA-N -1 3 281.247 1.053 20 5 CDBDHM COC(=O)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000853524663 928037427 /nfs/dbraw/zinc/03/74/27/928037427.db2.gz ZUNGXAASTYTERU-YUMQZZPRSA-N -1 3 281.268 1.083 20 5 CDBDHM Cc1nc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001156279181 938345077 /nfs/dbraw/zinc/34/50/77/938345077.db2.gz SZEZLTMTQYDYED-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM COC(=O)[C@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225662433 941896059 /nfs/dbraw/zinc/89/60/59/941896059.db2.gz SXEZATOWEDKNSK-KNVOCYPGSA-N -1 3 268.225 1.026 20 5 CDBDHM C[C@@H]1COCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664985 941897077 /nfs/dbraw/zinc/89/70/77/941897077.db2.gz VZCGXLARRWYUOO-APPZFPTMSA-N -1 3 254.242 1.499 20 5 CDBDHM Cc1ncc(N[C@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001254548066 947517365 /nfs/dbraw/zinc/51/73/65/947517365.db2.gz GFEMHTWXYFHXEZ-SKDRFNHKSA-N -1 3 288.307 1.513 20 5 CDBDHM C[C@@H](NCCOCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589128167 956176606 /nfs/dbraw/zinc/17/66/06/956176606.db2.gz AVCSAGYUPKOSJN-SECBINFHSA-N -1 3 268.269 1.347 20 5 CDBDHM COc1c(O)ccc(CN(C)CCCC(=O)[O-])c1[N+](=O)[O-] ZINC001594048126 957952953 /nfs/dbraw/zinc/95/29/53/957952953.db2.gz KUOPJPAJWWWJBG-UHFFFAOYSA-N -1 3 298.295 1.606 20 5 CDBDHM O=C(CCOc1ccccc1[N+](=O)[O-])[N-]OC1CCC1 ZINC001344507980 964336015 /nfs/dbraw/zinc/33/60/15/964336015.db2.gz HVYAMLPTBBYCMX-UHFFFAOYSA-N -1 3 280.280 1.964 20 5 CDBDHM C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001522828511 970580829 /nfs/dbraw/zinc/58/08/29/970580829.db2.gz WONBRNLFIPMLNO-LPEHRKFASA-N -1 3 293.323 1.511 20 5 CDBDHM CN(CC1CN(C)C1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000709379086 977456815 /nfs/dbraw/zinc/45/68/15/977456815.db2.gz AYTCQSQRYOSFDF-UHFFFAOYSA-N -1 3 279.296 1.291 20 5 CDBDHM O=[N+]([O-])c1cnc(NCCCCF)c(-c2nnn[n-]2)c1 ZINC001593485067 1174084507 /nfs/dbraw/zinc/08/45/07/1174084507.db2.gz PMHVETNBCRYWLJ-UHFFFAOYSA-N -1 3 281.251 1.332 20 5 CDBDHM O=[N+]([O-])c1cnc(NCCCCF)c(-c2nn[n-]n2)c1 ZINC001593485067 1174084512 /nfs/dbraw/zinc/08/45/12/1174084512.db2.gz PMHVETNBCRYWLJ-UHFFFAOYSA-N -1 3 281.251 1.332 20 5 CDBDHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc([N+](=O)[O-])s1 ZINC000588875926 342223460 /nfs/dbraw/zinc/22/34/60/342223460.db2.gz MFYHFPKDRKYSFB-UHFFFAOYSA-N -1 3 296.308 1.042 20 5 CDBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cn1ccnc1 ZINC000596081555 343219926 /nfs/dbraw/zinc/21/99/26/343219926.db2.gz ZQMPPSZSYRFLLY-SECBINFHSA-N -1 3 277.284 1.640 20 5 CDBDHM CC(C)COC[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596081849 343219975 /nfs/dbraw/zinc/21/99/75/343219975.db2.gz ATUMJKDGBDDTAU-SECBINFHSA-N -1 3 285.300 1.141 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596106988 343228895 /nfs/dbraw/zinc/22/88/95/343228895.db2.gz XGORZXCNMSPJGP-QMMMGPOBSA-N -1 3 253.258 1.311 20 5 CDBDHM CC(C)(CCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596144302 343242847 /nfs/dbraw/zinc/24/28/47/343242847.db2.gz HCRQPONZJACUPG-UHFFFAOYSA-N -1 3 255.274 1.516 20 5 CDBDHM O=c1[n-]ccc(NCCOC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000596121462 343248148 /nfs/dbraw/zinc/24/81/48/343248148.db2.gz OWDRJIGUWABXIT-VIFPVBQESA-N -1 3 283.284 1.160 20 5 CDBDHM O=c1[n-]ccc(NCCN2CCSCC2)c1[N+](=O)[O-] ZINC000596120936 343248241 /nfs/dbraw/zinc/24/82/41/343248241.db2.gz DGCVLFMAVBFDAO-UHFFFAOYSA-N -1 3 284.341 1.156 20 5 CDBDHM CO[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596244778 343286022 /nfs/dbraw/zinc/28/60/22/343286022.db2.gz STEUORZZAGQVOB-VIFPVBQESA-N -1 3 253.258 1.532 20 5 CDBDHM Cc1nccn1CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596170280 343258571 /nfs/dbraw/zinc/25/85/71/343258571.db2.gz PUJUNDIKCPTKES-UHFFFAOYSA-N -1 3 291.311 1.727 20 5 CDBDHM CC(C)C(=O)NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596175418 343260449 /nfs/dbraw/zinc/26/04/49/343260449.db2.gz QUZWUDBIAPMIQK-UHFFFAOYSA-N -1 3 282.300 1.270 20 5 CDBDHM Cc1csc(NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596266099 343279888 /nfs/dbraw/zinc/27/98/88/343279888.db2.gz RRNYTKJRFZIDOA-UHFFFAOYSA-N -1 3 295.324 1.406 20 5 CDBDHM C[C@@H]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](C)O1 ZINC000596270403 343281612 /nfs/dbraw/zinc/28/16/12/343281612.db2.gz GKHRKDYAFRAKKK-VGMNWLOBSA-N -1 3 267.285 1.921 20 5 CDBDHM C[S@](=O)[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596366228 343305395 /nfs/dbraw/zinc/30/53/95/343305395.db2.gz NACODAPXQXEHAX-FRUKKLPWSA-N -1 3 299.352 1.797 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]C2CC=CC2)cc1[N+](=O)[O-] ZINC000125541688 351452078 /nfs/dbraw/zinc/45/20/78/351452078.db2.gz PQGCKVMCCUXZFX-UHFFFAOYSA-N -1 3 288.350 1.962 20 5 CDBDHM CC[C@H](C)[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000234014839 140228404 /nfs/dbraw/zinc/22/84/04/140228404.db2.gz BPJZYJZNPHHJPW-CPCISQLKSA-N -1 3 267.285 1.612 20 5 CDBDHM Cn1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)nn1 ZINC000341583808 358665592 /nfs/dbraw/zinc/66/55/92/358665592.db2.gz DVPUPKCDARWIFU-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])C1 ZINC000580897183 363952970 /nfs/dbraw/zinc/95/29/70/363952970.db2.gz FZYDDQPFSWKEOE-JTQLQIEISA-N -1 3 280.280 1.510 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC1 ZINC000416508644 242029616 /nfs/dbraw/zinc/02/96/16/242029616.db2.gz RTTRCUIZUDSERO-UHFFFAOYSA-N -1 3 286.309 1.434 20 5 CDBDHM O=C(Nc1ccc(O)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193895558 372061695 /nfs/dbraw/zinc/06/16/95/372061695.db2.gz NQDBMSOSRFNGMT-UHFFFAOYSA-N -1 3 293.210 1.792 20 5 CDBDHM CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179487967 372284548 /nfs/dbraw/zinc/28/45/48/372284548.db2.gz LIRWGTPSPLNAIW-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM CCOc1cc(CN(C)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000517042183 390968189 /nfs/dbraw/zinc/96/81/89/390968189.db2.gz NFBCPBBIGBHHHD-SECBINFHSA-N -1 3 282.296 1.898 20 5 CDBDHM C[C@@H](N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000185817762 391001432 /nfs/dbraw/zinc/00/14/32/391001432.db2.gz QYXRHOICRSMLFX-MRVPVSSYSA-N -1 3 279.296 1.956 20 5 CDBDHM COc1cc(CNCc2ccn(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000267111856 392138168 /nfs/dbraw/zinc/13/81/68/392138168.db2.gz RGJWMRICMHYIRW-UHFFFAOYSA-N -1 3 291.307 1.937 20 5 CDBDHM CSc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000354132783 156282106 /nfs/dbraw/zinc/28/21/06/156282106.db2.gz VLPFGENWVYEVSH-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM CSc1n[n-]c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000354132783 156282109 /nfs/dbraw/zinc/28/21/09/156282109.db2.gz VLPFGENWVYEVSH-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM CSc1nc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000354132783 156282113 /nfs/dbraw/zinc/28/21/13/156282113.db2.gz VLPFGENWVYEVSH-UHFFFAOYSA-N -1 3 293.308 1.616 20 5 CDBDHM COc1ccc(CN2CCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000035300621 172115734 /nfs/dbraw/zinc/11/57/34/172115734.db2.gz RBXFVMUDGINIGK-JTQLQIEISA-N -1 3 280.280 1.652 20 5 CDBDHM CCn1cnnc1[N-]C(=O)COc1ccccc1[N+](=O)[O-] ZINC000285699137 196370840 /nfs/dbraw/zinc/37/08/40/196370840.db2.gz HJAFBHQFVLPGOL-UHFFFAOYSA-N -1 3 291.267 1.224 20 5 CDBDHM CC1CC(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590211515 1173295926 /nfs/dbraw/zinc/29/59/26/1173295926.db2.gz HTKLOXHDIOWBNX-UHFFFAOYSA-N -1 3 275.272 1.380 20 5 CDBDHM CC1CC(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590211515 1173295929 /nfs/dbraw/zinc/29/59/29/1173295929.db2.gz HTKLOXHDIOWBNX-UHFFFAOYSA-N -1 3 275.272 1.380 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1Sc1n[n-]c(CO)n1 ZINC000553538292 290125719 /nfs/dbraw/zinc/12/57/19/290125719.db2.gz GRRLNCSOXXYYNB-UHFFFAOYSA-N -1 3 270.245 1.496 20 5 CDBDHM CCCN(C)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590619890 1173477120 /nfs/dbraw/zinc/47/71/20/1173477120.db2.gz KQCVRYYCAJPHJV-UHFFFAOYSA-N -1 3 280.263 1.760 20 5 CDBDHM CCCN(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590619890 1173477124 /nfs/dbraw/zinc/47/71/24/1173477124.db2.gz KQCVRYYCAJPHJV-UHFFFAOYSA-N -1 3 280.263 1.760 20 5 CDBDHM Cn1ncnc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000151072388 527637864 /nfs/dbraw/zinc/63/78/64/527637864.db2.gz GAWIATUMJMKTEA-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM COc1cc(C(=O)[N-]c2nc[nH]n2)cc([N+](=O)[O-])c1C ZINC000188969389 536541133 /nfs/dbraw/zinc/54/11/33/536541133.db2.gz YRNOXPVSWODZSE-UHFFFAOYSA-N -1 3 277.240 1.282 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1[N-]c1ccn(Cc2ccccn2)n1 ZINC000727826241 574600268 /nfs/dbraw/zinc/60/02/68/574600268.db2.gz ISMWXPQKBVOBIX-UHFFFAOYSA-N -1 3 299.294 1.712 20 5 CDBDHM CCCc1n[nH]c(C(=O)[N-]OCC(F)F)c1[N+](=O)[O-] ZINC000760161139 576462782 /nfs/dbraw/zinc/46/27/82/576462782.db2.gz UMASQFUCCCVBPC-UHFFFAOYSA-N -1 3 278.215 1.197 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2cocn2)c(-c2nnn[n-]2)c1 ZINC000738371652 576063379 /nfs/dbraw/zinc/06/33/79/576063379.db2.gz VXPUJXMYEQVUFZ-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2cocn2)c(-c2nn[n-]n2)c1 ZINC000738371652 576063382 /nfs/dbraw/zinc/06/33/82/576063382.db2.gz VXPUJXMYEQVUFZ-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM COc1cccc(C(=O)[N-]OCC(F)F)c1[N+](=O)[O-] ZINC000768212688 576265141 /nfs/dbraw/zinc/26/51/41/576265141.db2.gz SYXQQDMIWGGGCD-UHFFFAOYSA-N -1 3 276.195 1.530 20 5 CDBDHM C[C@@H](C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000768812852 576309772 /nfs/dbraw/zinc/30/97/72/576309772.db2.gz SEIKLODKIUEPEO-ZETCQYMHSA-N -1 3 290.366 1.981 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@H]2CCSC2)c(-c2nnn[n-]2)c1 ZINC000823651766 599078650 /nfs/dbraw/zinc/07/86/50/599078650.db2.gz PHEWIZJHOYURBV-LURJTMIESA-N -1 3 293.312 1.087 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@H]2CCSC2)c(-c2nn[n-]n2)c1 ZINC000823651766 599078653 /nfs/dbraw/zinc/07/86/53/599078653.db2.gz PHEWIZJHOYURBV-LURJTMIESA-N -1 3 293.312 1.087 20 5 CDBDHM CC(C)[C@H](NCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000817977710 597107332 /nfs/dbraw/zinc/10/73/32/597107332.db2.gz XBONWBMRQKUYEG-NSHDSACASA-N -1 3 270.260 1.933 20 5 CDBDHM C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820717961 606417604 /nfs/dbraw/zinc/41/76/04/606417604.db2.gz ZHSPXFYRSCHNMA-ZETCQYMHSA-N -1 3 275.272 1.159 20 5 CDBDHM C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820717961 606417606 /nfs/dbraw/zinc/41/76/06/606417606.db2.gz ZHSPXFYRSCHNMA-ZETCQYMHSA-N -1 3 275.272 1.159 20 5 CDBDHM Cc1n[nH]cc1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001606014620 1163743462 /nfs/dbraw/zinc/74/34/62/1163743462.db2.gz PCQMHDUSKVHGBK-UHFFFAOYSA-N -1 3 286.255 1.550 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccccn1 ZINC001582804250 1172692169 /nfs/dbraw/zinc/69/21/69/1172692169.db2.gz OTPARJIISNOENA-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccccn1 ZINC001582804250 1172692174 /nfs/dbraw/zinc/69/21/74/1172692174.db2.gz OTPARJIISNOENA-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM CCC1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590519646 1173447634 /nfs/dbraw/zinc/44/76/34/1173447634.db2.gz BSQGLMDGYOLGEG-UHFFFAOYSA-N -1 3 292.274 1.760 20 5 CDBDHM CCC1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590519646 1173447641 /nfs/dbraw/zinc/44/76/41/1173447641.db2.gz BSQGLMDGYOLGEG-UHFFFAOYSA-N -1 3 292.274 1.760 20 5 CDBDHM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824698498 739839668 /nfs/dbraw/zinc/83/96/68/739839668.db2.gz LPFBKGAJBWIVRI-HTQZYQBOSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824698498 739839671 /nfs/dbraw/zinc/83/96/71/739839671.db2.gz LPFBKGAJBWIVRI-HTQZYQBOSA-N -1 3 292.299 1.346 20 5 CDBDHM CC(=O)NC[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001046228988 739725639 /nfs/dbraw/zinc/72/56/39/739725639.db2.gz VSHFDWYACWDFAU-DTORHVGOSA-N -1 3 280.284 1.022 20 5 CDBDHM O=C([O-])[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000874047298 740019817 /nfs/dbraw/zinc/01/98/17/740019817.db2.gz UGGHDOOFBNLMPD-OCAPTIKFSA-N -1 3 256.283 1.609 20 5 CDBDHM Nc1[nH]c(=O)[n-]c(=O)c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475181 913184114 /nfs/dbraw/zinc/18/41/14/913184114.db2.gz FKCDYYHZPCYAOR-UHFFFAOYSA-N -1 3 263.213 1.122 20 5 CDBDHM Cc1nc(Cl)c([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162298993 922207907 /nfs/dbraw/zinc/20/79/07/922207907.db2.gz YWKHPTCCNTXLKC-ZCFIWIBFSA-N -1 3 296.674 1.157 20 5 CDBDHM NC(=O)c1ncsc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818893 925855150 /nfs/dbraw/zinc/85/51/50/925855150.db2.gz GDTXGRKVIKHTMU-UHFFFAOYSA-N -1 3 280.265 1.599 20 5 CDBDHM Cc1cc(NCCCc2c[n-][nH]c2=O)ncc1[N+](=O)[O-] ZINC001164374973 939467405 /nfs/dbraw/zinc/46/74/05/939467405.db2.gz QMNYAKAVMPLLNF-VIFPVBQESA-N -1 3 277.284 1.222 20 5 CDBDHM COC(=O)[C@@]1(C)C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664444 941895527 /nfs/dbraw/zinc/89/55/27/941895527.db2.gz OHSFBKZJAPYVFJ-OGXFKERWSA-N -1 3 282.252 1.416 20 5 CDBDHM CCC(=O)[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666421 941897105 /nfs/dbraw/zinc/89/71/05/941897105.db2.gz IOTYEOJMZSUHLQ-VIFPVBQESA-N -1 3 254.242 1.832 20 5 CDBDHM Cc1[n-]c(=O)cc(OC[C@@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC001228685385 942358110 /nfs/dbraw/zinc/35/81/10/942358110.db2.gz GYUGZKGWDANECE-CBAPKCEASA-N -1 3 268.269 1.950 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000592356870 342688468 /nfs/dbraw/zinc/68/84/68/342688468.db2.gz IYSLLEJAJTYANK-SNVBAGLBSA-N -1 3 276.252 1.775 20 5 CDBDHM CC1(C)CN[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000592558214 342709634 /nfs/dbraw/zinc/70/96/34/342709634.db2.gz BEUNXKJLLYQAKI-JTQLQIEISA-N -1 3 265.269 1.237 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](CO)CC1 ZINC000339756978 361875616 /nfs/dbraw/zinc/87/56/16/361875616.db2.gz ZNEKLQQFXBRFDW-NSHDSACASA-N -1 3 280.324 1.895 20 5 CDBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C[C@H](C)O ZINC000596136679 343240529 /nfs/dbraw/zinc/24/05/29/343240529.db2.gz WLYJWDMQHHODAE-SFYZADRCSA-N -1 3 255.274 1.514 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000596146898 343243973 /nfs/dbraw/zinc/24/39/73/343243973.db2.gz UCFVHPBKSMTJBY-WCBMZHEXSA-N -1 3 267.285 1.658 20 5 CDBDHM CCC1(CO)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596176294 343260861 /nfs/dbraw/zinc/26/08/61/343260861.db2.gz CCYKCDLWJKIWFH-UHFFFAOYSA-N -1 3 281.312 1.684 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)S1=O ZINC000596205654 343265573 /nfs/dbraw/zinc/26/55/73/343265573.db2.gz CUKOVTTVGLBFQK-HTQZYQBOSA-N -1 3 285.325 1.041 20 5 CDBDHM CC(=O)N1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596226658 343272200 /nfs/dbraw/zinc/27/22/00/343272200.db2.gz WTKZCWCNJQIYEC-SNVBAGLBSA-N -1 3 294.311 1.366 20 5 CDBDHM CN(Cc1noc(C2CC2)n1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596279477 343296880 /nfs/dbraw/zinc/29/68/80/343296880.db2.gz QQBZMEMDPNISLP-UHFFFAOYSA-N -1 3 291.267 1.592 20 5 CDBDHM CON1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596279677 343297239 /nfs/dbraw/zinc/29/72/39/343297239.db2.gz SVUNRDFXHXDRRM-UHFFFAOYSA-N -1 3 268.273 1.133 20 5 CDBDHM COC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nn1 ZINC000619602181 349816942 /nfs/dbraw/zinc/81/69/42/349816942.db2.gz GCODPNBOKOUZOK-UHFFFAOYSA-N -1 3 292.207 1.017 20 5 CDBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1CO ZINC000598637820 343863854 /nfs/dbraw/zinc/86/38/54/343863854.db2.gz NBZGDDCYZRADMN-IUCAKERBSA-N -1 3 267.285 1.150 20 5 CDBDHM CC1(C)[C@H](O)C[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000555582635 290227096 /nfs/dbraw/zinc/22/70/96/290227096.db2.gz HRBFUELIVOQAFH-VXGBXAGGSA-N -1 3 266.297 1.549 20 5 CDBDHM COCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000165156412 356379129 /nfs/dbraw/zinc/37/91/29/356379129.db2.gz IVDHAWCNGKSZHD-UHFFFAOYSA-N -1 3 288.325 1.600 20 5 CDBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCCN(C)C1 ZINC000187145448 357732409 /nfs/dbraw/zinc/73/24/09/357732409.db2.gz UTDSGBNIXAWOKW-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM CC(C)=CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000190236420 535371086 /nfs/dbraw/zinc/37/10/86/535371086.db2.gz AZWAVHGGAROPGM-UHFFFAOYSA-N -1 3 288.300 1.978 20 5 CDBDHM COC[C@@](C)(NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000053197984 361192513 /nfs/dbraw/zinc/19/25/13/361192513.db2.gz FDRVTZYELFZEHK-GFCCVEGCSA-N -1 3 268.269 1.174 20 5 CDBDHM COc1cc(F)cc([N-]c2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000301652792 201116176 /nfs/dbraw/zinc/11/61/76/201116176.db2.gz QVENSXYOWGTSHH-UHFFFAOYSA-N -1 3 279.231 1.858 20 5 CDBDHM Cc1[nH]nc(C(=O)Nc2cccc([O-])c2F)c1[N+](=O)[O-] ZINC000582435934 364089031 /nfs/dbraw/zinc/08/90/31/364089031.db2.gz YLEGKTFUKNDYPN-UHFFFAOYSA-N -1 3 280.215 1.723 20 5 CDBDHM Cc1noc([N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000042702452 364612380 /nfs/dbraw/zinc/61/23/80/364612380.db2.gz QLYMVLMEYWFYOS-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM Cc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000345929113 364962775 /nfs/dbraw/zinc/96/27/75/364962775.db2.gz OBJPIHRQYJIZQB-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM C[C@@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1C ZINC000386459653 367008866 /nfs/dbraw/zinc/00/88/66/367008866.db2.gz IHLOMZVWQJTKOC-BDAKNGLRSA-N -1 3 294.311 1.583 20 5 CDBDHM C[C@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272491902 367742636 /nfs/dbraw/zinc/74/26/36/367742636.db2.gz HVWDUDQCSAHTMD-SSDOTTSWSA-N -1 3 274.223 1.184 20 5 CDBDHM CCN1CCC(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000387366239 367909265 /nfs/dbraw/zinc/90/92/65/367909265.db2.gz LAAMXSVKAYZORS-UHFFFAOYSA-N -1 3 294.311 1.584 20 5 CDBDHM Cc1c(CN(CC(=O)[O-])C2CC2)cccc1[N+](=O)[O-] ZINC000037598004 369224550 /nfs/dbraw/zinc/22/45/50/369224550.db2.gz OVWHIYMFPFSSQG-UHFFFAOYSA-N -1 3 264.281 1.952 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncccc1[O-] ZINC000299260130 374652805 /nfs/dbraw/zinc/65/28/05/374652805.db2.gz FSAQWXCJVJCWJI-UHFFFAOYSA-N -1 3 291.267 1.229 20 5 CDBDHM O=C(N=c1cc(C2CCCC2)[nH][nH]1)c1cc([N+](=O)[O-])[n-]n1 ZINC000352987266 375560863 /nfs/dbraw/zinc/56/08/63/375560863.db2.gz LGIZFSQIVQHPMY-UHFFFAOYSA-N -1 3 290.283 1.373 20 5 CDBDHM O=C(N=c1cc(C2CCCC2)[nH][nH]1)c1cc([N+](=O)[O-])n[n-]1 ZINC000352987266 375560870 /nfs/dbraw/zinc/56/08/70/375560870.db2.gz LGIZFSQIVQHPMY-UHFFFAOYSA-N -1 3 290.283 1.373 20 5 CDBDHM CC(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232630776 375832717 /nfs/dbraw/zinc/83/27/17/375832717.db2.gz VLXAIHRQFWRQDI-UHFFFAOYSA-N -1 3 253.258 1.237 20 5 CDBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nc[n-]n1 ZINC000435940512 248210504 /nfs/dbraw/zinc/21/05/04/248210504.db2.gz RLLBYNZOOJCTMM-UHFFFAOYSA-N -1 3 299.250 1.355 20 5 CDBDHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000547760408 377822133 /nfs/dbraw/zinc/82/21/33/377822133.db2.gz MONNKDAEICIKKK-UHFFFAOYSA-N -1 3 280.215 1.093 20 5 CDBDHM Cc1ccc(NC([O-])=NOCC(C)(C)O)cc1[N+](=O)[O-] ZINC000278667040 194091876 /nfs/dbraw/zinc/09/18/76/194091876.db2.gz QSMYVSIHSPKUSV-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1ccc(NC(=O)[N-]OCC(C)(C)O)cc1[N+](=O)[O-] ZINC000278667040 194091878 /nfs/dbraw/zinc/09/18/78/194091878.db2.gz QSMYVSIHSPKUSV-UHFFFAOYSA-N -1 3 283.284 1.727 20 5 CDBDHM Cc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)on1 ZINC000175669274 390650120 /nfs/dbraw/zinc/65/01/20/390650120.db2.gz IJMPORKDYXYOKL-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM C[C@@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC000517159804 390968497 /nfs/dbraw/zinc/96/84/97/390968497.db2.gz ZOOZFUFEQARUTI-QMMMGPOBSA-N -1 3 293.279 1.889 20 5 CDBDHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000191033087 130174955 /nfs/dbraw/zinc/17/49/55/130174955.db2.gz DZLOLFCWFFWGGQ-SECBINFHSA-N -1 3 281.268 1.684 20 5 CDBDHM CN1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000134183411 391939941 /nfs/dbraw/zinc/93/99/41/391939941.db2.gz BGEJAMWCNSRMSL-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM Cc1cc(Sc2n[n-]c(CO)n2)ccc1[N+](=O)[O-] ZINC000526073964 270639382 /nfs/dbraw/zinc/63/93/82/270639382.db2.gz GDRRLMWHZWHDLW-UHFFFAOYSA-N -1 3 266.282 1.665 20 5 CDBDHM CC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590383789 1173383373 /nfs/dbraw/zinc/38/33/73/1173383373.db2.gz HSXLTUGHNDVRSU-LBPRGKRZSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@H](N)[C@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420268453 289785768 /nfs/dbraw/zinc/78/57/68/289785768.db2.gz SDMMNSFVEQPBHQ-YUMQZZPRSA-N -1 3 277.284 1.214 20 5 CDBDHM CCN(CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1OC ZINC000563283635 293333275 /nfs/dbraw/zinc/33/32/75/293333275.db2.gz RYWDSAVOWPGWKH-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000356185114 523596792 /nfs/dbraw/zinc/59/67/92/523596792.db2.gz MTKNWXVBOXNZSQ-UHFFFAOYSA-N -1 3 291.267 1.467 20 5 CDBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736279125 575610688 /nfs/dbraw/zinc/61/06/88/575610688.db2.gz KSPWODFNKXEFBT-QMMMGPOBSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736279125 575610690 /nfs/dbraw/zinc/61/06/90/575610690.db2.gz KSPWODFNKXEFBT-QMMMGPOBSA-N -1 3 274.284 1.621 20 5 CDBDHM CSC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737175507 575894713 /nfs/dbraw/zinc/89/47/13/575894713.db2.gz FEKDSQHZNOVVHH-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM CSC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737175507 575894714 /nfs/dbraw/zinc/89/47/14/575894714.db2.gz FEKDSQHZNOVVHH-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM COCCCN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826155782 607567442 /nfs/dbraw/zinc/56/74/42/607567442.db2.gz BSAOBSMGDMTHFK-UHFFFAOYSA-N -1 3 292.299 1.248 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000823646933 606060468 /nfs/dbraw/zinc/06/04/68/606060468.db2.gz DHHYFGSIOLMQQK-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000823646933 606060474 /nfs/dbraw/zinc/06/04/74/606060474.db2.gz DHHYFGSIOLMQQK-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCn1cccc1 ZINC000823629827 606476716 /nfs/dbraw/zinc/47/67/16/606476716.db2.gz IXNAZBVHGRFMGZ-UHFFFAOYSA-N -1 3 299.294 1.689 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCn1cccc1 ZINC000823629827 606476718 /nfs/dbraw/zinc/47/67/18/606476718.db2.gz IXNAZBVHGRFMGZ-UHFFFAOYSA-N -1 3 299.294 1.689 20 5 CDBDHM C[C@@H](F)CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609116983 1164781238 /nfs/dbraw/zinc/78/12/38/1164781238.db2.gz FSRHPARGJMJEQR-SSDOTTSWSA-N -1 3 280.263 1.935 20 5 CDBDHM C[C@@H](F)CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609116983 1164781244 /nfs/dbraw/zinc/78/12/44/1164781244.db2.gz FSRHPARGJMJEQR-SSDOTTSWSA-N -1 3 280.263 1.935 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC1CCOCC1 ZINC001609602634 1165001797 /nfs/dbraw/zinc/00/17/97/1165001797.db2.gz APYZQHLCPJHTER-UHFFFAOYSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC1CCOCC1 ZINC001609602634 1165001801 /nfs/dbraw/zinc/00/18/01/1165001801.db2.gz APYZQHLCPJHTER-UHFFFAOYSA-N -1 3 290.283 1.366 20 5 CDBDHM C[C@@](CO)(NCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC001604196053 1167853273 /nfs/dbraw/zinc/85/32/73/1167853273.db2.gz NJYUPYODUUBUJV-NSHDSACASA-N -1 3 288.687 1.173 20 5 CDBDHM CC(C)[C@@H]1C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589763370 1173175594 /nfs/dbraw/zinc/17/55/94/1173175594.db2.gz GUFMDDPAMULLBC-DTWKUNHWSA-N -1 3 289.299 1.626 20 5 CDBDHM CC(C)[C@@H]1C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589763370 1173175596 /nfs/dbraw/zinc/17/55/96/1173175596.db2.gz GUFMDDPAMULLBC-DTWKUNHWSA-N -1 3 289.299 1.626 20 5 CDBDHM C[C@H](O)C1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589993831 1173223587 /nfs/dbraw/zinc/22/35/87/1173223587.db2.gz CJPGOFNTQUCZCX-ZETCQYMHSA-N -1 3 290.283 1.100 20 5 CDBDHM C[C@H](O)C1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589993831 1173223599 /nfs/dbraw/zinc/22/35/99/1173223599.db2.gz CJPGOFNTQUCZCX-ZETCQYMHSA-N -1 3 290.283 1.100 20 5 CDBDHM CO[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591467743 1173656573 /nfs/dbraw/zinc/65/65/73/1173656573.db2.gz XPNQEZSETJLWMW-QMMMGPOBSA-N -1 3 292.299 1.530 20 5 CDBDHM CO[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591467743 1173656575 /nfs/dbraw/zinc/65/65/75/1173656575.db2.gz XPNQEZSETJLWMW-QMMMGPOBSA-N -1 3 292.299 1.530 20 5 CDBDHM O=[N+]([O-])c1ccn(-c2cc(F)ccc2-c2nnn[n-]2)n1 ZINC001593486754 1174085694 /nfs/dbraw/zinc/08/56/94/1174085694.db2.gz KMESHCKOJBMLSI-UHFFFAOYSA-N -1 3 275.203 1.100 20 5 CDBDHM O=[N+]([O-])c1ccn(-c2cc(F)ccc2-c2nn[n-]n2)n1 ZINC001593486754 1174085702 /nfs/dbraw/zinc/08/57/02/1174085702.db2.gz KMESHCKOJBMLSI-UHFFFAOYSA-N -1 3 275.203 1.100 20 5 CDBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H]2C)n1 ZINC001600107627 1174363389 /nfs/dbraw/zinc/36/33/89/1174363389.db2.gz ZPKSFNKEEKNJDO-SCZZXKLOSA-N -1 3 294.311 1.501 20 5 CDBDHM C[C@H](CO)CSc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609114822 1164776660 /nfs/dbraw/zinc/77/66/60/1164776660.db2.gz YBLLFYJYZAUYSV-SSDOTTSWSA-N -1 3 295.324 1.495 20 5 CDBDHM C[C@H](CO)CSc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609114822 1164776666 /nfs/dbraw/zinc/77/66/66/1164776666.db2.gz YBLLFYJYZAUYSV-SSDOTTSWSA-N -1 3 295.324 1.495 20 5 CDBDHM CCN(CC(F)F)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609222140 1164852080 /nfs/dbraw/zinc/85/20/80/1164852080.db2.gz OTEYBIUAKUDGRN-UHFFFAOYSA-N -1 3 298.253 1.866 20 5 CDBDHM CC1(C)OCC[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609819483 1165096115 /nfs/dbraw/zinc/09/61/15/1165096115.db2.gz HQMOWAAVLKQVOO-GFCCVEGCSA-N -1 3 294.307 1.950 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C=CCC2)c(F)c1 ZINC000849429779 748685393 /nfs/dbraw/zinc/68/53/93/748685393.db2.gz DJVVLJWDYRVTTM-QMMMGPOBSA-N -1 3 286.284 1.731 20 5 CDBDHM Cc1ncc(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001173226942 912321315 /nfs/dbraw/zinc/32/13/15/912321315.db2.gz DUTWHQSMBDPQKG-RNCFNFMXSA-N -1 3 288.307 1.513 20 5 CDBDHM CC(=O)NCCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001094907319 911670572 /nfs/dbraw/zinc/67/05/72/911670572.db2.gz KNJGXDYAWMMCJA-UHFFFAOYSA-N -1 3 296.327 1.804 20 5 CDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2CO)c1 ZINC001199819463 925856607 /nfs/dbraw/zinc/85/66/07/925856607.db2.gz SHGPUEZCVQHLTQ-UHFFFAOYSA-N -1 3 261.237 1.931 20 5 CDBDHM O=[N+]([O-])c1cc(NCc2ncccc2[O-])cn2ccnc12 ZINC001169733502 928400613 /nfs/dbraw/zinc/40/06/13/928400613.db2.gz WTHGONZTAAECCA-UHFFFAOYSA-N -1 3 285.263 1.955 20 5 CDBDHM O=C(Nc1ccn(CCF)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001152285571 937351016 /nfs/dbraw/zinc/35/10/16/937351016.db2.gz QWVOAUDGYMYFKH-UHFFFAOYSA-N -1 3 295.230 1.114 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001156277540 938344644 /nfs/dbraw/zinc/34/46/44/938344644.db2.gz GTOGUOMDXWDCMV-ZETCQYMHSA-N -1 3 297.702 1.567 20 5 CDBDHM O=c1cc(Nc2ccc([N+](=O)[O-])nc2)[nH]c(=S)[n-]1 ZINC001203567173 939693813 /nfs/dbraw/zinc/69/38/13/939693813.db2.gz ZZAFKJKVLCBZRK-UHFFFAOYSA-N -1 3 265.254 1.518 20 5 CDBDHM Cc1cc2[n-]c(OC3CN(C)C3)nc2cc1[N+](=O)[O-] ZINC001228672677 942354038 /nfs/dbraw/zinc/35/40/38/942354038.db2.gz YRELJHIDHHBDDS-UHFFFAOYSA-N -1 3 262.269 1.472 20 5 CDBDHM Cc1cc2[n-]c(O[C@@H]3CCOC3)nc2cc1[N+](=O)[O-] ZINC001228671227 942354354 /nfs/dbraw/zinc/35/43/54/942354354.db2.gz FHGFQFGPCCYBPI-MRVPVSSYSA-N -1 3 263.253 1.947 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cncnc2)c1[N+](=O)[O-] ZINC001228689071 942358739 /nfs/dbraw/zinc/35/87/39/942358739.db2.gz PKSHORKNVYNSOZ-QMMMGPOBSA-N -1 3 276.252 1.934 20 5 CDBDHM C[C@@](O)(CNCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001603263453 972449781 /nfs/dbraw/zinc/44/97/81/972449781.db2.gz LKPXXDJIVQJZTH-LLVKDONJSA-N -1 3 288.687 1.173 20 5 CDBDHM CC(C)(C)[C@@H](CO)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589712527 987845939 /nfs/dbraw/zinc/84/59/39/987845939.db2.gz YNHMNWYQKXXDGN-GFCCVEGCSA-N -1 3 296.323 1.790 20 5 CDBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001593717754 996237071 /nfs/dbraw/zinc/23/70/71/996237071.db2.gz RRECCWIHRYANSP-MXWKQRLJSA-N -1 3 294.307 1.423 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595634146 343122532 /nfs/dbraw/zinc/12/25/32/343122532.db2.gz BYRCTJGHUUARCE-NTZNESFSSA-N -1 3 292.335 1.893 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596135435 343239582 /nfs/dbraw/zinc/23/95/82/343239582.db2.gz UVJCUIXNMDLWBF-ZETCQYMHSA-N -1 3 293.201 1.463 20 5 CDBDHM O=c1[n-]ccc(S[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000596186839 343252000 /nfs/dbraw/zinc/25/20/00/343252000.db2.gz MCKYAIOUFOHBTR-ZETCQYMHSA-N -1 3 256.283 1.967 20 5 CDBDHM O=c1[n-]ccc(N2CC(CC(F)F)C2)c1[N+](=O)[O-] ZINC000596282572 343287365 /nfs/dbraw/zinc/28/73/65/343287365.db2.gz XEWFIBBBGGIDBD-UHFFFAOYSA-N -1 3 259.212 1.787 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]([C@@H](CO)C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000596265811 343279735 /nfs/dbraw/zinc/27/97/35/343279735.db2.gz QIHKAUJSAVQBNU-CMPLNLGQSA-N -1 3 293.323 1.904 20 5 CDBDHM C[C@@H]1CO[C@@H](C)CN1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596432266 343319808 /nfs/dbraw/zinc/31/98/08/343319808.db2.gz RRLWOKIKPGHCSS-ZJUUUORDSA-N -1 3 296.327 1.217 20 5 CDBDHM CCOc1cc(CN2CC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000565896918 365746429 /nfs/dbraw/zinc/74/64/29/365746429.db2.gz ANVDBJFZMMSMIW-NSHDSACASA-N -1 3 294.307 1.900 20 5 CDBDHM COc1cc(CNC[C@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1[O-] ZINC000453635835 252330055 /nfs/dbraw/zinc/33/00/55/252330055.db2.gz VKGXMVBCYGNWMB-MWLCHTKSSA-N -1 3 296.323 1.966 20 5 CDBDHM CCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000609707943 345991556 /nfs/dbraw/zinc/99/15/56/345991556.db2.gz PZHSNEALUCWQPW-SECBINFHSA-N -1 3 252.270 1.890 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(F)F ZINC000555413880 290217624 /nfs/dbraw/zinc/21/76/24/290217624.db2.gz NYHYAJBEELWZEP-UHFFFAOYSA-N -1 3 294.279 1.837 20 5 CDBDHM CO[N-]C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000025825960 348657297 /nfs/dbraw/zinc/65/72/97/348657297.db2.gz WFBOJHZAQRJTDH-UHFFFAOYSA-N -1 3 292.194 1.496 20 5 CDBDHM CCCc1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000181266570 357330144 /nfs/dbraw/zinc/33/01/44/357330144.db2.gz CPMHCYBJCBGZNO-UHFFFAOYSA-N -1 3 281.297 1.979 20 5 CDBDHM Cc1nn(C)c([N-]c2cc(C3CC3)n(C)n2)c1[N+](=O)[O-] ZINC000291055003 358841032 /nfs/dbraw/zinc/84/10/32/358841032.db2.gz FCKNRZNSJJGTIL-UHFFFAOYSA-N -1 3 276.300 1.991 20 5 CDBDHM C[C@H](C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000051659013 358962913 /nfs/dbraw/zinc/96/29/13/358962913.db2.gz ZOWDIXUENCTEJF-SNVBAGLBSA-N -1 3 279.296 1.190 20 5 CDBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000342365353 359024064 /nfs/dbraw/zinc/02/40/64/359024064.db2.gz VTFZMUYMPIOPLC-QMMMGPOBSA-N -1 3 297.292 1.622 20 5 CDBDHM COCCCO[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287929310 359139209 /nfs/dbraw/zinc/13/92/09/359139209.db2.gz VBSUPRIBIYXPDW-UHFFFAOYSA-N -1 3 288.687 1.946 20 5 CDBDHM O=C(Nc1ncccn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000478656037 359176668 /nfs/dbraw/zinc/17/66/68/359176668.db2.gz COAOYBCUNQJJNH-UHFFFAOYSA-N -1 3 284.235 1.513 20 5 CDBDHM C[C@@H]1CCN(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000548124770 360277194 /nfs/dbraw/zinc/27/71/94/360277194.db2.gz RSKDHAHWVKROMB-SNVBAGLBSA-N -1 3 293.323 1.372 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000042704864 364613365 /nfs/dbraw/zinc/61/33/65/364613365.db2.gz BXVSAWSYRZUYIA-SECBINFHSA-N -1 3 282.296 1.756 20 5 CDBDHM CN1CC=C(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272592862 367780016 /nfs/dbraw/zinc/78/00/16/367780016.db2.gz SHAYXXASDNQNCF-UHFFFAOYSA-N -1 3 291.307 1.292 20 5 CDBDHM CC(=O)Nc1ncccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000353567873 375626703 /nfs/dbraw/zinc/62/67/03/375626703.db2.gz YEUCCCTXJWPBNZ-UHFFFAOYSA-N -1 3 290.235 1.794 20 5 CDBDHM COC(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173724338 378988576 /nfs/dbraw/zinc/98/85/76/378988576.db2.gz JCFJVDHQSZBXKB-UHFFFAOYSA-N -1 3 288.325 1.298 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC(C)(C)O ZINC000278628023 194075029 /nfs/dbraw/zinc/07/50/29/194075029.db2.gz NZZZPXYRUPOCLZ-UHFFFAOYSA-N -1 3 299.283 1.427 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)(C)O ZINC000278628023 194075032 /nfs/dbraw/zinc/07/50/32/194075032.db2.gz NZZZPXYRUPOCLZ-UHFFFAOYSA-N -1 3 299.283 1.427 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C ZINC000042985490 379672071 /nfs/dbraw/zinc/67/20/71/379672071.db2.gz OZJTWBANIABXCS-UHFFFAOYSA-N -1 3 288.325 1.680 20 5 CDBDHM CO[N-]C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281076886 195094621 /nfs/dbraw/zinc/09/46/21/195094621.db2.gz FPWFRFJPEGULLN-UHFFFAOYSA-N -1 3 254.242 1.350 20 5 CDBDHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000191214466 130203392 /nfs/dbraw/zinc/20/33/92/130203392.db2.gz IZLWBPFDBJECSE-ZETCQYMHSA-N -1 3 292.288 1.047 20 5 CDBDHM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228204459 140192574 /nfs/dbraw/zinc/19/25/74/140192574.db2.gz NWKKEIHJZHEPNN-DTWKUNHWSA-N -1 3 288.325 1.033 20 5 CDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C)n2)c1 ZINC000103255060 147167935 /nfs/dbraw/zinc/16/79/35/147167935.db2.gz RZJFOHDRPDNLEP-UHFFFAOYSA-N -1 3 293.308 1.996 20 5 CDBDHM Cc1cccc([O-])c1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000179559061 148119529 /nfs/dbraw/zinc/11/95/29/148119529.db2.gz YLBNNVHOUAEXGE-UHFFFAOYSA-N -1 3 276.252 1.444 20 5 CDBDHM Cc1ncc(CNc2ncccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000343607280 152242021 /nfs/dbraw/zinc/24/20/21/152242021.db2.gz PHOYNMGOQWFFHQ-UHFFFAOYSA-N -1 3 261.241 1.406 20 5 CDBDHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000038012167 173981400 /nfs/dbraw/zinc/98/14/00/173981400.db2.gz IFJIYVVXFGEVSY-UHFFFAOYSA-N -1 3 296.308 1.105 20 5 CDBDHM CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCC1 ZINC000281689635 289098840 /nfs/dbraw/zinc/09/88/40/289098840.db2.gz LHTXCFLZCRPIPY-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000263845409 294236078 /nfs/dbraw/zinc/23/60/78/294236078.db2.gz ZJEPYTMHWXRGNM-SECBINFHSA-N -1 3 288.325 1.298 20 5 CDBDHM CN1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000211970764 326867024 /nfs/dbraw/zinc/86/70/24/326867024.db2.gz WEWXNWLQXQVSCN-UHFFFAOYSA-N -1 3 279.296 1.799 20 5 CDBDHM C[C@@H](CO)CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736036631 575553059 /nfs/dbraw/zinc/55/30/59/575553059.db2.gz FRRVRQFCRRRHRI-ZETCQYMHSA-N -1 3 295.324 1.495 20 5 CDBDHM C[C@@H](CO)CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736036631 575553063 /nfs/dbraw/zinc/55/30/63/575553063.db2.gz FRRVRQFCRRRHRI-ZETCQYMHSA-N -1 3 295.324 1.495 20 5 CDBDHM CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000746444894 576776602 /nfs/dbraw/zinc/77/66/02/576776602.db2.gz IQFDOTYPEJBHNQ-UHFFFAOYSA-N -1 3 286.251 1.471 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000111255054 601511057 /nfs/dbraw/zinc/51/10/57/601511057.db2.gz OCQCMAVOJXHQCR-SKDRFNHKSA-N -1 3 294.307 1.756 20 5 CDBDHM CN(CC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077010248 604643305 /nfs/dbraw/zinc/64/33/05/604643305.db2.gz VGJMDMPCEQFLDO-UHFFFAOYSA-N -1 3 258.661 1.765 20 5 CDBDHM Cc1nn(Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826334735 609499638 /nfs/dbraw/zinc/49/96/38/609499638.db2.gz HROBRTKISORWPH-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1nn(Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826334735 609499640 /nfs/dbraw/zinc/49/96/40/609499640.db2.gz HROBRTKISORWPH-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2cc(-c3nnn[n-]3)ccc2F)cn1 ZINC001609603468 1165002654 /nfs/dbraw/zinc/00/26/54/1165002654.db2.gz GHSRYGGLLPEVJQ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC001609603468 1165002658 /nfs/dbraw/zinc/00/26/58/1165002658.db2.gz GHSRYGGLLPEVJQ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589995704 1173227089 /nfs/dbraw/zinc/22/70/89/1173227089.db2.gz LOUDQHCIAOHNHF-BQBZGAKWSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@H](O)[C@H](C)Sc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589995704 1173227091 /nfs/dbraw/zinc/22/70/91/1173227091.db2.gz LOUDQHCIAOHNHF-BQBZGAKWSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CO1 ZINC001590206030 1173292247 /nfs/dbraw/zinc/29/22/47/1173292247.db2.gz GTUFIXGYLZTZDO-APPZFPTMSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CO1 ZINC001590206030 1173292249 /nfs/dbraw/zinc/29/22/49/1173292249.db2.gz GTUFIXGYLZTZDO-APPZFPTMSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@H]1CC12CCC2 ZINC001593472282 1174080684 /nfs/dbraw/zinc/08/06/84/1174080684.db2.gz XRFNAZZVJYUPEE-VIFPVBQESA-N -1 3 287.283 1.524 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@H]1CC12CCC2 ZINC001593472282 1174080688 /nfs/dbraw/zinc/08/06/88/1174080688.db2.gz XRFNAZZVJYUPEE-VIFPVBQESA-N -1 3 287.283 1.524 20 5 CDBDHM O=[N+]([O-])c1cc(N2CC[C@@H]2C(F)F)ccc1-c1nnn[n-]1 ZINC001593472186 1174083041 /nfs/dbraw/zinc/08/30/41/1174083041.db2.gz XINJTINQNJLYSK-MRVPVSSYSA-N -1 3 296.237 1.619 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603939556 1175692801 /nfs/dbraw/zinc/69/28/01/1175692801.db2.gz MRVHDABVEDQOMV-NKWVEPMBSA-N -1 3 289.299 1.202 20 5 CDBDHM C[C@@H]1[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603939556 1175692806 /nfs/dbraw/zinc/69/28/06/1175692806.db2.gz MRVHDABVEDQOMV-NKWVEPMBSA-N -1 3 289.299 1.202 20 5 CDBDHM CC(C)[C@H](CO)O[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000836905302 752980003 /nfs/dbraw/zinc/98/00/03/752980003.db2.gz INLPYWJPVDRFFR-LBPRGKRZSA-N -1 3 282.296 1.202 20 5 CDBDHM Cc1ccc(CSCCc2nnn[n-]2)cc1[N+](=O)[O-] ZINC000882190825 929959057 /nfs/dbraw/zinc/95/90/57/929959057.db2.gz PCPZCVFALOMEOH-UHFFFAOYSA-N -1 3 279.325 1.892 20 5 CDBDHM Cc1ccc(CSCCc2nn[n-]n2)cc1[N+](=O)[O-] ZINC000882190825 929959064 /nfs/dbraw/zinc/95/90/64/929959064.db2.gz PCPZCVFALOMEOH-UHFFFAOYSA-N -1 3 279.325 1.892 20 5 CDBDHM Cc1nnc([C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC001118529221 937636986 /nfs/dbraw/zinc/63/69/86/937636986.db2.gz LKEBCBUEWBGZPT-YFKPBYRVSA-N -1 3 265.229 1.560 20 5 CDBDHM COC(=O)C[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225662947 941895547 /nfs/dbraw/zinc/89/55/47/941895547.db2.gz WGCZMEVFDWWWRL-ZCFIWIBFSA-N -1 3 256.214 1.026 20 5 CDBDHM COC(=O)[C@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667421 941896770 /nfs/dbraw/zinc/89/67/70/941896770.db2.gz SPWXKJRXVUCKFZ-KYZUINATSA-N -1 3 296.279 1.806 20 5 CDBDHM COc1ccc([N-]c2nccn3cnnc23)c([N+](=O)[O-])c1 ZINC001248461302 949051956 /nfs/dbraw/zinc/05/19/56/949051956.db2.gz WWEUXONYAKBWHC-UHFFFAOYSA-N -1 3 286.251 1.785 20 5 CDBDHM CN(CCC(=O)[O-])Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774743 967602785 /nfs/dbraw/zinc/60/27/85/967602785.db2.gz ZGDDZXJQJFAQQW-UHFFFAOYSA-N -1 3 256.233 1.640 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000593730602 342830346 /nfs/dbraw/zinc/83/03/46/342830346.db2.gz OXYZOVCIOOYHPF-BDAKNGLRSA-N -1 3 282.296 1.802 20 5 CDBDHM CO[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596110113 343229950 /nfs/dbraw/zinc/22/99/50/343229950.db2.gz IZCJREUJDLVQEM-QMMMGPOBSA-N -1 3 253.258 1.311 20 5 CDBDHM CC(C)CO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596157726 343254636 /nfs/dbraw/zinc/25/46/36/343254636.db2.gz CZFJDTJSQNOVIR-JTQLQIEISA-N -1 3 281.312 1.947 20 5 CDBDHM O=c1[n-]ccc(N2CCO[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596135434 343239782 /nfs/dbraw/zinc/23/97/82/343239782.db2.gz UVJCUIXNMDLWBF-SSDOTTSWSA-N -1 3 293.201 1.463 20 5 CDBDHM CCO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596253606 343275312 /nfs/dbraw/zinc/27/53/12/343275312.db2.gz CDCKFOLWCDWLJF-GXSJLCMTSA-N -1 3 281.312 1.947 20 5 CDBDHM C[C@H]1CCN(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436979239 362241191 /nfs/dbraw/zinc/24/11/91/362241191.db2.gz LEFGPTAHDYMRFQ-JTQLQIEISA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1CO ZINC000598637822 343864010 /nfs/dbraw/zinc/86/40/10/343864010.db2.gz NBZGDDCYZRADMN-RKDXNWHRSA-N -1 3 267.285 1.150 20 5 CDBDHM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228204449 140193466 /nfs/dbraw/zinc/19/34/66/140193466.db2.gz NWKKEIHJZHEPNN-BDAKNGLRSA-N -1 3 288.325 1.033 20 5 CDBDHM CCN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000611271117 346731820 /nfs/dbraw/zinc/73/18/20/346731820.db2.gz GQTSYXUOJSIASI-LLVKDONJSA-N -1 3 279.340 1.826 20 5 CDBDHM C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000093028758 351304229 /nfs/dbraw/zinc/30/42/29/351304229.db2.gz SIBJUTXSEJSAIX-DTWKUNHWSA-N -1 3 252.270 1.794 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1[N-]c1cc2n(n1)CCCC2 ZINC000286249790 356236540 /nfs/dbraw/zinc/23/65/40/356236540.db2.gz DKJAJOSJKPICPG-UHFFFAOYSA-N -1 3 262.273 1.605 20 5 CDBDHM O=[N+]([O-])c1cccc2ncnc(NCc3ncccc3[O-])c21 ZINC000359883089 356432620 /nfs/dbraw/zinc/43/26/20/356432620.db2.gz WZQBNAAVVMJMHF-UHFFFAOYSA-N -1 3 297.274 1.673 20 5 CDBDHM CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048660187 357193674 /nfs/dbraw/zinc/19/36/74/357193674.db2.gz NFDKODWNHIVUIG-UHFFFAOYSA-N -1 3 276.289 1.812 20 5 CDBDHM COCCO[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000135138691 357689387 /nfs/dbraw/zinc/68/93/87/357689387.db2.gz UFOLDPVHAPNGOJ-QPJJXVBHSA-N -1 3 266.253 1.302 20 5 CDBDHM Cc1ncc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000337626328 358097250 /nfs/dbraw/zinc/09/72/50/358097250.db2.gz VHEKLUQSYSETLJ-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM Cc1[nH]nc(C(=O)Nc2ccc([O-])cc2F)c1[N+](=O)[O-] ZINC000436625165 358920171 /nfs/dbraw/zinc/92/01/71/358920171.db2.gz BYZCFLRBEIUMJE-UHFFFAOYSA-N -1 3 280.215 1.723 20 5 CDBDHM Cc1nc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n[nH]1 ZINC000518469436 363647038 /nfs/dbraw/zinc/64/70/38/363647038.db2.gz IJIMQSQCSJIISS-UHFFFAOYSA-N -1 3 291.223 1.002 20 5 CDBDHM CCc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC(C)(C)O ZINC000289712991 360316548 /nfs/dbraw/zinc/31/65/48/360316548.db2.gz HUWFNQZRIQTNDK-UHFFFAOYSA-N -1 3 297.311 1.981 20 5 CDBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)(C)O ZINC000289712991 360316552 /nfs/dbraw/zinc/31/65/52/360316552.db2.gz HUWFNQZRIQTNDK-UHFFFAOYSA-N -1 3 297.311 1.981 20 5 CDBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000178975058 189158849 /nfs/dbraw/zinc/15/88/49/189158849.db2.gz ZQEIZYDULCHNKU-UHFFFAOYSA-N -1 3 288.300 1.955 20 5 CDBDHM Cc1n[nH]c(C(=O)[N-]OC2CCCC2)c1[N+](=O)[O-] ZINC000272124061 367127771 /nfs/dbraw/zinc/12/77/71/367127771.db2.gz QSFJSAVURQIDIY-UHFFFAOYSA-N -1 3 254.246 1.230 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1[N+](=O)[O-] ZINC000298700406 373796496 /nfs/dbraw/zinc/79/64/96/373796496.db2.gz 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ZINC000595279965 392553587 /nfs/dbraw/zinc/55/35/87/392553587.db2.gz MMBJQZAQBVAAIO-OLZOCXBDSA-N -1 3 294.307 1.659 20 5 CDBDHM Cc1cnc(Sc2nnc(CO)[n-]2)c([N+](=O)[O-])c1 ZINC000530478117 393052241 /nfs/dbraw/zinc/05/22/41/393052241.db2.gz NZAQPYLXNVKAGO-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1cnc(Sc2nc(CO)n[n-]2)c([N+](=O)[O-])c1 ZINC000530478117 393052246 /nfs/dbraw/zinc/05/22/46/393052246.db2.gz NZAQPYLXNVKAGO-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM Cc1cnc(Sc2n[n-]c(CO)n2)c([N+](=O)[O-])c1 ZINC000530478117 393052250 /nfs/dbraw/zinc/05/22/50/393052250.db2.gz NZAQPYLXNVKAGO-UHFFFAOYSA-N -1 3 267.270 1.060 20 5 CDBDHM O=C([N-]c1nncs1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352225191 155039057 /nfs/dbraw/zinc/03/90/57/155039057.db2.gz JMHJTTNXDLHVQD-UHFFFAOYSA-N -1 3 294.248 1.427 20 5 CDBDHM COc1ncccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361917070 159017256 /nfs/dbraw/zinc/01/72/56/159017256.db2.gz WKJDTCYZMMJNQU-UHFFFAOYSA-N -1 3 290.235 1.351 20 5 CDBDHM 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626033221 /nfs/dbraw/zinc/03/32/21/626033221.db2.gz BKDFRRVHAIOMJX-VIFPVBQESA-N -1 3 279.296 1.817 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1C[C@@H]2C[C@@H]2C1 ZINC001593469585 1174078453 /nfs/dbraw/zinc/07/84/53/1174078453.db2.gz XAQBAKXXWVCRAM-KNVOCYPGSA-N -1 3 290.258 1.370 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1C[C@@H]2C[C@@H]2C1 ZINC001593469585 1174078462 /nfs/dbraw/zinc/07/84/62/1174078462.db2.gz XAQBAKXXWVCRAM-KNVOCYPGSA-N -1 3 290.258 1.370 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CC[C@H]2C[C@H]21 ZINC001593479915 1174082187 /nfs/dbraw/zinc/08/21/87/1174082187.db2.gz CKLPXSQVPBJQOS-OIBJUYFYSA-N -1 3 272.268 1.374 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CC[C@H]2C[C@H]21 ZINC001593479915 1174082192 /nfs/dbraw/zinc/08/21/92/1174082192.db2.gz CKLPXSQVPBJQOS-OIBJUYFYSA-N -1 3 272.268 1.374 20 5 CDBDHM O=C([O-])[C@H]1[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001602204028 1175162448 /nfs/dbraw/zinc/16/24/48/1175162448.db2.gz 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HWZQHEDXGHHXGZ-UHFFFAOYSA-N -1 3 292.211 1.520 20 5 CDBDHM C[C@H]1COC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693552 942205848 /nfs/dbraw/zinc/20/58/48/942205848.db2.gz VUUYGRLTOAHPKY-XPUUQOCRSA-N -1 3 264.241 1.280 20 5 CDBDHM C[C@@H](CON)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743102 942216485 /nfs/dbraw/zinc/21/64/85/942216485.db2.gz JEKGCTIMADRCFW-LURJTMIESA-N -1 3 252.230 1.129 20 5 CDBDHM C[C@@H](CON)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743102 942216487 /nfs/dbraw/zinc/21/64/87/942216487.db2.gz JEKGCTIMADRCFW-LURJTMIESA-N -1 3 252.230 1.129 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC001228689693 942359495 /nfs/dbraw/zinc/35/94/95/942359495.db2.gz WOVIGDIQUMHVIW-SECBINFHSA-N -1 3 266.253 1.894 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CN3CCC2CC3)c1 ZINC001229395381 942463577 /nfs/dbraw/zinc/46/35/77/942463577.db2.gz HXEIYONFSNFXSE-CYBMUJFWSA-N -1 3 264.281 1.773 20 5 CDBDHM CC(COC(=O)[C@H](C(=O)[O-])C1CCCC1)[N+](=O)[O-] ZINC001589075739 955809068 /nfs/dbraw/zinc/80/90/68/955809068.db2.gz UCEHMLPNCPOSGN-APPZFPTMSA-N -1 3 259.258 1.086 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccs2)nc1 ZINC001308997319 956615379 /nfs/dbraw/zinc/61/53/79/956615379.db2.gz NUAHVHZUTXVKJZ-UHFFFAOYSA-N -1 3 299.333 1.530 20 5 CDBDHM COc1cc(CNC2(CC(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC001599416343 997518541 /nfs/dbraw/zinc/51/85/41/997518541.db2.gz UCAULKDBOZHSPU-UHFFFAOYSA-N -1 3 298.270 1.839 20 5 CDBDHM O=c1[n-]nc(C2CCN(c3cccnc3[N+](=O)[O-])CC2)o1 ZINC000589600106 342509847 /nfs/dbraw/zinc/50/98/47/342509847.db2.gz HPSRFDBBDBFCER-UHFFFAOYSA-N -1 3 291.267 1.462 20 5 CDBDHM O=C([O-])[C@]12COC[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595885117 343180502 /nfs/dbraw/zinc/18/05/02/343180502.db2.gz NKUDLGBZEHQXBX-BXUZGUMPSA-N -1 3 292.291 1.128 20 5 CDBDHM Cc1nn(C)c(C)c1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596107011 343229192 /nfs/dbraw/zinc/22/91/92/343229192.db2.gz TXUVQSKRUJLZEY-UHFFFAOYSA-N -1 3 277.284 1.658 20 5 CDBDHM 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UIJNJCCKPXOUJK-UHFFFAOYSA-N -1 3 281.312 1.370 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]O[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000171806757 188760430 /nfs/dbraw/zinc/76/04/30/188760430.db2.gz IDOIQRLXVPGNEO-QMMMGPOBSA-N -1 3 284.272 1.068 20 5 CDBDHM CCC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186187291 357620815 /nfs/dbraw/zinc/62/08/15/357620815.db2.gz OUURKGIQBQIQTQ-UHFFFAOYSA-N -1 3 292.288 1.431 20 5 CDBDHM COCCCO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000287786348 359121757 /nfs/dbraw/zinc/12/17/57/359121757.db2.gz KWDRLPNKTZSTDX-BQYQJAHWSA-N -1 3 280.280 1.692 20 5 CDBDHM CC(C)(C)[C@@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339081576 359286008 /nfs/dbraw/zinc/28/60/08/359286008.db2.gz MYKJTAZTBFGHIP-GFCCVEGCSA-N -1 3 268.313 1.797 20 5 CDBDHM Cc1cc(N2CCN(C)C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000580556104 363922561 /nfs/dbraw/zinc/92/25/61/363922561.db2.gz CZYUJLWVMWKBAK-LLVKDONJSA-N -1 3 293.323 1.356 20 5 CDBDHM CO[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000264164575 364127466 /nfs/dbraw/zinc/12/74/66/364127466.db2.gz OJFMTQGREUNKML-UHFFFAOYSA-N -1 3 272.282 1.617 20 5 CDBDHM CCO[N-]C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000280622594 375008969 /nfs/dbraw/zinc/00/89/69/375008969.db2.gz ZZOGCFDTROIXMF-UHFFFAOYSA-N -1 3 284.268 1.683 20 5 CDBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccoc1 ZINC000351676083 375320144 /nfs/dbraw/zinc/32/01/44/375320144.db2.gz YLNDEVCSUOFJOZ-UHFFFAOYSA-N -1 3 282.277 1.666 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC=CC2)c(F)c1 ZINC000132197869 375412513 /nfs/dbraw/zinc/41/25/13/375412513.db2.gz DBXUCVCQJQXYAF-UHFFFAOYSA-N -1 3 286.284 1.731 20 5 CDBDHM O=[N+]([O-])c1ccc(=NCc2cn3ccsc3n2)[n-]c1 ZINC000352981746 375560379 /nfs/dbraw/zinc/56/03/79/375560379.db2.gz ABDFYHYSBOANRN-UHFFFAOYSA-N -1 3 275.293 1.733 20 5 CDBDHM CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000356289531 375831829 /nfs/dbraw/zinc/83/18/29/375831829.db2.gz LPTPQQJNDRUJDF-UHFFFAOYSA-N -1 3 293.323 1.467 20 5 CDBDHM Cn1cnnc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000163036121 391901199 /nfs/dbraw/zinc/90/11/99/391901199.db2.gz IAMRAZBULZWATP-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(C)n1 ZINC000103254388 147168080 /nfs/dbraw/zinc/16/80/80/147168080.db2.gz MGXAMPDWIIPAKF-UHFFFAOYSA-N -1 3 277.240 1.282 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C)n2)c1 ZINC000103257708 286381744 /nfs/dbraw/zinc/38/17/44/286381744.db2.gz FTBUVVNTUIDCEW-UHFFFAOYSA-N -1 3 277.240 1.282 20 5 CDBDHM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](C)CN1 ZINC000237482806 296921341 /nfs/dbraw/zinc/92/13/41/296921341.db2.gz HPSUGGVFNPZNHF-BDAKNGLRSA-N -1 3 279.296 1.123 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000129853763 279618524 /nfs/dbraw/zinc/61/85/24/279618524.db2.gz NQFNGVOMTSYWDG-UHFFFAOYSA-N -1 3 276.252 1.595 20 5 CDBDHM CC(=O)Nc1cccnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000562903426 293215117 /nfs/dbraw/zinc/21/51/17/293215117.db2.gz IPULVBNEBSIKGL-UHFFFAOYSA-N -1 3 290.235 1.794 20 5 CDBDHM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000286033370 300193376 /nfs/dbraw/zinc/19/33/76/300193376.db2.gz KKCCEZJKZNHDDL-IUCAKERBSA-N -1 3 279.296 1.123 20 5 CDBDHM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)C(=O)[O-] ZINC000567116806 316741441 /nfs/dbraw/zinc/74/14/41/316741441.db2.gz NBESPXMDUYTKKR-JGVFFNPUSA-N -1 3 292.295 1.670 20 5 CDBDHM COc1cc(CN2CC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000579132747 324116516 /nfs/dbraw/zinc/11/65/16/324116516.db2.gz KTLRJOJREYJYAD-JTQLQIEISA-N -1 3 280.280 1.510 20 5 CDBDHM Cc1cc(N(C)CCN(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579479293 324198846 /nfs/dbraw/zinc/19/88/46/324198846.db2.gz TZVCJAUDPGSYOG-UHFFFAOYSA-N -1 3 281.312 1.599 20 5 CDBDHM C[C@H](NC(=O)c1c[n-]nn1)c1cccc([N+](=O)[O-])c1 ZINC000049217476 525263975 /nfs/dbraw/zinc/26/39/75/525263975.db2.gz MRDIDIKXWXPZGS-ZETCQYMHSA-N -1 3 261.241 1.204 20 5 CDBDHM C[C@H](NC(=O)c1cnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000049217476 525263981 /nfs/dbraw/zinc/26/39/81/525263981.db2.gz MRDIDIKXWXPZGS-ZETCQYMHSA-N -1 3 261.241 1.204 20 5 CDBDHM C[C@H](NC(=O)c1cn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000049217476 525263991 /nfs/dbraw/zinc/26/39/91/525263991.db2.gz MRDIDIKXWXPZGS-ZETCQYMHSA-N -1 3 261.241 1.204 20 5 CDBDHM O=[N+]([O-])c1cccc(CCN=c2ncnc3[nH][n-]cc2-3)c1 ZINC000340081043 527384732 /nfs/dbraw/zinc/38/47/32/527384732.db2.gz ZDVWNTIHMLTGTP-UHFFFAOYSA-N -1 3 284.279 1.289 20 5 CDBDHM CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189787682 535497811 /nfs/dbraw/zinc/49/78/11/535497811.db2.gz HZGXEVLKIOOQFE-UHFFFAOYSA-N -1 3 258.299 1.510 20 5 CDBDHM COCCN(CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000737793992 574709174 /nfs/dbraw/zinc/70/91/74/574709174.db2.gz GXTGUUXFMLYKLS-UHFFFAOYSA-N -1 3 282.296 1.518 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000732216558 575084076 /nfs/dbraw/zinc/08/40/76/575084076.db2.gz YSTTXCKYVGBWDF-UHFFFAOYSA-N -1 3 297.292 1.702 20 5 CDBDHM Cc1n[nH]c(C(=O)[N-]Oc2ccccc2)c1[N+](=O)[O-] ZINC000773463573 575812929 /nfs/dbraw/zinc/81/29/29/575812929.db2.gz AMUUZMMDJAFLAO-UHFFFAOYSA-N -1 3 262.225 1.350 20 5 CDBDHM C[C@@H](O)[C@@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820467557 599100056 /nfs/dbraw/zinc/10/00/56/599100056.db2.gz JOZKNNORWKYFKV-PHDIDXHHSA-N -1 3 296.312 1.031 20 5 CDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H]1C ZINC000820777456 606418544 /nfs/dbraw/zinc/41/85/44/606418544.db2.gz RHENWBZICYCHHL-YUMQZZPRSA-N -1 3 289.299 1.262 20 5 CDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H]1C ZINC000820777456 606418546 /nfs/dbraw/zinc/41/85/46/606418546.db2.gz RHENWBZICYCHHL-YUMQZZPRSA-N -1 3 289.299 1.262 20 5 CDBDHM COc1c([O-])ccc(CN2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000891696766 617543037 /nfs/dbraw/zinc/54/30/37/617543037.db2.gz WMHFZJJBCCZAEV-SECBINFHSA-N -1 3 282.296 1.530 20 5 CDBDHM CC(C)CN(CCC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC000903596216 626035585 /nfs/dbraw/zinc/03/55/85/626035585.db2.gz OIIRIBZBHDYKGX-UHFFFAOYSA-N -1 3 281.312 1.923 20 5 CDBDHM C[C@@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1 ZINC000910456348 629076987 /nfs/dbraw/zinc/07/69/87/629076987.db2.gz NLAZAPPUNLRMSN-LLVKDONJSA-N -1 3 293.323 1.580 20 5 CDBDHM C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC001604757447 1163311633 /nfs/dbraw/zinc/31/16/33/1163311633.db2.gz QHAXXYFBXMUBBN-WCBMZHEXSA-N -1 3 282.300 1.013 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cc[nH]n1 ZINC001607081218 1164071442 /nfs/dbraw/zinc/07/14/42/1164071442.db2.gz BWZNFUSBDNREIB-UHFFFAOYSA-N -1 3 286.255 1.110 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cc[nH]n1 ZINC001607081218 1164071447 /nfs/dbraw/zinc/07/14/47/1164071447.db2.gz BWZNFUSBDNREIB-UHFFFAOYSA-N -1 3 286.255 1.110 20 5 CDBDHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CO1 ZINC001590207413 1173291352 /nfs/dbraw/zinc/29/13/52/1173291352.db2.gz RWHMLGAAVLXCOE-CBAPKCEASA-N -1 3 290.283 1.364 20 5 CDBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H](C)O ZINC001590473503 1173424908 /nfs/dbraw/zinc/42/49/08/1173424908.db2.gz OOVYLXVKAZVXGK-VXNVDRBHSA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H](C)O ZINC001590473503 1173424912 /nfs/dbraw/zinc/42/49/12/1173424912.db2.gz OOVYLXVKAZVXGK-VXNVDRBHSA-N -1 3 292.299 1.346 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]2C[C@@H]21 ZINC001593482284 1174085064 /nfs/dbraw/zinc/08/50/64/1174085064.db2.gz XPNHQYBJYPYNQB-KCJUWKMLSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]2C[C@@H]21 ZINC001593482284 1174085072 /nfs/dbraw/zinc/08/50/72/1174085072.db2.gz XPNHQYBJYPYNQB-KCJUWKMLSA-N -1 3 286.295 1.764 20 5 CDBDHM O=c1[n-]ccc(N2CC(CC3CCOCC3)C2)c1[N+](=O)[O-] ZINC000882885951 758993066 /nfs/dbraw/zinc/99/30/66/758993066.db2.gz VYNVATRYNHNNMV-UHFFFAOYSA-N -1 3 293.323 1.948 20 5 CDBDHM CO[N-]C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790525686 772458510 /nfs/dbraw/zinc/45/85/10/772458510.db2.gz RVNOYSODLLUBGO-UHFFFAOYSA-N -1 3 262.624 1.607 20 5 CDBDHM COc1ccc(CC(=O)[N-]OCC2CC2)cc1[N+](=O)[O-] ZINC000817368557 772532547 /nfs/dbraw/zinc/53/25/47/772532547.db2.gz VWODSWCSGSAVPU-UHFFFAOYSA-N -1 3 280.280 1.604 20 5 CDBDHM O=C([N-]OC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000867711479 773068723 /nfs/dbraw/zinc/06/87/23/773068723.db2.gz MASNMLPBGPUKKS-QMMMGPOBSA-N -1 3 284.243 1.432 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001164371977 939466579 /nfs/dbraw/zinc/46/65/79/939466579.db2.gz IRYPPDUOFPYWJK-SSDOTTSWSA-N -1 3 297.702 1.567 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc(=O)[n-]n1 ZINC001227093104 942129875 /nfs/dbraw/zinc/12/98/75/942129875.db2.gz GIUDFQWCNDJASV-ZETCQYMHSA-N -1 3 279.256 1.063 20 5 CDBDHM CCOC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692109 942204707 /nfs/dbraw/zinc/20/47/07/942204707.db2.gz UHGGGQSBDAAZPJ-SSDOTTSWSA-N -1 3 266.257 1.670 20 5 CDBDHM CC[C@H]1OC(=O)C(Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])=C1C ZINC001228687534 942357536 /nfs/dbraw/zinc/35/75/36/942357536.db2.gz YHJLAJKGWCANMQ-MRVPVSSYSA-N -1 3 294.263 1.992 20 5 CDBDHM CCN1CCC[C@@H](Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])C1 ZINC001231264202 942839636 /nfs/dbraw/zinc/83/96/36/942839636.db2.gz OTYYUGCADNVRQW-SNVBAGLBSA-N -1 3 281.312 1.867 20 5 CDBDHM Cc1nc([N-]c2cnn(CCN(C)C)c2)ncc1[N+](=O)[O-] ZINC001329631777 956037383 /nfs/dbraw/zinc/03/73/83/956037383.db2.gz XBADGOZFCOZRBW-UHFFFAOYSA-N -1 3 291.315 1.195 20 5 CDBDHM COc1cc(CN[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC001604709154 973908816 /nfs/dbraw/zinc/90/88/16/973908816.db2.gz BRYHZXIZSJGIEO-QMMMGPOBSA-N -1 3 298.295 1.565 20 5 CDBDHM CN1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001598623117 994041872 /nfs/dbraw/zinc/04/18/72/994041872.db2.gz XASOWVUZUNLEAV-VIFPVBQESA-N -1 3 297.286 1.187 20 5 CDBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)C)cc1C ZINC000070264384 361874213 /nfs/dbraw/zinc/87/42/13/361874213.db2.gz RRNQXFGSOHLSFG-UHFFFAOYSA-N -1 3 272.326 1.898 20 5 CDBDHM CO[C@@]1(C(=O)[O-])CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000600674007 342241276 /nfs/dbraw/zinc/24/12/76/342241276.db2.gz COUWBNACHNCVMD-YGRLFVJLSA-N -1 3 294.307 1.831 20 5 CDBDHM CC(C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594744726 342953068 /nfs/dbraw/zinc/95/30/68/342953068.db2.gz NELSQWWFQOQDBA-UHFFFAOYSA-N -1 3 295.320 1.830 20 5 CDBDHM Cn1cc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596081822 343219915 /nfs/dbraw/zinc/21/99/15/343219915.db2.gz ADJKKDLQWBCPTM-UHFFFAOYSA-N -1 3 263.257 1.084 20 5 CDBDHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])[C@@H](C)N1CCOCC1 ZINC000596116161 343231952 /nfs/dbraw/zinc/23/19/52/343231952.db2.gz ZALWARPBSCTKLB-NXEZZACHSA-N -1 3 296.327 1.217 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000596157307 343254679 /nfs/dbraw/zinc/25/46/79/343254679.db2.gz SOAJLZPFJLRGLJ-LBPRGKRZSA-N -1 3 265.269 1.312 20 5 CDBDHM NC(=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596128267 343237715 /nfs/dbraw/zinc/23/77/15/343237715.db2.gz GMYSASFYUNFSOK-UHFFFAOYSA-N -1 3 280.284 1.153 20 5 CDBDHM CN(C[C@H]1CCCC[C@H]1O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596188293 343252395 /nfs/dbraw/zinc/25/23/95/343252395.db2.gz VNTIOFPTSQECNT-MWLCHTKSSA-N -1 3 281.312 1.683 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](n3ccnn3)C2)c1[N+](=O)[O-] ZINC000596280437 343286961 /nfs/dbraw/zinc/28/69/61/343286961.db2.gz FEGAGWHMGZBEOC-SECBINFHSA-N -1 3 290.283 1.128 20 5 CDBDHM CC(C)(O)CCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596290730 343289406 /nfs/dbraw/zinc/28/94/06/343289406.db2.gz DAIRLIKWPGGCGV-UHFFFAOYSA-N -1 3 258.299 1.949 20 5 CDBDHM CN(CC1=CCCOC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596463872 343318145 /nfs/dbraw/zinc/31/81/45/343318145.db2.gz AJYNLJFWCREVLY-UHFFFAOYSA-N -1 3 265.269 1.478 20 5 CDBDHM C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCN1C ZINC000436831598 362243535 /nfs/dbraw/zinc/24/35/35/362243535.db2.gz XRDLHLSLOQVKSK-KOLCDFICSA-N -1 3 293.323 1.513 20 5 CDBDHM CCn1ncc(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598199541 343740191 /nfs/dbraw/zinc/74/01/91/343740191.db2.gz JFPWUNOQEMDTMD-UHFFFAOYSA-N -1 3 291.267 1.473 20 5 CDBDHM O=C([O-])[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000003748140 362256170 /nfs/dbraw/zinc/25/61/70/362256170.db2.gz FNSIIBACBHYGTC-NSHDSACASA-N -1 3 250.254 1.644 20 5 CDBDHM Cn1c(C(=O)NCc2ccc([O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000610011715 346057363 /nfs/dbraw/zinc/05/73/63/346057363.db2.gz OCSNTCLXVMOAAH-UHFFFAOYSA-N -1 3 293.254 1.708 20 5 CDBDHM COCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048660295 357193741 /nfs/dbraw/zinc/19/37/41/357193741.db2.gz GRCWQZXWTGTHKR-UHFFFAOYSA-N -1 3 292.288 1.049 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncn2C)c1 ZINC000283355550 357553714 /nfs/dbraw/zinc/55/37/14/357553714.db2.gz ZLPVCROWOIVPRP-UHFFFAOYSA-N -1 3 291.267 1.374 20 5 CDBDHM COc1ccc(CN2CC[C@@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000062936269 358730024 /nfs/dbraw/zinc/73/00/24/358730024.db2.gz AIZBPKKETXCAGL-CQSZACIVSA-N -1 3 294.307 1.900 20 5 CDBDHM COCCCO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000287783830 359121383 /nfs/dbraw/zinc/12/13/83/359121383.db2.gz KQDMVQWXEQMPGF-UHFFFAOYSA-N -1 3 268.269 1.222 20 5 CDBDHM C[C@@H](O)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000228068605 359959776 /nfs/dbraw/zinc/95/97/76/359959776.db2.gz LSDHWPDBKLXHOB-SECBINFHSA-N -1 3 288.325 1.034 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]OCc2cccnc2)c1[N+](=O)[O-] ZINC000269578326 370853465 /nfs/dbraw/zinc/85/34/65/370853465.db2.gz DODMPOJLSCCYSH-UHFFFAOYSA-N -1 3 291.267 1.137 20 5 CDBDHM COc1cnc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)nc1 ZINC000352101884 369502509 /nfs/dbraw/zinc/50/25/09/369502509.db2.gz GHNFTPHORMIPLU-UHFFFAOYSA-N -1 3 292.226 1.785 20 5 CDBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]OC(C)C)c1 ZINC000295725632 370599539 /nfs/dbraw/zinc/59/95/39/370599539.db2.gz QXMDJTFMINNPLG-UHFFFAOYSA-N -1 3 254.242 1.673 20 5 CDBDHM CCc1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000121922284 377828553 /nfs/dbraw/zinc/82/85/53/377828553.db2.gz ABOMDPQZGRLXNU-UHFFFAOYSA-N -1 3 267.270 1.589 20 5 CDBDHM CC(C)(CF)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443048409 250002802 /nfs/dbraw/zinc/00/28/02/250002802.db2.gz NICHCVULDKDPTR-UHFFFAOYSA-N -1 3 276.289 1.621 20 5 CDBDHM CN(CCOc1cccc([N+](=O)[O-])c1)CCC(=O)[O-] ZINC000262614767 131241579 /nfs/dbraw/zinc/24/15/79/131241579.db2.gz CKTDPKIZJSUQJO-UHFFFAOYSA-N -1 3 268.269 1.380 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1NCc1cnc(C)[n-]c1=O ZINC000343595660 152237564 /nfs/dbraw/zinc/23/75/64/152237564.db2.gz LXGVVOWSPSDSQN-UHFFFAOYSA-N -1 3 275.268 1.136 20 5 CDBDHM Cn1cnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000349438336 154114040 /nfs/dbraw/zinc/11/40/40/154114040.db2.gz VOKIBIBIDKVSOL-UHFFFAOYSA-N -1 3 265.204 1.115 20 5 CDBDHM CC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590384260 1173382830 /nfs/dbraw/zinc/38/28/30/1173382830.db2.gz LMTWLRKDQHUOLI-LBPRGKRZSA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590384260 1173382837 /nfs/dbraw/zinc/38/28/37/1173382837.db2.gz LMTWLRKDQHUOLI-LBPRGKRZSA-N -1 3 292.299 1.348 20 5 CDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncnn2C)c1 ZINC000150914115 526081546 /nfs/dbraw/zinc/08/15/46/526081546.db2.gz VLJCFYHKPGTWGU-UHFFFAOYSA-N -1 3 293.308 1.698 20 5 CDBDHM COc1cc(C(=O)[N-]c2nonc2C)cc([N+](=O)[O-])c1C ZINC000191891007 536540738 /nfs/dbraw/zinc/54/07/38/536540738.db2.gz DZVYGLGFKHNAFG-UHFFFAOYSA-N -1 3 292.251 1.856 20 5 CDBDHM CCc1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000187200506 536169668 /nfs/dbraw/zinc/16/96/68/536169668.db2.gz KDLJECAEEJSFLZ-UHFFFAOYSA-N -1 3 289.251 1.300 20 5 CDBDHM Cc1ccc(C(=O)[N-]N2CCCC2=O)cc1[N+](=O)[O-] ZINC000770547461 575464673 /nfs/dbraw/zinc/46/46/73/575464673.db2.gz TXSMUKYUCNOBOP-UHFFFAOYSA-N -1 3 263.253 1.170 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1C[C@@H]2CCC[C@@H]21 ZINC000738357126 576062349 /nfs/dbraw/zinc/06/23/49/576062349.db2.gz CARKKBRFMPXVIC-UWVGGRQHSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1C[C@@H]2CCC[C@@H]21 ZINC000738357126 576062350 /nfs/dbraw/zinc/06/23/50/576062350.db2.gz CARKKBRFMPXVIC-UWVGGRQHSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cocn1 ZINC000738360518 576062450 /nfs/dbraw/zinc/06/24/50/576062450.db2.gz XRPSYGSSKKWSEP-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cocn1 ZINC000738360518 576062451 /nfs/dbraw/zinc/06/24/51/576062451.db2.gz XRPSYGSSKKWSEP-UHFFFAOYSA-N -1 3 287.239 1.375 20 5 CDBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760404288 576482570 /nfs/dbraw/zinc/48/25/70/576482570.db2.gz LZOOUYZIYINUSW-VIFPVBQESA-N -1 3 295.320 1.962 20 5 CDBDHM CCOCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604432259 1163185660 /nfs/dbraw/zinc/18/56/60/1163185660.db2.gz FBOXPMMVILVSTG-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM CCOCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604432259 1163185663 /nfs/dbraw/zinc/18/56/63/1163185663.db2.gz FBOXPMMVILVSTG-UHFFFAOYSA-N -1 3 278.272 1.223 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1COc1cncnc1 ZINC001582803495 1172691782 /nfs/dbraw/zinc/69/17/82/1172691782.db2.gz JQYOFFKACYHSET-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1COc1cncnc1 ZINC001582803495 1172691784 /nfs/dbraw/zinc/69/17/84/1172691784.db2.gz JQYOFFKACYHSET-UHFFFAOYSA-N -1 3 299.250 1.144 20 5 CDBDHM CC(C)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589678726 1173167329 /nfs/dbraw/zinc/16/73/29/1173167329.db2.gz RMRCOAXTSVWEOT-UHFFFAOYSA-N -1 3 262.273 1.620 20 5 CDBDHM CCON(CC)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590819261 1173522470 /nfs/dbraw/zinc/52/24/70/1173522470.db2.gz OXIKKXFBRHEMQB-UHFFFAOYSA-N -1 3 292.299 1.548 20 5 CDBDHM CCON(CC)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590819261 1173522477 /nfs/dbraw/zinc/52/24/77/1173522477.db2.gz OXIKKXFBRHEMQB-UHFFFAOYSA-N -1 3 292.299 1.548 20 5 CDBDHM Cc1cccc(Oc2cc(-c3nnn[n-]3)cnn2)c1[N+](=O)[O-] ZINC001592238779 1173835425 /nfs/dbraw/zinc/83/54/25/1173835425.db2.gz IRDMKIOXFORQNJ-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1cccc(Oc2cc(-c3nn[n-]n3)cnn2)c1[N+](=O)[O-] ZINC001592238779 1173835427 /nfs/dbraw/zinc/83/54/27/1173835427.db2.gz IRDMKIOXFORQNJ-UHFFFAOYSA-N -1 3 299.250 1.666 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CCc1ccc(-c2nnn[n-]2)cc1 ZINC001592412523 1173884943 /nfs/dbraw/zinc/88/49/43/1173884943.db2.gz HQARYTVSJJJNTK-UHFFFAOYSA-N -1 3 299.294 1.523 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1CCc1ccc(-c2nn[n-]n2)cc1 ZINC001592412523 1173884950 /nfs/dbraw/zinc/88/49/50/1173884950.db2.gz HQARYTVSJJJNTK-UHFFFAOYSA-N -1 3 299.294 1.523 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC1CCCCC1 ZINC001593470608 1174078200 /nfs/dbraw/zinc/07/82/00/1174078200.db2.gz JACNXXBNKUAESJ-UHFFFAOYSA-N -1 3 289.299 1.915 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC1CCCCC1 ZINC001593470608 1174078207 /nfs/dbraw/zinc/07/82/07/1174078207.db2.gz JACNXXBNKUAESJ-UHFFFAOYSA-N -1 3 289.299 1.915 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC1CCOCC1 ZINC001593476520 1174081754 /nfs/dbraw/zinc/08/17/54/1174081754.db2.gz YFKPSKJMOIMENN-UHFFFAOYSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC1CCOCC1 ZINC001593476520 1174081760 /nfs/dbraw/zinc/08/17/60/1174081760.db2.gz YFKPSKJMOIMENN-UHFFFAOYSA-N -1 3 290.283 1.366 20 5 CDBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000931314116 774589598 /nfs/dbraw/zinc/58/95/98/774589598.db2.gz VIRMIMBVEJMWSA-UHFFFAOYSA-N -1 3 286.291 1.915 20 5 CDBDHM O=C([N-]OCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000714069898 777471209 /nfs/dbraw/zinc/47/12/09/777471209.db2.gz LMZQBAJZBXXRPU-UHFFFAOYSA-N -1 3 254.217 1.805 20 5 CDBDHM CCC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001068438600 779597600 /nfs/dbraw/zinc/59/76/00/779597600.db2.gz CAMVQFJNJRKOGM-KYZUINATSA-N -1 3 294.311 1.412 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCOC[C@@H]1F ZINC001225664138 903630443 /nfs/dbraw/zinc/63/04/43/903630443.db2.gz KDXFTIHZNJASLM-XPUUQOCRSA-N -1 3 258.205 1.201 20 5 CDBDHM Cc1c[n+]([O-])c(NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC001169727376 928356218 /nfs/dbraw/zinc/35/62/18/928356218.db2.gz ZGBTZWOMWMSPIF-UHFFFAOYSA-N -1 3 276.252 1.249 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ncccc2[O-])c(F)c1 ZINC001158774543 938663040 /nfs/dbraw/zinc/66/30/40/938663040.db2.gz MYQITVHBSSBNOC-UHFFFAOYSA-N -1 3 264.216 1.842 20 5 CDBDHM Cc1ncc(Nc2nc(Cl)cc(C)c2[N+](=O)[O-])c(=O)[n-]1 ZINC001162297344 938973164 /nfs/dbraw/zinc/97/31/64/938973164.db2.gz BFMLWIHILMDMMF-ZETCQYMHSA-N -1 3 295.686 1.762 20 5 CDBDHM Cc1ncc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001162300721 938974822 /nfs/dbraw/zinc/97/48/22/938974822.db2.gz LBXDMCPUKMKMDD-NSHDSACASA-N -1 3 298.262 1.348 20 5 CDBDHM O=c1[n-]cncc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216482933 940941637 /nfs/dbraw/zinc/94/16/37/940941637.db2.gz VKFQUZMPMFCIEJ-UHFFFAOYSA-N -1 3 250.189 1.973 20 5 CDBDHM O=C1OC[C@H](COc2nc3ccc([N+](=O)[O-])cc3[n-]2)O1 ZINC001227744018 942216299 /nfs/dbraw/zinc/21/62/99/942216299.db2.gz CRUYIWLUHHJMJD-ZETCQYMHSA-N -1 3 279.208 1.385 20 5 CDBDHM O=C1OC[C@H](COc2nc3cc([N+](=O)[O-])ccc3[n-]2)O1 ZINC001227744018 942216302 /nfs/dbraw/zinc/21/63/02/942216302.db2.gz CRUYIWLUHHJMJD-ZETCQYMHSA-N -1 3 279.208 1.385 20 5 CDBDHM O=[N+]([O-])C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001227745453 942217532 /nfs/dbraw/zinc/21/75/32/942217532.db2.gz NHKWLTHCVMMLHN-NSHDSACASA-N -1 3 292.251 1.905 20 5 CDBDHM Cc1[n-]c(=O)cc(OC2CCOCC2)c1[N+](=O)[O-] ZINC001228684967 942356623 /nfs/dbraw/zinc/35/66/23/942356623.db2.gz UXUHJPBKWCTYJK-UHFFFAOYSA-N -1 3 254.242 1.562 20 5 CDBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCN(C)C2)cc1[O-] ZINC001228812757 942380797 /nfs/dbraw/zinc/38/07/97/942380797.db2.gz XWNSQBOSNBXXIV-QMMMGPOBSA-N -1 3 296.279 1.170 20 5 CDBDHM COc1c([O-])ccc(CN(C)Cc2ccon2)c1[N+](=O)[O-] ZINC001308588138 956552375 /nfs/dbraw/zinc/55/23/75/956552375.db2.gz HCUIDQJTCIFNEH-UHFFFAOYSA-N -1 3 293.279 1.929 20 5 CDBDHM C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC001334824226 959391460 /nfs/dbraw/zinc/39/14/60/959391460.db2.gz UWNRBJMMUGIASW-NOZJJQNGSA-N -1 3 279.296 1.532 20 5 CDBDHM C[C@@H]1[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000719471418 978005314 /nfs/dbraw/zinc/00/53/14/978005314.db2.gz KOPTVEQSMWHZJW-SFYZADRCSA-N -1 3 280.284 1.193 20 5 CDBDHM COc1ccc(CNC2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000203662190 342494125 /nfs/dbraw/zinc/49/41/25/342494125.db2.gz LWKFNXHVSUIRJG-UHFFFAOYSA-N -1 3 266.253 1.310 20 5 CDBDHM CN(CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000162419420 342073245 /nfs/dbraw/zinc/07/32/45/342073245.db2.gz IYLHDHJNBHIANP-UHFFFAOYSA-N -1 3 280.284 1.194 20 5 CDBDHM CN1CCN(c2ccc([N+](=O)[O-])s2)C[C@H](C(=O)[O-])C1 ZINC000592981426 342754846 /nfs/dbraw/zinc/75/48/46/342754846.db2.gz ZVPNIUJGIIHAEJ-MRVPVSSYSA-N -1 3 285.325 1.109 20 5 CDBDHM C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCN1C ZINC000436918726 362123014 /nfs/dbraw/zinc/12/30/14/362123014.db2.gz JSTLVZCHRLITNW-CABZTGNLSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@H](CC[S@@](C)=O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596139462 343241415 /nfs/dbraw/zinc/24/14/15/343241415.db2.gz AZSZMRPHPZMZSZ-LWESTGQBSA-N -1 3 273.314 1.264 20 5 CDBDHM CCOC(=O)[C@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596152091 343246430 /nfs/dbraw/zinc/24/64/30/343246430.db2.gz HDVDSPQMYAEYJW-SSDOTTSWSA-N -1 3 269.257 1.307 20 5 CDBDHM Cc1cnn([C@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596236742 343282811 /nfs/dbraw/zinc/28/28/11/343282811.db2.gz PZUGFALNXYMHLT-JTQLQIEISA-N -1 3 289.295 1.652 20 5 CDBDHM CCC[C@H](C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596239850 343284238 /nfs/dbraw/zinc/28/42/38/343284238.db2.gz LSTLOKKYCPIJDB-VIFPVBQESA-N -1 3 296.327 1.660 20 5 CDBDHM COC(=O)[C@@]1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596161609 343256220 /nfs/dbraw/zinc/25/62/20/343256220.db2.gz XECOMKIPZLYZIF-LBPRGKRZSA-N -1 3 281.268 1.085 20 5 CDBDHM CC[C@@]1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596204464 343264849 /nfs/dbraw/zinc/26/48/49/343264849.db2.gz WNEWGVHGDRGBBH-LBPRGKRZSA-N -1 3 267.285 1.701 20 5 CDBDHM CC(C)(O)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596262460 343278687 /nfs/dbraw/zinc/27/86/87/343278687.db2.gz WBLGHHCPNIWYKH-UHFFFAOYSA-N -1 3 269.301 1.904 20 5 CDBDHM CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000273203290 192074270 /nfs/dbraw/zinc/07/42/70/192074270.db2.gz KHVIUORIKNHQKS-UHFFFAOYSA-N -1 3 293.323 1.468 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000436525485 358759715 /nfs/dbraw/zinc/75/97/15/358759715.db2.gz GGXFBDBKBFHQDH-UHFFFAOYSA-N -1 3 280.215 1.425 20 5 CDBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000451686347 359071270 /nfs/dbraw/zinc/07/12/70/359071270.db2.gz FSUWCYYEAALNQP-ZETCQYMHSA-N -1 3 294.279 1.917 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000297264164 200129304 /nfs/dbraw/zinc/12/93/04/200129304.db2.gz RLLYNJIUGWYXOK-BQYQJAHWSA-N -1 3 280.280 1.427 20 5 CDBDHM O=C([O-])[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178904326 189153495 /nfs/dbraw/zinc/15/34/95/189153495.db2.gz IZVVYYPISPQNBB-SNVBAGLBSA-N -1 3 280.280 1.380 20 5 CDBDHM CN(C)c1n[nH]c([N-]C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000340976610 365330779 /nfs/dbraw/zinc/33/07/79/365330779.db2.gz IMYDIMKQAAOAFC-UHFFFAOYSA-N -1 3 282.285 1.093 20 5 CDBDHM CC(C)(CCC(=O)NCc1ccc([O-])c(F)c1)[N+](=O)[O-] ZINC000295766820 370625605 /nfs/dbraw/zinc/62/56/05/370625605.db2.gz IEQNARWHZQTJQD-UHFFFAOYSA-N -1 3 284.287 1.983 20 5 CDBDHM CCO[N-]C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000277173924 374776869 /nfs/dbraw/zinc/77/68/69/374776869.db2.gz JKLMJTWXBKAQOS-UHFFFAOYSA-N -1 3 297.267 1.763 20 5 CDBDHM CCCc1n[nH]c(C(=O)[N-]OCCSC)c1[N+](=O)[O-] ZINC000279954786 374975593 /nfs/dbraw/zinc/97/55/93/374975593.db2.gz 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CO[C@]1(C(=O)[O-])CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000600674006 342241283 /nfs/dbraw/zinc/24/12/83/342241283.db2.gz COUWBNACHNCVMD-QMTHXVAHSA-N -1 3 294.307 1.831 20 5 CDBDHM C[C@@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000166817494 362077990 /nfs/dbraw/zinc/07/79/90/362077990.db2.gz OMIIHPFQQNURKV-RKDXNWHRSA-N -1 3 294.311 1.583 20 5 CDBDHM O=C([O-])[C@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595886085 343180764 /nfs/dbraw/zinc/18/07/64/343180764.db2.gz UZVHNRFGAURGIC-BXUZGUMPSA-N -1 3 292.291 1.128 20 5 CDBDHM CCN(CCSC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596288628 343288957 /nfs/dbraw/zinc/28/89/57/343288957.db2.gz DLOXBNNNVILDMS-UHFFFAOYSA-N -1 3 257.315 1.885 20 5 CDBDHM CC1(C)[C@@H]2C(=O)[N-]N(c3ccc([N+](=O)[O-])cc3F)C(=O)[C@@H]21 ZINC000601941271 344287998 /nfs/dbraw/zinc/28/79/98/344287998.db2.gz WKQQGVHYKOKQIE-VHSXEESVSA-N -1 3 293.254 1.384 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000293656763 198720433 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O=C(Nc1ccc(F)cn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186968610 284311408 /nfs/dbraw/zinc/31/14/08/284311408.db2.gz MTYVEMMYIDMPRL-UHFFFAOYSA-N -1 3 278.199 1.482 20 5 CDBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]OCCCO ZINC000493462788 375455216 /nfs/dbraw/zinc/45/52/16/375455216.db2.gz WQHSQOZQNRUXRW-HWKANZROSA-N -1 3 284.243 1.177 20 5 CDBDHM CCc1[nH]nc(C(=O)[N-]c2ncc(C)s2)c1[N+](=O)[O-] ZINC000171398325 376571240 /nfs/dbraw/zinc/57/12/40/376571240.db2.gz MWVVHVNLSAAJSU-UHFFFAOYSA-N -1 3 281.297 1.898 20 5 CDBDHM COC(=O)c1[n-]cnc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000549696776 392605559 /nfs/dbraw/zinc/60/55/59/392605559.db2.gz RYMDOJRFENAKRI-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM COC(=O)c1nc[n-]c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000549696776 392605565 /nfs/dbraw/zinc/60/55/65/392605565.db2.gz RYMDOJRFENAKRI-UHFFFAOYSA-N -1 3 290.235 1.357 20 5 CDBDHM COCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189818692 140125617 /nfs/dbraw/zinc/12/56/17/140125617.db2.gz GYBWIISTEQSPNZ-UHFFFAOYSA-N -1 3 288.325 1.136 20 5 CDBDHM COCCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285456600 196289583 /nfs/dbraw/zinc/28/95/83/196289583.db2.gz ACFQYAVXUQUPQL-UHFFFAOYSA-N -1 3 269.257 1.684 20 5 CDBDHM CO[C@H](C)CN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001591323132 1173609270 /nfs/dbraw/zinc/60/92/70/1173609270.db2.gz OHLWHRNGBWGJPJ-MRVPVSSYSA-N -1 3 292.299 1.246 20 5 CDBDHM CO[C@H](C)CN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001591323132 1173609276 /nfs/dbraw/zinc/60/92/76/1173609276.db2.gz OHLWHRNGBWGJPJ-MRVPVSSYSA-N -1 3 292.299 1.246 20 5 CDBDHM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N(C)C ZINC000389228877 323803025 /nfs/dbraw/zinc/80/30/25/323803025.db2.gz YUNJMTPMHYAKEF-ZETCQYMHSA-N -1 3 268.273 1.050 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN(C)C(C)(C)C(=O)[O-] ZINC000061172959 525459081 /nfs/dbraw/zinc/45/90/81/525459081.db2.gz PBJNXNSHKLZKFT-UHFFFAOYSA-N -1 3 282.296 1.898 20 5 CDBDHM CCc1[n-][nH]c(=NC(=O)c2nn(CC)cc2[N+](=O)[O-])c1C ZINC000427882977 535983792 /nfs/dbraw/zinc/98/37/92/535983792.db2.gz PLQLCDVBZUSUBS-UHFFFAOYSA-N -1 3 292.299 1.079 20 5 CDBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc([N+](=O)[O-])s1 ZINC000736737011 575731302 /nfs/dbraw/zinc/73/13/02/575731302.db2.gz YRKZMYCIENDWAN-UHFFFAOYSA-N -1 3 297.244 1.672 20 5 CDBDHM COc1ccc(CC(=O)[N-]OCC(F)F)cc1[N+](=O)[O-] ZINC000759352067 577173119 /nfs/dbraw/zinc/17/31/19/577173119.db2.gz SHUFOOCUEDOFGS-UHFFFAOYSA-N -1 3 290.222 1.459 20 5 CDBDHM O=[N+]([O-])c1cc(NCc2ccco2)ccc1-c1nnn[n-]1 ZINC000823634819 606644684 /nfs/dbraw/zinc/64/46/84/606644684.db2.gz MQYFQVVIWPSIEM-UHFFFAOYSA-N -1 3 286.251 1.980 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC000823647960 607040664 /nfs/dbraw/zinc/04/06/64/607040664.db2.gz QSRFLLVXYJXZFZ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cn(Cc2cc(F)ccc2-c2nn[n-]n2)cn1 ZINC000823647960 607040666 /nfs/dbraw/zinc/04/06/66/607040666.db2.gz QSRFLLVXYJXZFZ-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607081768 1164071362 /nfs/dbraw/zinc/07/13/62/1164071362.db2.gz GNOUEBKBWYHWFD-BZBKMWRSSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607081768 1164071371 /nfs/dbraw/zinc/07/13/71/1164071371.db2.gz GNOUEBKBWYHWFD-BZBKMWRSSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@H]2CCC[C@@H]2O)ccc1-c1nnn[n-]1 ZINC001607080338 1164071895 /nfs/dbraw/zinc/07/18/95/1164071895.db2.gz UWNYOCMAOWSXTD-ONGXEEELSA-N -1 3 290.283 1.100 20 5 CDBDHM C[C@H](O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609128595 1164781973 /nfs/dbraw/zinc/78/19/73/1164781973.db2.gz QBAJSEGFEQXLLZ-YUMQZZPRSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1nccc1[N+](=O)[O-] ZINC001609388913 1164924200 /nfs/dbraw/zinc/92/42/00/1164924200.db2.gz ZKGATLMMKSRGHM-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1nccc1[N+](=O)[O-] ZINC001609388913 1164924206 /nfs/dbraw/zinc/92/42/06/1164924206.db2.gz ZKGATLMMKSRGHM-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCF ZINC001609601636 1165002891 /nfs/dbraw/zinc/00/28/91/1165002891.db2.gz RWKKANAVPOZMEO-UHFFFAOYSA-N -1 3 252.209 1.156 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCF ZINC001609601636 1165002894 /nfs/dbraw/zinc/00/28/94/1165002894.db2.gz RWKKANAVPOZMEO-UHFFFAOYSA-N -1 3 252.209 1.156 20 5 CDBDHM O=[N+]([O-])c1cnc(NC/C=C/Cl)c(-c2nnn[n-]2)c1 ZINC001593484893 1174084922 /nfs/dbraw/zinc/08/49/22/1174084922.db2.gz LZBFABREOSCNPG-OWOJBTEDSA-N -1 3 281.663 1.334 20 5 CDBDHM O=[N+]([O-])c1cnc(NC/C=C/Cl)c(-c2nn[n-]n2)c1 ZINC001593484893 1174084929 /nfs/dbraw/zinc/08/49/29/1174084929.db2.gz LZBFABREOSCNPG-OWOJBTEDSA-N -1 3 281.663 1.334 20 5 CDBDHM CC1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)COC1 ZINC000870664383 1165199203 /nfs/dbraw/zinc/19/92/03/1165199203.db2.gz NAZZPEQSSPMIKZ-UHFFFAOYSA-N -1 3 286.234 1.592 20 5 CDBDHM Cc1nc(O[C@H](C[N+](=O)[O-])C2CC2)c(C)c(=O)[n-]1 ZINC001229687014 908255270 /nfs/dbraw/zinc/25/52/70/908255270.db2.gz XOMPWFGECGLWGL-SECBINFHSA-N -1 3 253.258 1.233 20 5 CDBDHM Cc1ncc(Nc2cc(Cl)cc([N+](=O)[O-])n2)c(=O)[n-]1 ZINC001162301270 922214034 /nfs/dbraw/zinc/21/40/34/922214034.db2.gz PBGUWCXMZUAWGH-SSDOTTSWSA-N -1 3 281.659 1.453 20 5 CDBDHM COc1cc(C(=O)[N-]N2CCOC2=O)cc([N+](=O)[O-])c1C ZINC000862702683 929459563 /nfs/dbraw/zinc/45/95/63/929459563.db2.gz DACUOJLWOUJTDM-UHFFFAOYSA-N -1 3 295.251 1.009 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843879340 931512228 /nfs/dbraw/zinc/51/22/28/931512228.db2.gz BZVNCEHULOJVKS-UHFFFAOYSA-N -1 3 293.258 1.906 20 5 CDBDHM CCC(=O)NC[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001091418798 932153286 /nfs/dbraw/zinc/15/32/86/932153286.db2.gz KVTTVXXEHIIECC-KYZUINATSA-N -1 3 294.311 1.412 20 5 CDBDHM Cn1cc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000800400421 935901975 /nfs/dbraw/zinc/90/19/75/935901975.db2.gz WQACRFSJHIFZHD-UHFFFAOYSA-N -1 3 287.235 1.424 20 5 CDBDHM NCc1nccnc1[N-]c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001160245818 938776850 /nfs/dbraw/zinc/77/68/50/938776850.db2.gz HQNNSCVCYHFTRF-UHFFFAOYSA-N -1 3 297.278 1.530 20 5 CDBDHM O=c1[n-]cncc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190564 940738458 /nfs/dbraw/zinc/73/84/58/940738458.db2.gz DXBCNAZULSJCJO-UHFFFAOYSA-N -1 3 250.189 1.973 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ncccn2)c1[N+](=O)[O-] ZINC001228687028 942357868 /nfs/dbraw/zinc/35/78/68/942357868.db2.gz TXLIJSMFKZQIFE-MRVPVSSYSA-N -1 3 276.252 1.934 20 5 CDBDHM O=C([O-])[C@H]1[C@H](CNCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000715334201 977744659 /nfs/dbraw/zinc/74/46/59/977744659.db2.gz LRGVYGLAHNNQGZ-WCBMZHEXSA-N -1 3 286.234 1.650 20 5 CDBDHM CN1CCC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000533213199 282103211 /nfs/dbraw/zinc/10/32/11/282103211.db2.gz BEMDDIUEZCJRMB-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM COc1cc(CN[C@@H](CO)CCF)c([N+](=O)[O-])cc1[O-] ZINC000593690455 342823292 /nfs/dbraw/zinc/82/32/92/342823292.db2.gz YVDZJELBYDQYMH-SECBINFHSA-N -1 3 288.275 1.119 20 5 CDBDHM C[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000594540132 342915209 /nfs/dbraw/zinc/91/52/09/342915209.db2.gz BEUYPCOHFKPOGA-QMMMGPOBSA-N -1 3 296.279 1.176 20 5 CDBDHM CN(Cc1nccn1C(F)F)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596077733 343226751 /nfs/dbraw/zinc/22/67/51/343226751.db2.gz XNKUXVCJDNPNEA-UHFFFAOYSA-N -1 3 299.237 1.923 20 5 CDBDHM Cc1ncsc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000355971917 282235461 /nfs/dbraw/zinc/23/54/61/282235461.db2.gz KHFUQZQLABJKKW-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM CC(C)OC(=O)[C@@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138695 343241564 /nfs/dbraw/zinc/24/15/64/343241564.db2.gz CCBOXKOWLPDOPG-QMMMGPOBSA-N -1 3 283.284 1.695 20 5 CDBDHM O=c1[n-]ccc(S[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000596186837 343252211 /nfs/dbraw/zinc/25/22/11/343252211.db2.gz MCKYAIOUFOHBTR-SSDOTTSWSA-N -1 3 256.283 1.967 20 5 CDBDHM CO[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596189360 343252370 /nfs/dbraw/zinc/25/23/70/343252370.db2.gz HYQTZYYQUHQDMB-SECBINFHSA-N -1 3 267.285 1.701 20 5 CDBDHM CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436956515 362153944 /nfs/dbraw/zinc/15/39/44/362153944.db2.gz RVGGMJVHSYEBQB-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM C[C@@H]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000596270400 343281756 /nfs/dbraw/zinc/28/17/56/343281756.db2.gz GKHRKDYAFRAKKK-HLTSFMKQSA-N -1 3 267.285 1.921 20 5 CDBDHM O=[N+]([O-])c1ccsc1SCCc1nnn[n-]1 ZINC000603397771 344798348 /nfs/dbraw/zinc/79/83/48/344798348.db2.gz RSTIRSPBEXSUDV-UHFFFAOYSA-N -1 3 257.300 1.504 20 5 CDBDHM O=[N+]([O-])c1ccsc1SCCc1nn[n-]n1 ZINC000603397771 344798350 /nfs/dbraw/zinc/79/83/50/344798350.db2.gz RSTIRSPBEXSUDV-UHFFFAOYSA-N -1 3 257.300 1.504 20 5 CDBDHM CCc1noc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])n1 ZINC000292654578 198363797 /nfs/dbraw/zinc/36/37/97/198363797.db2.gz GUAYIRYSFRKEHU-UHFFFAOYSA-N -1 3 294.267 1.867 20 5 CDBDHM Cc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000189435200 358011526 /nfs/dbraw/zinc/01/15/26/358011526.db2.gz BZIMTIPDZRQWAI-JTQLQIEISA-N -1 3 295.295 1.993 20 5 CDBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000567773828 293867339 /nfs/dbraw/zinc/86/73/39/293867339.db2.gz OFIPHGOAUCNUPQ-RKDXNWHRSA-N -1 3 286.309 1.051 20 5 CDBDHM CN(CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000166756799 360851336 /nfs/dbraw/zinc/85/13/36/360851336.db2.gz XZCHLPMCDPEDIV-UHFFFAOYSA-N -1 3 280.284 1.194 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CNC1(CO)CCCC1 ZINC000339045298 361227542 /nfs/dbraw/zinc/22/75/42/361227542.db2.gz SUGUQEPNIFVWRG-UHFFFAOYSA-N -1 3 266.297 1.695 20 5 CDBDHM CC[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124220494 368209691 /nfs/dbraw/zinc/20/96/91/368209691.db2.gz PRSYPGOEXKPWDT-SSDOTTSWSA-N -1 3 294.354 1.014 20 5 CDBDHM COc1cnc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000550245087 390464658 /nfs/dbraw/zinc/46/46/58/390464658.db2.gz AWBACQOVQNRGON-UHFFFAOYSA-N -1 3 269.242 1.035 20 5 CDBDHM Cc1[nH]nc(C(=O)Nc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000438970045 391358398 /nfs/dbraw/zinc/35/83/98/391358398.db2.gz UINMCUGURVSVBK-UHFFFAOYSA-N -1 3 262.225 1.584 20 5 CDBDHM Cc1n[nH]c(C(=O)[N-]OC/C=C/Cl)c1[N+](=O)[O-] ZINC000291689789 533667454 /nfs/dbraw/zinc/66/74/54/533667454.db2.gz BICLDJZGRUXQAB-NSCUHMNNSA-N -1 3 260.637 1.040 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000430001492 393088938 /nfs/dbraw/zinc/08/89/38/393088938.db2.gz RSDAAWZNKONSHG-WDEREUQCSA-N -1 3 296.348 1.980 20 5 CDBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1C ZINC000355823558 157255006 /nfs/dbraw/zinc/25/50/06/157255006.db2.gz ZAVVMSKPIBAMHK-UHFFFAOYSA-N -1 3 295.686 1.937 20 5 CDBDHM CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000275960575 289057918 /nfs/dbraw/zinc/05/79/18/289057918.db2.gz KONCUWJOVMAROJ-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM COc1nnc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000255513876 289374394 /nfs/dbraw/zinc/37/43/94/289374394.db2.gz DIEBHTSBLWCVQH-WAYWQWQTSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1nc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000255513876 289374397 /nfs/dbraw/zinc/37/43/97/289374397.db2.gz DIEBHTSBLWCVQH-WAYWQWQTSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1n[n-]c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 ZINC000255513876 289374399 /nfs/dbraw/zinc/37/43/99/289374399.db2.gz DIEBHTSBLWCVQH-WAYWQWQTSA-N -1 3 289.251 1.373 20 5 CDBDHM CCCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590538807 1173454907 /nfs/dbraw/zinc/45/49/07/1173454907.db2.gz RJMALCJQHFAWOW-UHFFFAOYSA-N -1 3 291.267 1.618 20 5 CDBDHM CCCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590538807 1173454910 /nfs/dbraw/zinc/45/49/10/1173454910.db2.gz RJMALCJQHFAWOW-UHFFFAOYSA-N -1 3 291.267 1.618 20 5 CDBDHM Cn1ncnc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000228626764 1161019993 /nfs/dbraw/zinc/01/99/93/1161019993.db2.gz RBFXISKMLXADCB-UHFFFAOYSA-N -1 3 283.194 1.254 20 5 CDBDHM O=[N+]([O-])c1ccnn1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000738369195 576063327 /nfs/dbraw/zinc/06/33/27/576063327.db2.gz JFPHSZADHSBYJM-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1ccnn1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000738369195 576063329 /nfs/dbraw/zinc/06/33/29/576063329.db2.gz JFPHSZADHSBYJM-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM CO[C@@H](C)CC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768839350 576312172 /nfs/dbraw/zinc/31/21/72/576312172.db2.gz QOAWVCJVTMTDPG-ZETCQYMHSA-N -1 3 294.354 1.360 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000755287918 576938796 /nfs/dbraw/zinc/93/87/96/576938796.db2.gz OFBDIYPEIWZTCA-UHFFFAOYSA-N -1 3 297.292 1.702 20 5 CDBDHM O=C([O-])C[C@@]1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC001601936658 1175074897 /nfs/dbraw/zinc/07/48/97/1175074897.db2.gz GSWRSCFTFONGOA-ZDUSSCGKSA-N -1 3 298.270 1.457 20 5 CDBDHM C[C@@H](CCO)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820249166 599082628 /nfs/dbraw/zinc/08/26/28/599082628.db2.gz SUSVJGGZAXUMJE-ZETCQYMHSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@@H](CCO)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820249166 599082629 /nfs/dbraw/zinc/08/26/29/599082629.db2.gz SUSVJGGZAXUMJE-ZETCQYMHSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@@H](O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820467657 599099858 /nfs/dbraw/zinc/09/98/58/599099858.db2.gz KZRUSURHOUFXJI-RQJHMYQMSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@@H](O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820467657 599099861 /nfs/dbraw/zinc/09/98/61/599099861.db2.gz KZRUSURHOUFXJI-RQJHMYQMSA-N -1 3 295.324 1.636 20 5 CDBDHM C[C@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825019817 608148070 /nfs/dbraw/zinc/14/80/70/608148070.db2.gz HDEUQRMTUBQPFT-VXNVDRBHSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825019817 608148071 /nfs/dbraw/zinc/14/80/71/608148071.db2.gz HDEUQRMTUBQPFT-VXNVDRBHSA-N -1 3 290.283 1.364 20 5 CDBDHM COc1ccc(CC(=O)[N-]OC2CCC2)cc1[N+](=O)[O-] ZINC000812789518 617336344 /nfs/dbraw/zinc/33/63/44/617336344.db2.gz CRUSBFRYYXIVHL-UHFFFAOYSA-N -1 3 280.280 1.746 20 5 CDBDHM COc1c([O-])ccc(CN2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000891670243 617530396 /nfs/dbraw/zinc/53/03/96/617530396.db2.gz JBPACUAEEXAYBO-NXEZZACHSA-N -1 3 296.323 1.918 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1C[C@@H](F)[C@@H](F)C1 ZINC001607081213 1164070906 /nfs/dbraw/zinc/07/09/06/1164070906.db2.gz BORSBPSGRMGCBS-OCAPTIKFSA-N -1 3 296.237 1.271 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1C[C@@H](F)[C@@H](F)C1 ZINC001607081213 1164070909 /nfs/dbraw/zinc/07/09/09/1164070909.db2.gz BORSBPSGRMGCBS-OCAPTIKFSA-N -1 3 296.237 1.271 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@H]2C=CCCC2)c(-c2nnn[n-]2)c1 ZINC001607086289 1164073343 /nfs/dbraw/zinc/07/33/43/1164073343.db2.gz KPVBFYNSINQUBD-QMMMGPOBSA-N -1 3 287.283 1.691 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@H]2C=CCCC2)c(-c2nn[n-]n2)c1 ZINC001607086289 1164073351 /nfs/dbraw/zinc/07/33/51/1164073351.db2.gz KPVBFYNSINQUBD-QMMMGPOBSA-N -1 3 287.283 1.691 20 5 CDBDHM C[C@H](CCO)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609111038 1164777826 /nfs/dbraw/zinc/77/78/26/1164777826.db2.gz FKXFPVXHUPYKPJ-MRVPVSSYSA-N -1 3 292.299 1.205 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001579869201 1172284495 /nfs/dbraw/zinc/28/44/95/1172284495.db2.gz SVEXKMXQLDAVAB-SKDRFNHKSA-N -1 3 290.283 1.364 20 5 CDBDHM CO[C@@]1(C)C[C@H]1Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001579869201 1172284504 /nfs/dbraw/zinc/28/45/04/1172284504.db2.gz SVEXKMXQLDAVAB-SKDRFNHKSA-N -1 3 290.283 1.364 20 5 CDBDHM Cc1c[nH]c(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001581321025 1172603206 /nfs/dbraw/zinc/60/32/06/1172603206.db2.gz QBUSZMTWAFJBQJ-UHFFFAOYSA-N -1 3 292.284 1.612 20 5 CDBDHM Cc1c[nH]c(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001581321025 1172603211 /nfs/dbraw/zinc/60/32/11/1172603211.db2.gz QBUSZMTWAFJBQJ-UHFFFAOYSA-N -1 3 292.284 1.612 20 5 CDBDHM C[C@H]1CC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590238214 1173311026 /nfs/dbraw/zinc/31/10/26/1173311026.db2.gz CLEJEZLHQIVEOU-IONNQARKSA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@H]1CC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590238214 1173311030 /nfs/dbraw/zinc/31/10/30/1173311030.db2.gz CLEJEZLHQIVEOU-IONNQARKSA-N -1 3 274.284 1.985 20 5 CDBDHM Cc1cc(N[C@@H]2CCOC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592054301 1173788129 /nfs/dbraw/zinc/78/81/29/1173788129.db2.gz HAUVJDAPSXDVJF-MRVPVSSYSA-N -1 3 290.283 1.284 20 5 CDBDHM Cc1cc(N[C@@H]2CCOC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592054301 1173788132 /nfs/dbraw/zinc/78/81/32/1173788132.db2.gz HAUVJDAPSXDVJF-MRVPVSSYSA-N -1 3 290.283 1.284 20 5 CDBDHM O=[N+]([O-])c1ccc(NC2CC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC001593478189 1174081937 /nfs/dbraw/zinc/08/19/37/1174081937.db2.gz FNPKDNINTOXHTH-UHFFFAOYSA-N -1 3 296.237 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(NC2CC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC001593478189 1174081941 /nfs/dbraw/zinc/08/19/41/1174081941.db2.gz FNPKDNINTOXHTH-UHFFFAOYSA-N -1 3 296.237 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ccncn2)c(-c2nnn[n-]2)c1 ZINC001593478897 1174082298 /nfs/dbraw/zinc/08/22/98/1174082298.db2.gz PGTBRXHRIJRJHH-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2ccncn2)c(-c2nn[n-]n2)c1 ZINC001593478897 1174082302 /nfs/dbraw/zinc/08/23/02/1174082302.db2.gz PGTBRXHRIJRJHH-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1cn[nH]c1 ZINC001593482633 1174083868 /nfs/dbraw/zinc/08/38/68/1174083868.db2.gz FVUWUBAPILUIBR-UHFFFAOYSA-N -1 3 272.228 1.242 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1cn[nH]c1 ZINC001593482633 1174083873 /nfs/dbraw/zinc/08/38/73/1174083873.db2.gz FVUWUBAPILUIBR-UHFFFAOYSA-N -1 3 272.228 1.242 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC1CCC1 ZINC001607081892 1164072196 /nfs/dbraw/zinc/07/21/96/1164072196.db2.gz KEYPUJYEZBQOQD-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC1CCC1 ZINC001607081892 1164072205 /nfs/dbraw/zinc/07/22/05/1164072205.db2.gz KEYPUJYEZBQOQD-UHFFFAOYSA-N -1 3 274.284 1.987 20 5 CDBDHM Cc1c([C@@H]2C[C@H]2Nc2cc[n-]c(=O)c2[N+](=O)[O-])cnn1C ZINC000853560358 785340503 /nfs/dbraw/zinc/34/05/03/785340503.db2.gz OOQUURFFJLBTEC-GZMMTYOYSA-N -1 3 289.295 1.705 20 5 CDBDHM CCc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nn1C ZINC000817688554 785582868 /nfs/dbraw/zinc/58/28/68/785582868.db2.gz FSCWHUGPDMTNQP-UHFFFAOYSA-N -1 3 291.267 1.244 20 5 CDBDHM COc1ccccc1OC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000794624782 789723222 /nfs/dbraw/zinc/72/32/22/789723222.db2.gz GNRHNVYUIVRVFL-UHFFFAOYSA-N -1 3 263.209 1.546 20 5 CDBDHM C[C@@H]1COCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664988 903637975 /nfs/dbraw/zinc/63/79/75/903637975.db2.gz VZCGXLARRWYUOO-VXNVDRBHSA-N -1 3 254.242 1.499 20 5 CDBDHM CC(C)=C(F)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093547201 909949614 /nfs/dbraw/zinc/94/96/14/909949614.db2.gz ZUOCCGHMVCZPEO-UHFFFAOYSA-N -1 3 298.274 1.487 20 5 CDBDHM COc1cncc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199814092 925875757 /nfs/dbraw/zinc/87/57/57/925875757.db2.gz DWLPZSCYYGGYKW-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)C1 ZINC001156590734 938390284 /nfs/dbraw/zinc/39/02/84/938390284.db2.gz PWZQRULVROVHJW-LBPRGKRZSA-N -1 3 293.323 1.370 20 5 CDBDHM CC(C)OCCOc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693161 942205261 /nfs/dbraw/zinc/20/52/61/942205261.db2.gz MTUHALDELHXYRH-UHFFFAOYSA-N -1 3 266.257 1.670 20 5 CDBDHM O=[N+]([O-])c1cnc(O[C@H]2CCOC[C@H]2F)c2[n-]cnc21 ZINC001227694121 942207187 /nfs/dbraw/zinc/20/71/87/942207187.db2.gz DREHPOLHMUADQE-SVRRBLITSA-N -1 3 282.231 1.372 20 5 CDBDHM O=c1nc2cccnc2c(O[C@@H](C[N+](=O)[O-])C2CC2)[n-]1 ZINC001228008481 942256534 /nfs/dbraw/zinc/25/65/34/942256534.db2.gz OJAOXJZHXGCDFL-VIFPVBQESA-N -1 3 276.252 1.165 20 5 CDBDHM O=c1[n-]ccc(Sc2nnc3ccccn32)c1[N+](=O)[O-] ZINC001306910422 956349616 /nfs/dbraw/zinc/34/96/16/956349616.db2.gz AOUOERFGNZEPFQ-UHFFFAOYSA-N -1 3 289.276 1.889 20 5 CDBDHM Cc1cc(S(=O)(=O)[N-]C2CCC2)c(F)cc1[N+](=O)[O-] ZINC000601435207 342562529 /nfs/dbraw/zinc/56/25/29/342562529.db2.gz OOIWIZFOBNSVIL-UHFFFAOYSA-N -1 3 288.300 1.873 20 5 CDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1CC=CC1 ZINC000619491086 349746516 /nfs/dbraw/zinc/74/65/16/349746516.db2.gz ICPTYWWXRVVMOY-UHFFFAOYSA-N -1 3 298.320 1.600 20 5 CDBDHM CN(C[C@H]1CCCN1C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166803973 362061010 /nfs/dbraw/zinc/06/10/10/362061010.db2.gz LGKWVUJXZZWMDU-SECBINFHSA-N -1 3 294.311 1.218 20 5 CDBDHM COC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596190059 343252881 /nfs/dbraw/zinc/25/28/81/343252881.db2.gz UTXRJYHEMBQASQ-UHFFFAOYSA-N -1 3 253.258 1.676 20 5 CDBDHM NC(=O)[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596280264 343286748 /nfs/dbraw/zinc/28/67/48/343286748.db2.gz WPRZUQKSIWIQHQ-KYZUINATSA-N -1 3 294.311 1.399 20 5 CDBDHM Cc1cc(Sc2n[n-]c(CO)n2)c([N+](=O)[O-])s1 ZINC000596203239 343264489 /nfs/dbraw/zinc/26/44/89/343264489.db2.gz CHKSTFJRIASYTG-UHFFFAOYSA-N -1 3 272.311 1.726 20 5 CDBDHM C[C@@H](CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596255777 343276074 /nfs/dbraw/zinc/27/60/74/343276074.db2.gz ULVOBPMZMCBPEG-MRVPVSSYSA-N -1 3 255.274 1.516 20 5 CDBDHM COC(=O)[C@@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596277866 343296336 /nfs/dbraw/zinc/29/63/36/343296336.db2.gz JODNYNMVNGAAPL-ZDUSSCGKSA-N -1 3 295.295 1.475 20 5 CDBDHM COCCn1cc([N-]c2ncc(C)cc2[N+](=O)[O-])cn1 ZINC000090692204 180024700 /nfs/dbraw/zinc/02/47/00/180024700.db2.gz VWWHFXHRMRLTJZ-UHFFFAOYSA-N -1 3 277.284 1.885 20 5 CDBDHM COCCO[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000135128836 357683562 /nfs/dbraw/zinc/68/35/62/357683562.db2.gz AUYMALQGZJIJKS-AATRIKPKSA-N -1 3 266.253 1.302 20 5 CDBDHM CCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1OC ZINC000581829619 364039813 /nfs/dbraw/zinc/03/98/13/364039813.db2.gz CWPHHVNUMAJFDD-UHFFFAOYSA-N -1 3 268.269 1.510 20 5 CDBDHM COc1ccc(S(=O)(=O)[N-]C2CCC2)c([N+](=O)[O-])c1 ZINC000416507736 242028715 /nfs/dbraw/zinc/02/87/15/242028715.db2.gz OVWYHKWEAFOLRM-UHFFFAOYSA-N -1 3 286.309 1.434 20 5 CDBDHM COC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122718001 367724831 /nfs/dbraw/zinc/72/48/31/367724831.db2.gz GXZHOKJFNZSTMO-LURJTMIESA-N -1 3 294.354 1.278 20 5 CDBDHM CC[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000420751631 244360654 /nfs/dbraw/zinc/36/06/54/244360654.db2.gz WUZIKMKAPSAOOX-ZETCQYMHSA-N -1 3 294.354 1.014 20 5 CDBDHM COc1cc(CNC[C@@H](O)C(F)F)c([N+](=O)[O-])cc1[O-] ZINC000344766332 375430432 /nfs/dbraw/zinc/43/04/32/375430432.db2.gz XMOZYTRPEXQRRS-SECBINFHSA-N -1 3 292.238 1.025 20 5 CDBDHM COCCn1cc([N-]c2ncc([N+](=O)[O-])cc2F)cn1 ZINC000413077358 391155626 /nfs/dbraw/zinc/15/56/26/391155626.db2.gz WLTZLLPXHZHWAW-UHFFFAOYSA-N -1 3 281.247 1.715 20 5 CDBDHM O=C([N-]OC[C@H]1CCOC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000191033105 130174360 /nfs/dbraw/zinc/17/43/60/130174360.db2.gz DZLOLFCWFFWGGQ-VIFPVBQESA-N -1 3 281.268 1.684 20 5 CDBDHM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1C ZINC000284866029 196147704 /nfs/dbraw/zinc/14/77/04/196147704.db2.gz KGIFIQBWECJVSG-UHFFFAOYSA-N -1 3 293.258 1.732 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C(=O)[O-] ZINC000035303915 172118907 /nfs/dbraw/zinc/11/89/07/172118907.db2.gz QOPUUMAIZPYDCR-NSHDSACASA-N -1 3 280.280 1.652 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C ZINC000046034415 175390585 /nfs/dbraw/zinc/39/05/85/175390585.db2.gz RCPGOJCOKCZJKR-ZJUUUORDSA-N -1 3 284.337 1.838 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000564813669 293420802 /nfs/dbraw/zinc/42/08/02/293420802.db2.gz CXQYJFMMPDMSOR-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM C[C@@H](C(=O)[O-])[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000567116807 316741011 /nfs/dbraw/zinc/74/10/11/316741011.db2.gz NBESPXMDUYTKKR-SFYZADRCSA-N -1 3 292.295 1.670 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000738370383 576063434 /nfs/dbraw/zinc/06/34/34/576063434.db2.gz PLKHOHFITZSZDO-KCJUWKMLSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000738370383 576063436 /nfs/dbraw/zinc/06/34/36/576063436.db2.gz PLKHOHFITZSZDO-KCJUWKMLSA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccno2)cs1 ZINC000768890316 576315956 /nfs/dbraw/zinc/31/59/56/576315956.db2.gz VQNFLXGERGRYEL-UHFFFAOYSA-N -1 3 289.294 1.123 20 5 CDBDHM COCCO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000755450238 576945157 /nfs/dbraw/zinc/94/51/57/576945157.db2.gz YQLKUIQRQOJTLY-UHFFFAOYSA-N -1 3 268.269 1.222 20 5 CDBDHM COc1ccc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000227150852 601540447 /nfs/dbraw/zinc/54/04/47/601540447.db2.gz WIXTXSYJOZJHMG-MWLCHTKSSA-N -1 3 294.307 1.756 20 5 CDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C ZINC000820777453 606418903 /nfs/dbraw/zinc/41/89/03/606418903.db2.gz RHENWBZICYCHHL-OCAPTIKFSA-N -1 3 289.299 1.262 20 5 CDBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C ZINC000820777453 606418904 /nfs/dbraw/zinc/41/89/04/606418904.db2.gz RHENWBZICYCHHL-OCAPTIKFSA-N -1 3 289.299 1.262 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000823652218 607040527 /nfs/dbraw/zinc/04/05/27/607040527.db2.gz WWSFPYYYCZVCDK-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1cnn(Cc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000823652218 607040528 /nfs/dbraw/zinc/04/05/28/607040528.db2.gz WWSFPYYYCZVCDK-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM C[C@H](NC1CC1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604329957 1163152955 /nfs/dbraw/zinc/15/29/55/1163152955.db2.gz MTJZAKXXVWMAGK-ZETCQYMHSA-N -1 3 293.279 1.372 20 5 CDBDHM Cc1cc(NC2CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605724155 1163652333 /nfs/dbraw/zinc/65/23/33/1163652333.db2.gz XQHULHKNYQWYID-UHFFFAOYSA-N -1 3 260.257 1.658 20 5 CDBDHM Cc1cc(NC2CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605724155 1163652337 /nfs/dbraw/zinc/65/23/37/1163652337.db2.gz XQHULHKNYQWYID-UHFFFAOYSA-N -1 3 260.257 1.658 20 5 CDBDHM C[C@@H](O)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609129671 1164787584 /nfs/dbraw/zinc/78/75/84/1164787584.db2.gz WZUSOQJVYKYIGT-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM C[C@@H](O)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609129671 1164787591 /nfs/dbraw/zinc/78/75/91/1164787591.db2.gz WZUSOQJVYKYIGT-MRVPVSSYSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CC12CC2 ZINC001609602707 1165001446 /nfs/dbraw/zinc/00/14/46/1165001446.db2.gz FBDBWPZVAQNGOA-SECBINFHSA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CC12CC2 ZINC001609602707 1165001453 /nfs/dbraw/zinc/00/14/53/1165001453.db2.gz FBDBWPZVAQNGOA-SECBINFHSA-N -1 3 272.268 1.739 20 5 CDBDHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CO1 ZINC001590207415 1173291839 /nfs/dbraw/zinc/29/18/39/1173291839.db2.gz RWHMLGAAVLXCOE-IONNQARKSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CO1 ZINC001590207411 1173292557 /nfs/dbraw/zinc/29/25/57/1173292557.db2.gz RWHMLGAAVLXCOE-APPZFPTMSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001590273962 1173337664 /nfs/dbraw/zinc/33/76/64/1173337664.db2.gz CTQQHVUMOFLTCD-SSDOTTSWSA-N -1 3 289.299 1.203 20 5 CDBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001590273962 1173337672 /nfs/dbraw/zinc/33/76/72/1173337672.db2.gz CTQQHVUMOFLTCD-SSDOTTSWSA-N -1 3 289.299 1.203 20 5 CDBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590316432 1173350355 /nfs/dbraw/zinc/35/03/55/1173350355.db2.gz MIWNIOFFTPPCCA-RQJHMYQMSA-N -1 3 275.272 1.015 20 5 CDBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590316432 1173350367 /nfs/dbraw/zinc/35/03/67/1173350367.db2.gz MIWNIOFFTPPCCA-RQJHMYQMSA-N -1 3 275.272 1.015 20 5 CDBDHM CO[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591474163 1173659097 /nfs/dbraw/zinc/65/90/97/1173659097.db2.gz ZTVDJLYCYZRZHJ-SSDOTTSWSA-N -1 3 278.272 1.222 20 5 CDBDHM CO[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591474163 1173659102 /nfs/dbraw/zinc/65/91/02/1173659102.db2.gz ZTVDJLYCYZRZHJ-SSDOTTSWSA-N -1 3 278.272 1.222 20 5 CDBDHM CC1CC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001603851226 1175654598 /nfs/dbraw/zinc/65/45/98/1175654598.db2.gz VDEIXJBCXKEFIW-UHFFFAOYSA-N -1 3 289.299 1.628 20 5 CDBDHM CC1CC(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001603851226 1175654603 /nfs/dbraw/zinc/65/46/03/1175654603.db2.gz VDEIXJBCXKEFIW-UHFFFAOYSA-N -1 3 289.299 1.628 20 5 CDBDHM CC(C)(CC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001609673883 1165035438 /nfs/dbraw/zinc/03/54/38/1165035438.db2.gz APZHKTTZKLDYLO-UHFFFAOYSA-N -1 3 297.267 1.846 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000718988205 791784727 /nfs/dbraw/zinc/78/47/27/791784727.db2.gz KYBBBNOWWSNYQN-VIFPVBQESA-N -1 3 295.295 1.285 20 5 CDBDHM O=c1[n-]ccc(NCc2nccn2C(F)F)c1[N+](=O)[O-] ZINC001306942268 1167455813 /nfs/dbraw/zinc/45/58/13/1167455813.db2.gz RKRYTMHYHYCWQX-UHFFFAOYSA-N -1 3 285.210 1.899 20 5 CDBDHM Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n2ncnc2n1 ZINC001199801213 925867781 /nfs/dbraw/zinc/86/77/81/925867781.db2.gz BTJMEQKNPAGFGS-UHFFFAOYSA-N -1 3 286.251 1.790 20 5 CDBDHM COc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)nn1 ZINC001199802282 925868300 /nfs/dbraw/zinc/86/83/00/925868300.db2.gz NVVZHCWOPXNOKZ-UHFFFAOYSA-N -1 3 262.225 1.843 20 5 CDBDHM NC(=O)c1cccnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814703 925876043 /nfs/dbraw/zinc/87/60/43/925876043.db2.gz NLSITTMENHFKJS-UHFFFAOYSA-N -1 3 274.236 1.538 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001156279557 938346478 /nfs/dbraw/zinc/34/64/78/938346478.db2.gz UUEOELFWMJRFDS-SSDOTTSWSA-N -1 3 297.702 1.567 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@@H]2CCCO2)c2[n-]cnc21 ZINC001227690554 942205151 /nfs/dbraw/zinc/20/51/51/942205151.db2.gz ILCUMZOHBXKITE-ZETCQYMHSA-N -1 3 264.241 1.424 20 5 CDBDHM COC(=O)[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747273 942217309 /nfs/dbraw/zinc/21/73/09/942217309.db2.gz ZLKQPROKDQFDLN-ZCFIWIBFSA-N -1 3 265.225 1.411 20 5 CDBDHM COC(=O)[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747273 942217314 /nfs/dbraw/zinc/21/73/14/942217314.db2.gz ZLKQPROKDQFDLN-ZCFIWIBFSA-N -1 3 265.225 1.411 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCOC2=O)c1[N+](=O)[O-] ZINC001228684886 942356396 /nfs/dbraw/zinc/35/63/96/942356396.db2.gz ADQDUCSLWWLMBF-ZETCQYMHSA-N -1 3 268.225 1.088 20 5 CDBDHM O=c1[n-]cc(-c2nnc(C3CCOCC3)o2)cc1[N+](=O)[O-] ZINC001255705646 948082456 /nfs/dbraw/zinc/08/24/56/948082456.db2.gz UELFLOLGNPFFAR-UHFFFAOYSA-N -1 3 292.251 1.639 20 5 CDBDHM C[C@@H]1C[C@@H]1c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001256710076 948404928 /nfs/dbraw/zinc/40/49/28/948404928.db2.gz QNKRRBGJWYMUHH-VDTYLAMSSA-N -1 3 262.225 1.869 20 5 CDBDHM C[C@](O)(CNCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589146624 956296181 /nfs/dbraw/zinc/29/61/81/956296181.db2.gz GUCGACGLZSILHG-NSHDSACASA-N -1 3 288.687 1.173 20 5 CDBDHM Cn1cc([N+](=O)[O-])c(NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC001307103683 956364045 /nfs/dbraw/zinc/36/40/45/956364045.db2.gz LSYACHBIOQLDFZ-UHFFFAOYSA-N -1 3 291.193 1.077 20 5 CDBDHM COC(=O)CSc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604940863 1163389601 /nfs/dbraw/zinc/38/96/01/1163389601.db2.gz HXZAXHFJUUEPMP-UHFFFAOYSA-N -1 3 295.280 1.040 20 5 CDBDHM COC(=O)CSc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604940863 1163389605 /nfs/dbraw/zinc/38/96/05/1163389605.db2.gz HXZAXHFJUUEPMP-UHFFFAOYSA-N -1 3 295.280 1.040 20 5 CDBDHM Cc1nc2n(n1)C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596103874 343228038 /nfs/dbraw/zinc/22/80/38/343228038.db2.gz HJIFEVOIOGELMK-QMMMGPOBSA-N -1 3 290.283 1.022 20 5 CDBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOC1 ZINC000596127128 343237683 /nfs/dbraw/zinc/23/76/83/343237683.db2.gz VJOSOXXVHFCXSA-NSHDSACASA-N -1 3 253.258 1.534 20 5 CDBDHM CC(C)[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596246663 343286092 /nfs/dbraw/zinc/28/60/92/343286092.db2.gz FQXRUQYZEBNCNX-NSHDSACASA-N -1 3 281.312 1.947 20 5 CDBDHM C[C@@H]1CCC[C@]1(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596247276 343286663 /nfs/dbraw/zinc/28/66/63/343286663.db2.gz MPGYSKPLNRIEFN-PELKAZGASA-N -1 3 267.285 1.658 20 5 CDBDHM C[C@@H](O)C[C@@H]1CCCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172119 343259241 /nfs/dbraw/zinc/25/92/41/343259241.db2.gz KWHOLGMXZHRNKK-BDAKNGLRSA-N -1 3 267.285 1.435 20 5 CDBDHM C[C@@H]1OCC[C@H]1Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172471 343259281 /nfs/dbraw/zinc/25/92/81/343259281.db2.gz LQNYOPMRQKNYSR-NKWVEPMBSA-N -1 3 256.283 1.965 20 5 CDBDHM CCNC(=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596207272 343266309 /nfs/dbraw/zinc/26/63/09/343266309.db2.gz QBHDCVXOGCSCFA-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM C[C@@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC000596266290 343279911 /nfs/dbraw/zinc/27/99/11/343279911.db2.gz PXTHSQRSMBHTME-HTQZYQBOSA-N -1 3 253.258 1.675 20 5 CDBDHM C[C@@H]1[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCN1C ZINC000436980739 362224159 /nfs/dbraw/zinc/22/41/59/362224159.db2.gz OUBZNRLWJRQNHW-MWLCHTKSSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCN1C ZINC000436831599 362249842 /nfs/dbraw/zinc/24/98/42/362249842.db2.gz XRDLHLSLOQVKSK-MWLCHTKSSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C ZINC000437002569 362250282 /nfs/dbraw/zinc/25/02/82/362250282.db2.gz SXHWOLABEFQKEQ-VHSXEESVSA-N -1 3 293.323 1.513 20 5 CDBDHM CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000273262261 192091404 /nfs/dbraw/zinc/09/14/04/192091404.db2.gz NCDHZTJQIBBPHD-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM CCC[C@@H](O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000158698049 188390067 /nfs/dbraw/zinc/39/00/67/188390067.db2.gz XAOFEMVJXIMPKC-SECBINFHSA-N -1 3 288.325 1.034 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000411992895 363403276 /nfs/dbraw/zinc/40/32/76/363403276.db2.gz XNJBOYRAUFYNAQ-GXFFZTMASA-N -1 3 296.323 1.178 20 5 CDBDHM COc1c(C(=O)[N-]c2ccncc2F)cccc1[N+](=O)[O-] ZINC000359898623 356437627 /nfs/dbraw/zinc/43/76/27/356437627.db2.gz KWWBXWIDDCRHRO-UHFFFAOYSA-N -1 3 291.238 1.812 20 5 CDBDHM O=C([O-])c1cc(NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000048372052 356548097 /nfs/dbraw/zinc/54/80/97/356548097.db2.gz RGJSHLBZKZATAW-UHFFFAOYSA-N -1 3 279.296 1.801 20 5 CDBDHM CC(C)c1n[nH]c(C(=O)[N-]O[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000269316846 535323362 /nfs/dbraw/zinc/32/33/62/535323362.db2.gz AAPFDLNJZYBUNP-MRVPVSSYSA-N -1 3 298.299 1.629 20 5 CDBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000342365352 359024366 /nfs/dbraw/zinc/02/43/66/359024366.db2.gz VTFZMUYMPIOPLC-MRVPVSSYSA-N -1 3 297.292 1.622 20 5 CDBDHM CNC(=O)[C@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339124874 359294744 /nfs/dbraw/zinc/29/47/44/359294744.db2.gz QJLZGJJOUMWBDP-RYUDHWBXSA-N -1 3 293.323 1.305 20 5 CDBDHM CSc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000340268408 359627081 /nfs/dbraw/zinc/62/70/81/359627081.db2.gz WQRFXATWELCTKQ-UHFFFAOYSA-N -1 3 297.271 1.826 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccc([O-])c(F)c2)nc1 ZINC000302149034 201366462 /nfs/dbraw/zinc/36/64/62/201366462.db2.gz JJHJWRLCGXWBAP-UHFFFAOYSA-N -1 3 264.216 1.842 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CC12CC2 ZINC000416644851 242085628 /nfs/dbraw/zinc/08/56/28/242085628.db2.gz JCPCHYCVLDCPNQ-SECBINFHSA-N -1 3 282.321 1.673 20 5 CDBDHM C[C@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCCN1C ZINC000354621749 375733959 /nfs/dbraw/zinc/73/39/59/375733959.db2.gz YTJHRKMULTZRHW-JOYOIKCWSA-N -1 3 293.323 1.513 20 5 CDBDHM Cc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c([O-])c1 ZINC000160149288 377285701 /nfs/dbraw/zinc/28/57/01/377285701.db2.gz DSKMPHJEVACBNH-UHFFFAOYSA-N -1 3 276.252 1.595 20 5 CDBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OC[C@H]1CCOC1 ZINC000492035540 253143486 /nfs/dbraw/zinc/14/34/86/253143486.db2.gz WSRKNZQFCASETK-GZTOBOFZSA-N -1 3 292.291 1.692 20 5 CDBDHM Cc1nc([N-]C(=O)c2csc([N+](=O)[O-])c2)n(C)n1 ZINC000183672521 391292762 /nfs/dbraw/zinc/29/27/62/391292762.db2.gz HHJJKKSPQKFPHE-UHFFFAOYSA-N -1 3 267.270 1.346 20 5 CDBDHM Cc1nn(C)c(C(=O)Nc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000438954943 391357274 /nfs/dbraw/zinc/35/72/74/391357274.db2.gz BMHCDPJIZHDTTN-UHFFFAOYSA-N -1 3 276.252 1.595 20 5 CDBDHM CCc1ccc(S(=O)(=O)[N-]CC(F)F)cc1[N+](=O)[O-] ZINC000521038040 391481669 /nfs/dbraw/zinc/48/16/69/391481669.db2.gz ZJJVBLAKEOFSOO-UHFFFAOYSA-N -1 3 294.279 1.701 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000532366999 393071181 /nfs/dbraw/zinc/07/11/81/393071181.db2.gz KHDYXAFSQKQJCA-UHFFFAOYSA-N -1 3 282.321 1.816 20 5 CDBDHM COc1cc(CNC[C@H](O)C2CCC2)c([N+](=O)[O-])cc1[O-] ZINC000449739416 393138667 /nfs/dbraw/zinc/13/86/67/393138667.db2.gz KULCKDXWOQTFLB-ZDUSSCGKSA-N -1 3 296.323 1.560 20 5 CDBDHM O=C([N-]c1ccc(=O)[nH]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000187426459 140079258 /nfs/dbraw/zinc/07/92/58/140079258.db2.gz KHTRFWAQUCMYMB-UHFFFAOYSA-N -1 3 294.654 1.996 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CC2(C)CC2)c([N+](=O)[O-])c1 ZINC000358885980 158062606 /nfs/dbraw/zinc/06/26/06/158062606.db2.gz PISSUEXJMABPRW-UHFFFAOYSA-N -1 3 284.337 1.982 20 5 CDBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1nnc(COC)[n-]1 ZINC000359585651 158297399 /nfs/dbraw/zinc/29/73/99/158297399.db2.gz FPRUTLOZCGVBCU-UHFFFAOYSA-N -1 3 298.328 1.535 20 5 CDBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1nc(COC)n[n-]1 ZINC000359585651 158297404 /nfs/dbraw/zinc/29/74/04/158297404.db2.gz FPRUTLOZCGVBCU-UHFFFAOYSA-N -1 3 298.328 1.535 20 5 CDBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1n[n-]c(COC)n1 ZINC000359585651 158297407 /nfs/dbraw/zinc/29/74/07/158297407.db2.gz FPRUTLOZCGVBCU-UHFFFAOYSA-N -1 3 298.328 1.535 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000285769705 196393442 /nfs/dbraw/zinc/39/34/42/196393442.db2.gz LCKKIHRRYLBAPC-UHFFFAOYSA-N -1 3 291.267 1.467 20 5 CDBDHM CC[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])OC ZINC001590445611 1173410543 /nfs/dbraw/zinc/41/05/43/1173410543.db2.gz GEPMIYGCXRNOHH-VIFPVBQESA-N -1 3 292.299 1.612 20 5 CDBDHM COc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)on1 ZINC000184001433 323352252 /nfs/dbraw/zinc/35/22/52/323352252.db2.gz AYZBOYSWGYZFOY-UHFFFAOYSA-N -1 3 278.224 1.547 20 5 CDBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000582581245 325001804 /nfs/dbraw/zinc/00/18/04/325001804.db2.gz SPZUFBPBROMTMS-UHFFFAOYSA-N -1 3 294.296 1.310 20 5 CDBDHM Cc1cc(NCCN(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582910016 325069536 /nfs/dbraw/zinc/06/95/36/325069536.db2.gz FDLVGDSSNNVGPF-UHFFFAOYSA-N -1 3 267.285 1.575 20 5 CDBDHM CCN(CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000160251190 528505117 /nfs/dbraw/zinc/50/51/17/528505117.db2.gz GMGJJUXITNPRGA-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC000738369172 576063453 /nfs/dbraw/zinc/06/34/53/576063453.db2.gz IWRRAFYMXHEACF-XVKPBYJWSA-N -1 3 287.283 1.159 20 5 CDBDHM O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC000738369172 576063455 /nfs/dbraw/zinc/06/34/55/576063455.db2.gz IWRRAFYMXHEACF-XVKPBYJWSA-N -1 3 287.283 1.159 20 5 CDBDHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc([O-])cc1O ZINC000748110454 576896156 /nfs/dbraw/zinc/89/61/56/576896156.db2.gz UTPLRMSFHWXNMC-UHFFFAOYSA-N -1 3 293.235 1.060 20 5 CDBDHM Cc1nn(Cc2nc(C)cc(=O)[n-]2)c(C)c1[N+](=O)[O-] ZINC000754459029 576897388 /nfs/dbraw/zinc/89/73/88/576897388.db2.gz VWBQFXKXKVLBSB-UHFFFAOYSA-N -1 3 263.257 1.260 20 5 CDBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC000820767126 606417948 /nfs/dbraw/zinc/41/79/48/606417948.db2.gz GKSOJKRCCYZTKK-RKDXNWHRSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000820767126 606417949 /nfs/dbraw/zinc/41/79/49/606417949.db2.gz GKSOJKRCCYZTKK-RKDXNWHRSA-N -1 3 288.311 1.867 20 5 CDBDHM COc1c([O-])ccc(CN2CCOCC2)c1[N+](=O)[O-] ZINC000891389893 617381252 /nfs/dbraw/zinc/38/12/52/617381252.db2.gz KAWYUHDDDGDBHR-UHFFFAOYSA-N -1 3 268.269 1.141 20 5 CDBDHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000903611048 626043296 /nfs/dbraw/zinc/04/32/96/626043296.db2.gz HNWHPHWXCNIYDN-FZMZJTMJSA-N -1 3 291.307 1.677 20 5 CDBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590312485 1173348313 /nfs/dbraw/zinc/34/83/13/1173348313.db2.gz OGFMGJSJAQWOJR-HTQZYQBOSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590312485 1173348320 /nfs/dbraw/zinc/34/83/20/1173348320.db2.gz OGFMGJSJAQWOJR-HTQZYQBOSA-N -1 3 274.284 1.620 20 5 CDBDHM CC[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])OC ZINC001590445611 1173410539 /nfs/dbraw/zinc/41/05/39/1173410539.db2.gz GEPMIYGCXRNOHH-VIFPVBQESA-N -1 3 292.299 1.612 20 5 CDBDHM CCCN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590620041 1173478873 /nfs/dbraw/zinc/47/88/73/1173478873.db2.gz PAOYAXLVOSXJLE-UHFFFAOYSA-N -1 3 262.273 1.621 20 5 CDBDHM CCCN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590620041 1173478883 /nfs/dbraw/zinc/47/88/83/1173478883.db2.gz PAOYAXLVOSXJLE-UHFFFAOYSA-N -1 3 262.273 1.621 20 5 CDBDHM Cc1cc(N2CC(F)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592001060 1173769814 /nfs/dbraw/zinc/76/98/14/1173769814.db2.gz NSKMBOMBQJLKJT-UHFFFAOYSA-N -1 3 278.247 1.241 20 5 CDBDHM Cc1cc(N2CC(F)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592001060 1173769819 /nfs/dbraw/zinc/76/98/19/1173769819.db2.gz NSKMBOMBQJLKJT-UHFFFAOYSA-N -1 3 278.247 1.241 20 5 CDBDHM Cn1cc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cn1 ZINC001592574848 1173920992 /nfs/dbraw/zinc/92/09/92/1173920992.db2.gz PKNXURHATSYAKX-UHFFFAOYSA-N -1 3 286.255 1.252 20 5 CDBDHM Cn1cc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cn1 ZINC001592574848 1173920998 /nfs/dbraw/zinc/92/09/98/1173920998.db2.gz PKNXURHATSYAKX-UHFFFAOYSA-N -1 3 286.255 1.252 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CC[C@@H]2C[C@@H]21 ZINC001593476580 1174081516 /nfs/dbraw/zinc/08/15/16/1174081516.db2.gz YSKLKDZWOZGZLZ-XCBNKYQSSA-N -1 3 272.268 1.374 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CC[C@@H]2C[C@@H]21 ZINC001593476580 1174081520 /nfs/dbraw/zinc/08/15/20/1174081520.db2.gz YSKLKDZWOZGZLZ-XCBNKYQSSA-N -1 3 272.268 1.374 20 5 CDBDHM C[C@H]1COC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603946122 1175694610 /nfs/dbraw/zinc/69/46/10/1175694610.db2.gz GMZYMVAOUJGLLX-XVKPBYJWSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@H]1COC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603946122 1175694615 /nfs/dbraw/zinc/69/46/15/1175694615.db2.gz GMZYMVAOUJGLLX-XVKPBYJWSA-N -1 3 290.283 1.222 20 5 CDBDHM COc1ccc(COC(=O)c2cnn[n-]2)cc1[N+](=O)[O-] ZINC000805604935 796455369 /nfs/dbraw/zinc/45/53/69/796455369.db2.gz RXXHVHTWNOIVEB-UHFFFAOYSA-N -1 3 278.224 1.079 20 5 CDBDHM COc1ccc(COC(=O)c2c[n-]nn2)cc1[N+](=O)[O-] ZINC000805604935 796455372 /nfs/dbraw/zinc/45/53/72/796455372.db2.gz RXXHVHTWNOIVEB-UHFFFAOYSA-N -1 3 278.224 1.079 20 5 CDBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000863950285 796814311 /nfs/dbraw/zinc/81/43/11/796814311.db2.gz JIFLNXSMAGBGMY-UHFFFAOYSA-N -1 3 286.291 1.915 20 5 CDBDHM CC(C)C(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001059153472 797724557 /nfs/dbraw/zinc/72/45/57/797724557.db2.gz QHXXLQHTDDIQSM-KYZUINATSA-N -1 3 294.311 1.411 20 5 CDBDHM COC(=O)[C@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001117740808 922054233 /nfs/dbraw/zinc/05/42/33/922054233.db2.gz FCHHHOKVEYUSML-NWDGAFQWSA-N -1 3 294.307 1.732 20 5 CDBDHM CC(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001065048096 924123067 /nfs/dbraw/zinc/12/30/67/924123067.db2.gz PJVZABAFNFGILT-UHFFFAOYSA-N -1 3 294.311 1.190 20 5 CDBDHM Cn1cnc2c1ncnc2Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819293 925855761 /nfs/dbraw/zinc/85/57/61/925855761.db2.gz OPYZQVRGWRKRTG-UHFFFAOYSA-N -1 3 286.251 1.721 20 5 CDBDHM CCO[N-]C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000078595687 934575618 /nfs/dbraw/zinc/57/56/18/934575618.db2.gz CRNUMGKSSFPAKS-UHFFFAOYSA-N -1 3 277.236 1.118 20 5 CDBDHM O=c1[n-]ccc(N2CCC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000718988203 934838881 /nfs/dbraw/zinc/83/88/81/934838881.db2.gz KYBBBNOWWSNYQN-SECBINFHSA-N -1 3 295.295 1.285 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1Nc1cnc(C)[n-]c1=O ZINC001162297503 938973215 /nfs/dbraw/zinc/97/32/15/938973215.db2.gz DIVFZGPTYXNSRZ-VIFPVBQESA-N -1 3 261.241 1.108 20 5 CDBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCc2nccn2C1 ZINC001225664727 941897083 /nfs/dbraw/zinc/89/70/83/941897083.db2.gz SAWODVXEHVPTBV-MRVPVSSYSA-N -1 3 276.252 1.286 20 5 CDBDHM O=c1cc[n-]c(O[C@@H]2CCc3nccn3C2)c1[N+](=O)[O-] ZINC001225664727 941897084 /nfs/dbraw/zinc/89/70/84/941897084.db2.gz SAWODVXEHVPTBV-MRVPVSSYSA-N -1 3 276.252 1.286 20 5 CDBDHM CO[C@@H](C)CO[C@H](C)COc1nccc([O-])c1[N+](=O)[O-] ZINC001225664921 941897490 /nfs/dbraw/zinc/89/74/90/941897490.db2.gz ULQHEEYQTRZYHB-DTWKUNHWSA-N -1 3 286.284 1.514 20 5 CDBDHM Cc1c(=O)[n-]cnc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001226072091 941947840 /nfs/dbraw/zinc/94/78/40/941947840.db2.gz YDFARUVSGKTEFH-LBPRGKRZSA-N -1 3 287.275 1.945 20 5 CDBDHM O=C1C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CO1 ZINC001227747352 942217739 /nfs/dbraw/zinc/21/77/39/942217739.db2.gz ZWOKRHXEPHNIJB-ZETCQYMHSA-N -1 3 263.209 1.165 20 5 CDBDHM O=C1C[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CO1 ZINC001227747352 942217746 /nfs/dbraw/zinc/21/77/46/942217746.db2.gz ZWOKRHXEPHNIJB-ZETCQYMHSA-N -1 3 263.209 1.165 20 5 CDBDHM CCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(=O)[O-] ZINC001589736581 950544301 /nfs/dbraw/zinc/54/43/01/950544301.db2.gz CKRGFFUDLYCTBD-VIFPVBQESA-N -1 3 282.296 1.898 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000533124287 282091340 /nfs/dbraw/zinc/09/13/40/282091340.db2.gz UGMKYJNZFVQQEI-SNVBAGLBSA-N -1 3 276.296 1.827 20 5 CDBDHM O=C([N-]c1ncc(CCO)s1)c1ccc([N+](=O)[O-])o1 ZINC000588874017 342223583 /nfs/dbraw/zinc/22/35/83/342223583.db2.gz ZRSMXSDJHYBJAN-UHFFFAOYSA-N -1 3 283.265 1.431 20 5 CDBDHM O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])NC1CCCCC1 ZINC000596118035 343232209 /nfs/dbraw/zinc/23/22/09/343232209.db2.gz MRHXCAUEHMXEAU-UHFFFAOYSA-N -1 3 294.311 1.556 20 5 CDBDHM COC(=O)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(C)C ZINC000596148040 343244642 /nfs/dbraw/zinc/24/46/42/343244642.db2.gz YOBCPPLLGQMFNS-VIFPVBQESA-N -1 3 297.311 1.943 20 5 CDBDHM O=c1[n-]ccc(N2CC(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000596160205 343255581 /nfs/dbraw/zinc/25/55/81/343255581.db2.gz AUBHLDWFZLHWRW-UHFFFAOYSA-N -1 3 263.175 1.694 20 5 CDBDHM C[C@@H](C[C@H]1CCOC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596161329 343256023 /nfs/dbraw/zinc/25/60/23/343256023.db2.gz UVYIGBJRPRFMPS-DTWKUNHWSA-N -1 3 267.285 1.922 20 5 CDBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000596229732 343272992 /nfs/dbraw/zinc/27/29/92/343272992.db2.gz FCQBPEHCPRRIOK-MRVPVSSYSA-N -1 3 253.258 1.311 20 5 CDBDHM CN1CC2(C1)CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C2 ZINC000597572269 343574621 /nfs/dbraw/zinc/57/46/21/343574621.db2.gz NHIFNSHDIRUWRM-UHFFFAOYSA-N -1 3 291.307 1.078 20 5 CDBDHM CS[C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000157974875 188351039 /nfs/dbraw/zinc/35/10/39/188351039.db2.gz CFOAGPMHOWQLPZ-MRVPVSSYSA-N -1 3 290.366 1.625 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc[nH]2)c(F)c1 ZINC000072713881 357889206 /nfs/dbraw/zinc/88/92/06/357889206.db2.gz GSSHFYHQEZNXPO-UHFFFAOYSA-N -1 3 299.283 1.541 20 5 CDBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1F)c1nnn[n-]1 ZINC000095154284 358084656 /nfs/dbraw/zinc/08/46/56/358084656.db2.gz STGYMWJBXZNIIH-SSDOTTSWSA-N -1 3 280.263 1.487 20 5 CDBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC000095154284 358084660 /nfs/dbraw/zinc/08/46/60/358084660.db2.gz STGYMWJBXZNIIH-SSDOTTSWSA-N -1 3 280.263 1.487 20 5 CDBDHM CN1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C[C@@H]21 ZINC000590776520 358517012 /nfs/dbraw/zinc/51/70/12/358517012.db2.gz KLIJFLBRGHZLEY-SKDRFNHKSA-N -1 3 291.307 1.077 20 5 CDBDHM CC(C)[C@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339081078 359285590 /nfs/dbraw/zinc/28/55/90/359285590.db2.gz IDXBYRRGYLOVCG-NSHDSACASA-N -1 3 254.286 1.407 20 5 CDBDHM CC(C)(C)[C@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339081577 359286015 /nfs/dbraw/zinc/28/60/15/359286015.db2.gz MYKJTAZTBFGHIP-LBPRGKRZSA-N -1 3 268.313 1.797 20 5 CDBDHM C[C@@H](N)[C@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420268451 296025833 /nfs/dbraw/zinc/02/58/33/296025833.db2.gz SDMMNSFVEQPBHQ-SFYZADRCSA-N -1 3 277.284 1.214 20 5 CDBDHM COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)C(=O)[O-] ZINC000581494172 363996725 /nfs/dbraw/zinc/99/67/25/363996725.db2.gz ZOKMMGANRWAWOD-QMMMGPOBSA-N -1 3 268.269 1.508 20 5 CDBDHM COC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000122718220 367725745 /nfs/dbraw/zinc/72/57/45/367725745.db2.gz GXZHOKJFNZSTMO-ZCFIWIBFSA-N -1 3 294.354 1.278 20 5 CDBDHM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000272525160 367749750 /nfs/dbraw/zinc/74/97/50/367749750.db2.gz LSTWWWDRCONSEU-LLVKDONJSA-N -1 3 293.323 1.467 20 5 CDBDHM COCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000048554602 372870255 /nfs/dbraw/zinc/87/02/55/372870255.db2.gz LFKSWUHREYYEEQ-UHFFFAOYSA-N -1 3 288.325 1.136 20 5 CDBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1[O-] ZINC000194949707 372925356 /nfs/dbraw/zinc/92/53/56/372925356.db2.gz PBCICVLJJMLBFG-UHFFFAOYSA-N -1 3 288.259 1.936 20 5 CDBDHM Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1cccc([O-])c1 ZINC000350600890 375217738 /nfs/dbraw/zinc/21/77/38/375217738.db2.gz SLCDVSOCPKVIIQ-UHFFFAOYSA-N -1 3 297.292 1.008 20 5 CDBDHM O=C(CNc1ccccc1[N+](=O)[O-])Nc1ncccc1[O-] ZINC000194227686 375919354 /nfs/dbraw/zinc/91/93/54/375919354.db2.gz MTJTUECZEKRYLF-UHFFFAOYSA-N -1 3 288.263 1.746 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)C(=O)[O-] ZINC000054069943 376504018 /nfs/dbraw/zinc/50/40/18/376504018.db2.gz FZZUIOIMLLPTBS-MRVPVSSYSA-N -1 3 268.269 1.508 20 5 CDBDHM C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCN1C ZINC000345325920 377935356 /nfs/dbraw/zinc/93/53/56/377935356.db2.gz SCAOVWJEZIKNHP-MWLCHTKSSA-N -1 3 293.323 1.513 20 5 CDBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OCC(F)F ZINC000492562861 253246140 /nfs/dbraw/zinc/24/61/40/253246140.db2.gz LZXBAMRDTMFIAV-PLNGDYQASA-N -1 3 272.207 1.921 20 5 CDBDHM COc1cc(CNC[C@@H](C)OC)c([N+](=O)[O-])cc1[O-] ZINC000191153121 130190623 /nfs/dbraw/zinc/19/06/23/130190623.db2.gz JPLKBYHUXMHOTL-MRVPVSSYSA-N -1 3 270.285 1.434 20 5 CDBDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077607534 392881855 /nfs/dbraw/zinc/88/18/55/392881855.db2.gz OVWBWSNCGUOHQP-SSDOTTSWSA-N -1 3 292.288 1.047 20 5 CDBDHM CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000037064494 172927183 /nfs/dbraw/zinc/92/71/83/172927183.db2.gz HYLZZCLPAJTKFD-UHFFFAOYSA-N -1 3 258.299 1.510 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000525704043 260931622 /nfs/dbraw/zinc/93/16/22/260931622.db2.gz WUOOUCHPSLFPMO-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM CCN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000339192027 279363801 /nfs/dbraw/zinc/36/38/01/279363801.db2.gz IELNBZBPNVETEA-NSHDSACASA-N -1 3 279.340 1.826 20 5 CDBDHM Cc1nc(N2CCc3nc[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC000269706851 281942343 /nfs/dbraw/zinc/94/23/43/281942343.db2.gz MELHHSGRROWGSL-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM Cc1nn(Cc2n[n-]c(=O)s2)c(C)c1[N+](=O)[O-] ZINC000562291524 293129105 /nfs/dbraw/zinc/12/91/05/293129105.db2.gz OIMVOYWVLMUDKK-UHFFFAOYSA-N -1 3 255.259 1.014 20 5 CDBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1c([O-])cccc1Cl ZINC000574845863 295063185 /nfs/dbraw/zinc/06/31/85/295063185.db2.gz BUIQOXDYPHNAQI-UHFFFAOYSA-N -1 3 296.670 1.789 20 5 CDBDHM Cc1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000345388153 302819880 /nfs/dbraw/zinc/81/98/80/302819880.db2.gz BFZIMHNVEPJIDF-UHFFFAOYSA-N -1 3 295.686 1.937 20 5 CDBDHM Cc1ccnc(N2CCc3c(nc[n-]c3=O)C2)c1[N+](=O)[O-] ZINC000577417449 317329142 /nfs/dbraw/zinc/32/91/42/317329142.db2.gz PMDMOFHKYBPOTF-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1[O-] ZINC000049446917 527089036 /nfs/dbraw/zinc/08/90/36/527089036.db2.gz XLPGOHAFGQLPLN-UHFFFAOYSA-N -1 3 276.252 1.444 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1cccc(F)c1[N+](=O)[O-])CC2 ZINC000750567464 574603179 /nfs/dbraw/zinc/60/31/79/574603179.db2.gz QENPYBKLCARKGM-UHFFFAOYSA-N -1 3 290.254 1.792 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1C ZINC000755284331 575119732 /nfs/dbraw/zinc/11/97/32/575119732.db2.gz ABKZUOVJFJMXST-UHFFFAOYSA-N -1 3 297.292 1.702 20 5 CDBDHM COc1cccc(C(=O)[N-]OC2CCOCC2)c1[N+](=O)[O-] ZINC000768215717 576265170 /nfs/dbraw/zinc/26/51/70/576265170.db2.gz IZWPHRJIQMOHKN-UHFFFAOYSA-N -1 3 296.279 1.444 20 5 CDBDHM O=C([N-]c1ccon1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000755752675 576958906 /nfs/dbraw/zinc/95/89/06/576958906.db2.gz KDCDBAJYYDULQI-UHFFFAOYSA-N -1 3 291.219 1.606 20 5 CDBDHM COc1c([O-])ccc(CN2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000891541755 617466457 /nfs/dbraw/zinc/46/64/57/617466457.db2.gz HJZJMBLBQCQOOO-VIFPVBQESA-N -1 3 282.296 1.530 20 5 CDBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1cn(C)nc1[N+](=O)[O-] ZINC001604961548 1163400563 /nfs/dbraw/zinc/40/05/63/1163400563.db2.gz VQTIDGOKVPWBJI-MRVPVSSYSA-N -1 3 270.289 1.013 20 5 CDBDHM COCCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605087936 1163446233 /nfs/dbraw/zinc/44/62/33/1163446233.db2.gz RHDSFWQBQVSTPI-UHFFFAOYSA-N -1 3 292.299 1.613 20 5 CDBDHM COCCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605087936 1163446237 /nfs/dbraw/zinc/44/62/37/1163446237.db2.gz RHDSFWQBQVSTPI-UHFFFAOYSA-N -1 3 292.299 1.613 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@H](F)C1 ZINC001607082831 1164071037 /nfs/dbraw/zinc/07/10/37/1164071037.db2.gz UPUCSQOZXDTSNT-SECBINFHSA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@H](F)C1 ZINC001607082831 1164071046 /nfs/dbraw/zinc/07/10/46/1164071046.db2.gz UPUCSQOZXDTSNT-SECBINFHSA-N -1 3 292.274 1.713 20 5 CDBDHM CC(=O)Nc1cccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)c1 ZINC000794622333 1164527909 /nfs/dbraw/zinc/52/79/09/1164527909.db2.gz YLGBCBNTHAPPSD-UHFFFAOYSA-N -1 3 290.235 1.496 20 5 CDBDHM C[C@@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590239974 1173310689 /nfs/dbraw/zinc/31/06/89/1173310689.db2.gz OOUXCZQGTBRYOQ-APPZFPTMSA-N -1 3 289.299 1.770 20 5 CDBDHM C[C@@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590239974 1173310698 /nfs/dbraw/zinc/31/06/98/1173310698.db2.gz OOUXCZQGTBRYOQ-APPZFPTMSA-N -1 3 289.299 1.770 20 5 CDBDHM O=[N+]([O-])c1cccnc1NCc1cccc(-c2nnn[n-]2)c1 ZINC001593487533 1174083347 /nfs/dbraw/zinc/08/33/47/1174083347.db2.gz ZSXBVQOKCPENCV-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1cccnc1NCc1cccc(-c2nn[n-]n2)c1 ZINC001593487533 1174083354 /nfs/dbraw/zinc/08/33/54/1174083354.db2.gz ZSXBVQOKCPENCV-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ncccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC001593487545 1174083939 /nfs/dbraw/zinc/08/39/39/1174083939.db2.gz HHTCUMLOZGOHHV-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM O=[N+]([O-])c1ncccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC001593487545 1174083947 /nfs/dbraw/zinc/08/39/47/1174083947.db2.gz HHTCUMLOZGOHHV-UHFFFAOYSA-N -1 3 298.262 1.749 20 5 CDBDHM C[C@@H](OC(=O)c1cnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000805605203 805203324 /nfs/dbraw/zinc/20/33/24/805203324.db2.gz GNONGIUTWCNBRU-SSDOTTSWSA-N -1 3 262.225 1.631 20 5 CDBDHM C[C@@H](OC(=O)c1c[n-]nn1)c1ccccc1[N+](=O)[O-] ZINC000805605203 805203336 /nfs/dbraw/zinc/20/33/36/805203336.db2.gz GNONGIUTWCNBRU-SSDOTTSWSA-N -1 3 262.225 1.631 20 5 CDBDHM Nc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000823962470 811498359 /nfs/dbraw/zinc/49/83/59/811498359.db2.gz RXBKBSASHSFQIP-LLVKDONJSA-N -1 3 296.283 1.757 20 5 CDBDHM Nc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000823962470 811498377 /nfs/dbraw/zinc/49/83/77/811498377.db2.gz RXBKBSASHSFQIP-LLVKDONJSA-N -1 3 296.283 1.757 20 5 CDBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC000853331177 811874739 /nfs/dbraw/zinc/87/47/39/811874739.db2.gz JZCBMNRIKJEETR-ZCFIWIBFSA-N -1 3 281.190 1.685 20 5 CDBDHM COCOCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000717638605 812004450 /nfs/dbraw/zinc/00/44/50/812004450.db2.gz ULKYRFDKMTXJPF-UHFFFAOYSA-N -1 3 257.246 1.118 20 5 CDBDHM Cc1[nH]nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1Cl ZINC000790977923 812863829 /nfs/dbraw/zinc/86/38/29/812863829.db2.gz KYOZAPIWEQHTGL-UHFFFAOYSA-N -1 3 297.658 1.633 20 5 CDBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)CF ZINC000885409259 812881179 /nfs/dbraw/zinc/88/11/79/812881179.db2.gz OGBFFUJIDCHLIJ-ZETCQYMHSA-N -1 3 292.288 1.240 20 5 CDBDHM COC(=O)c1cc(C(=O)OCC(C)(C)[N+](=O)[O-])c[n-]1 ZINC000851129559 816906393 /nfs/dbraw/zinc/90/63/93/816906393.db2.gz PLZGLWVCPQHKNA-UHFFFAOYSA-N -1 3 270.241 1.013 20 5 CDBDHM NC(=O)c1ccc(F)nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819056 925855186 /nfs/dbraw/zinc/85/51/86/925855186.db2.gz KAXYBGSHZWFJFO-UHFFFAOYSA-N -1 3 292.226 1.677 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@@H]2CCO2)c2[n-]cnc21 ZINC001227693080 942205899 /nfs/dbraw/zinc/20/58/99/942205899.db2.gz KHNZSCNQXZQHPA-LURJTMIESA-N -1 3 250.214 1.034 20 5 CDBDHM CC1=C[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC(=O)O1 ZINC001227693265 942205969 /nfs/dbraw/zinc/20/59/69/942205969.db2.gz QNZIRNZVRMESBO-SSDOTTSWSA-N -1 3 290.235 1.464 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2C=C(C)OC(=O)C2)c1[N+](=O)[O-] ZINC001228686157 942357724 /nfs/dbraw/zinc/35/77/24/942357724.db2.gz LWOUQKZWISLYAE-QMMMGPOBSA-N -1 3 280.236 1.602 20 5 CDBDHM CCN1CC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])C1 ZINC001231071874 942774911 /nfs/dbraw/zinc/77/49/11/942774911.db2.gz NXWQBUFTAVEXJS-LURJTMIESA-N -1 3 288.691 1.217 20 5 CDBDHM CC(C)(CC(N)=O)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001590654916 990349572 /nfs/dbraw/zinc/34/95/72/990349572.db2.gz YVVZGAONGHYKRO-UHFFFAOYSA-N -1 3 295.295 1.037 20 5 CDBDHM CS[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605367583 1163534358 /nfs/dbraw/zinc/53/43/58/1163534358.db2.gz FPKYMJTXAZCZSA-ZCFIWIBFSA-N -1 3 295.328 1.333 20 5 CDBDHM CS[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605367583 1163534362 /nfs/dbraw/zinc/53/43/62/1163534362.db2.gz FPKYMJTXAZCZSA-ZCFIWIBFSA-N -1 3 295.328 1.333 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000533070493 282080819 /nfs/dbraw/zinc/08/08/19/282080819.db2.gz NCEAYKKXROFVLE-QMMMGPOBSA-N -1 3 298.249 1.797 20 5 CDBDHM CCOC(=O)c1ncc(NC(=O)c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000617873949 342525015 /nfs/dbraw/zinc/52/50/15/342525015.db2.gz UFQFWVAEIYZQOD-UHFFFAOYSA-N -1 3 294.223 1.340 20 5 CDBDHM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])o2)c[n-]1 ZINC000617873949 342525016 /nfs/dbraw/zinc/52/50/16/342525016.db2.gz UFQFWVAEIYZQOD-UHFFFAOYSA-N -1 3 294.223 1.340 20 5 CDBDHM Cc1[nH]nc(C(=O)Nc2cc(C)ccc2[O-])c1[N+](=O)[O-] ZINC000436815093 361745655 /nfs/dbraw/zinc/74/56/55/361745655.db2.gz UNLZELWMWBQKAV-UHFFFAOYSA-N -1 3 276.252 1.893 20 5 CDBDHM CCOC(=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596136381 343240114 /nfs/dbraw/zinc/24/01/14/343240114.db2.gz TZDOZAFHZYYGBQ-UHFFFAOYSA-N -1 3 295.295 1.841 20 5 CDBDHM COCCOC[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596139472 343241294 /nfs/dbraw/zinc/24/12/94/343241294.db2.gz BMGZCVDSPNXTOZ-JTQLQIEISA-N -1 3 297.311 1.185 20 5 CDBDHM O=c1[n-]ccc(NCCOC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000596121459 343248258 /nfs/dbraw/zinc/24/82/58/343248258.db2.gz OWDRJIGUWABXIT-SECBINFHSA-N -1 3 283.284 1.160 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CCc3c[nH]nc3C2)c1[N+](=O)[O-] ZINC000596160196 343255469 /nfs/dbraw/zinc/25/54/69/343255469.db2.gz ASBSXDNDLILWRF-MRVPVSSYSA-N -1 3 275.268 1.388 20 5 CDBDHM C[C@H](CO)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596176752 343261323 /nfs/dbraw/zinc/26/13/23/343261323.db2.gz DLCHVSVXKFQACM-QMMMGPOBSA-N -1 3 255.274 1.516 20 5 CDBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCCCC1=O ZINC000596203265 343264494 /nfs/dbraw/zinc/26/44/94/343264494.db2.gz DFQWBKYBOHADTC-VIFPVBQESA-N -1 3 294.311 1.508 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)S1=O ZINC000596205655 343265631 /nfs/dbraw/zinc/26/56/31/343265631.db2.gz CUKOVTTVGLBFQK-YUMQZZPRSA-N -1 3 285.325 1.041 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000596217343 343269087 /nfs/dbraw/zinc/26/90/87/343269087.db2.gz JQNROYGRNVRJFI-ZANVPECISA-N -1 3 295.295 1.080 20 5 CDBDHM CC[C@@](C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596253600 343275167 /nfs/dbraw/zinc/27/51/67/343275167.db2.gz CAANHTMNYHPSBV-NSHDSACASA-N -1 3 255.274 1.922 20 5 CDBDHM Cc1[nH]nc(C(=O)Nc2ccc(C)cc2[O-])c1[N+](=O)[O-] ZINC000064354306 348939030 /nfs/dbraw/zinc/93/90/30/348939030.db2.gz WEKVKCVOPNZGCR-UHFFFAOYSA-N -1 3 276.252 1.893 20 5 CDBDHM CN(C)C/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271285731 191050776 /nfs/dbraw/zinc/05/07/76/191050776.db2.gz AXAJQGQJOXAETD-ONEGZZNKSA-N -1 3 265.269 1.357 20 5 CDBDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000107401648 186173041 /nfs/dbraw/zinc/17/30/41/186173041.db2.gz NTXNWRKDLXTGER-SECBINFHSA-N -1 3 288.325 1.298 20 5 CDBDHM CC(C)[C@H](CO)O[N-]C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493430255 356267948 /nfs/dbraw/zinc/26/79/48/356267948.db2.gz ILPXCZJPVWOFFQ-YBJDMEARSA-N -1 3 294.307 1.673 20 5 CDBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])nn2C)s1 ZINC000360542462 357435372 /nfs/dbraw/zinc/43/53/72/357435372.db2.gz JGOBZBJYCHFEOX-UHFFFAOYSA-N -1 3 296.312 1.385 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000337805434 358354759 /nfs/dbraw/zinc/35/47/59/358354759.db2.gz KIOFINICTIPWER-SECBINFHSA-N -1 3 284.337 1.980 20 5 CDBDHM Cc1nc(NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000359908445 368010473 /nfs/dbraw/zinc/01/04/73/368010473.db2.gz XJVURUOBWHLMJB-UHFFFAOYSA-N -1 3 260.253 1.433 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]CC2CC2)cc1[N+](=O)[O-] ZINC000122974144 373711994 /nfs/dbraw/zinc/71/19/94/373711994.db2.gz QBHQJDVJNXKHHD-UHFFFAOYSA-N -1 3 276.339 1.653 20 5 CDBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OCC1CC1 ZINC000293861063 375222622 /nfs/dbraw/zinc/22/26/22/375222622.db2.gz VXDAEVWVBVOTCZ-UHFFFAOYSA-N -1 3 250.254 1.595 20 5 CDBDHM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351071339 375268792 /nfs/dbraw/zinc/26/87/92/375268792.db2.gz CYIFIHBFCWVINF-UHFFFAOYSA-N -1 3 277.240 1.429 20 5 CDBDHM CC[C@H](C)n1[nH]c(=NC(=O)c2cc([N+](=O)[O-])[n-]n2)cc1C ZINC000354539439 375724314 /nfs/dbraw/zinc/72/43/14/375724314.db2.gz MRBTWPASRSNZIW-ZETCQYMHSA-N -1 3 292.299 1.468 20 5 CDBDHM CC[C@H](C)n1[nH]c(=NC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1C ZINC000354539439 375724317 /nfs/dbraw/zinc/72/43/17/375724317.db2.gz MRBTWPASRSNZIW-ZETCQYMHSA-N -1 3 292.299 1.468 20 5 CDBDHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000048659567 390452888 /nfs/dbraw/zinc/45/28/88/390452888.db2.gz JPEQVZJCCGULIP-SSDOTTSWSA-N -1 3 276.289 1.811 20 5 CDBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000451623172 390635153 /nfs/dbraw/zinc/63/51/53/390635153.db2.gz IOQWUBVXDLKZII-SECBINFHSA-N -1 3 294.279 1.917 20 5 CDBDHM C[C@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC000517159803 390968463 /nfs/dbraw/zinc/96/84/63/390968463.db2.gz ZOOZFUFEQARUTI-MRVPVSSYSA-N -1 3 293.279 1.889 20 5 CDBDHM C[C@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000517216483 390968606 /nfs/dbraw/zinc/96/86/06/390968606.db2.gz QMBFLPFRMVROOP-JTQLQIEISA-N -1 3 293.323 1.372 20 5 CDBDHM O=C([N-]OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000191796086 130305349 /nfs/dbraw/zinc/30/53/49/130305349.db2.gz KISJTHIYQBKMTR-MRVPVSSYSA-N -1 3 284.243 1.432 20 5 CDBDHM CCCN(CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000038021806 391934947 /nfs/dbraw/zinc/93/49/47/391934947.db2.gz FOOFARUGFAERPV-UHFFFAOYSA-N -1 3 252.270 1.891 20 5 CDBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)n1 ZINC000194828408 392935781 /nfs/dbraw/zinc/93/57/81/392935781.db2.gz ZHQQNRBPCSWJAR-UHFFFAOYSA-N -1 3 288.263 1.960 20 5 CDBDHM Cc1cc(OCC(=O)[N-]C2=NCCS2)ccc1[N+](=O)[O-] ZINC000281971898 393165332 /nfs/dbraw/zinc/16/53/32/393165332.db2.gz LTZWDWDASZZNSG-UHFFFAOYSA-N -1 3 295.320 1.501 20 5 CDBDHM C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C ZINC000231677247 140217660 /nfs/dbraw/zinc/21/76/60/140217660.db2.gz DDBCZSOFWFNCRK-KOLCDFICSA-N -1 3 293.323 1.513 20 5 CDBDHM CCC[C@](C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000233361702 140225738 /nfs/dbraw/zinc/22/57/38/140225738.db2.gz HNHOMNQPUZSJQX-LBPRGKRZSA-N -1 3 267.285 1.756 20 5 CDBDHM COc1cc(CN[C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000189338915 270276687 /nfs/dbraw/zinc/27/66/87/270276687.db2.gz DIWSEUCUDKLDRU-QWHCGFSZSA-N -1 3 296.323 1.558 20 5 CDBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000567773825 293867665 /nfs/dbraw/zinc/86/76/65/293867665.db2.gz OFIPHGOAUCNUPQ-BDAKNGLRSA-N -1 3 286.309 1.051 20 5 CDBDHM CSC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591696023 1173683633 /nfs/dbraw/zinc/68/36/33/1173683633.db2.gz OZIUUNUKFPUEKW-SSDOTTSWSA-N -1 3 294.340 1.938 20 5 CDBDHM O=C([O-])CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444670 527593015 /nfs/dbraw/zinc/59/30/15/527593015.db2.gz FDNDYQMVXKMIMX-UHFFFAOYSA-N -1 3 258.661 1.813 20 5 CDBDHM COc1ccc(NC([O-])=NOCC(F)F)cc1[N+](=O)[O-] ZINC000760030779 576453583 /nfs/dbraw/zinc/45/35/83/576453583.db2.gz LJRONZFHUJCANM-UHFFFAOYSA-N -1 3 291.210 1.922 20 5 CDBDHM COc1ccc(NC(=O)[N-]OCC(F)F)cc1[N+](=O)[O-] ZINC000760030779 576453584 /nfs/dbraw/zinc/45/35/84/576453584.db2.gz LJRONZFHUJCANM-UHFFFAOYSA-N -1 3 291.210 1.922 20 5 CDBDHM O=C([N-]OCC(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000760141369 576460681 /nfs/dbraw/zinc/46/06/81/576460681.db2.gz MCYKCUCSMIFNRU-UHFFFAOYSA-N -1 3 291.166 1.430 20 5 CDBDHM O=C([O-])CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167683 577033241 /nfs/dbraw/zinc/03/32/41/577033241.db2.gz JCWWMPGGLTZESI-UHFFFAOYSA-N -1 3 250.254 1.428 20 5 CDBDHM O=C([O-])CC1(NCc2cccnc2[N+](=O)[O-])CCC1 ZINC001601936158 1175073312 /nfs/dbraw/zinc/07/33/12/1175073312.db2.gz POUCHCYYAKOWTL-UHFFFAOYSA-N -1 3 265.269 1.477 20 5 CDBDHM COC[C@](C)(CC(=O)[O-])NCc1ccccc1[N+](=O)[O-] ZINC000831585166 601136491 /nfs/dbraw/zinc/13/64/91/601136491.db2.gz KSUKVBGQHKUYAY-ZDUSSCGKSA-N -1 3 282.296 1.564 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC(C(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823639811 607226132 /nfs/dbraw/zinc/22/61/32/607226132.db2.gz HPFCJXDYXNNXAJ-UHFFFAOYSA-N -1 3 296.237 1.476 20 5 CDBDHM O=[N+]([O-])c1ccc(N2CC(C(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823639811 607226133 /nfs/dbraw/zinc/22/61/33/607226133.db2.gz HPFCJXDYXNNXAJ-UHFFFAOYSA-N -1 3 296.237 1.476 20 5 CDBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC000824961702 607842631 /nfs/dbraw/zinc/84/26/31/607842631.db2.gz GVAIDKAREFBRRC-MRVPVSSYSA-N -1 3 274.284 1.621 20 5 CDBDHM C[C@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170573828 1162974552 /nfs/dbraw/zinc/97/45/52/1162974552.db2.gz KZSSNBKRYXQYNK-QPUJVOFHSA-N -1 3 295.295 1.082 20 5 CDBDHM CO[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001605153259 1163470646 /nfs/dbraw/zinc/47/06/46/1163470646.db2.gz CCLKZYDRGFTKEO-ZKCHVHJHSA-N -1 3 290.283 1.364 20 5 CDBDHM CO[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001605153259 1163470650 /nfs/dbraw/zinc/47/06/50/1163470650.db2.gz CCLKZYDRGFTKEO-ZKCHVHJHSA-N -1 3 290.283 1.364 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S[C@@H]1CCOC1 ZINC001607080768 1164070786 /nfs/dbraw/zinc/07/07/86/1164070786.db2.gz NQJDNHWUUUPCQG-MRVPVSSYSA-N -1 3 293.308 1.656 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S[C@@H]1CCOC1 ZINC001607080768 1164070793 /nfs/dbraw/zinc/07/07/93/1164070793.db2.gz NQJDNHWUUUPCQG-MRVPVSSYSA-N -1 3 293.308 1.656 20 5 CDBDHM O=C([O-])[C@H]1[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001608817092 1164648972 /nfs/dbraw/zinc/64/89/72/1164648972.db2.gz YGYZKZMPEZEUJU-GDNZZTSVSA-N -1 3 262.265 1.357 20 5 CDBDHM O=[N+]([O-])c1ccc(Oc2ccccc2-c2nnn[n-]2)cn1 ZINC001609602536 1165002556 /nfs/dbraw/zinc/00/25/56/1165002556.db2.gz SSNZLERZKHXJPK-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM O=[N+]([O-])c1ccc(Oc2ccccc2-c2nn[n-]n2)cn1 ZINC001609602536 1165002563 /nfs/dbraw/zinc/00/25/63/1165002563.db2.gz SSNZLERZKHXJPK-UHFFFAOYSA-N -1 3 284.235 1.962 20 5 CDBDHM C[C@@H](CCO)Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589834778 1173189706 /nfs/dbraw/zinc/18/97/06/1173189706.db2.gz KHVRDTNIXPZEHL-ZETCQYMHSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@@H](CCO)Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589834778 1173189707 /nfs/dbraw/zinc/18/97/07/1173189707.db2.gz KHVRDTNIXPZEHL-ZETCQYMHSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@@H]1C[C@@H]1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590222991 1173303026 /nfs/dbraw/zinc/30/30/26/1173303026.db2.gz YJGDKHLUKDGBCN-HTQZYQBOSA-N -1 3 274.284 1.843 20 5 CDBDHM C[C@@H]1C[C@@H]1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590222991 1173303033 /nfs/dbraw/zinc/30/30/33/1173303033.db2.gz YJGDKHLUKDGBCN-HTQZYQBOSA-N -1 3 274.284 1.843 20 5 CDBDHM CCC1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590523708 1173453367 /nfs/dbraw/zinc/45/33/67/1173453367.db2.gz KQZCFAUAFWJOMA-UHFFFAOYSA-N -1 3 275.272 1.016 20 5 CDBDHM CCC1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590523708 1173453372 /nfs/dbraw/zinc/45/33/72/1173453372.db2.gz KQZCFAUAFWJOMA-UHFFFAOYSA-N -1 3 275.272 1.016 20 5 CDBDHM CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001591474678 1173660472 /nfs/dbraw/zinc/66/04/72/1173660472.db2.gz NUDCCDHBVLKMIL-XWEPSHTISA-N -1 3 290.283 1.364 20 5 CDBDHM CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001591474678 1173660476 /nfs/dbraw/zinc/66/04/76/1173660476.db2.gz NUDCCDHBVLKMIL-XWEPSHTISA-N -1 3 290.283 1.364 20 5 CDBDHM Cc1ncc(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001173226939 912322473 /nfs/dbraw/zinc/32/24/73/912322473.db2.gz DUTWHQSMBDPQKG-NOZJJQNGSA-N -1 3 288.307 1.513 20 5 CDBDHM CC(C)C(=O)N(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001101520126 907597563 /nfs/dbraw/zinc/59/75/63/907597563.db2.gz JZBIMYYTVYBFAO-UHFFFAOYSA-N -1 3 282.300 1.222 20 5 CDBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC1(C)OCCO1 ZINC000716014525 910118201 /nfs/dbraw/zinc/11/82/01/910118201.db2.gz JNFADPCFNWBJFE-SECBINFHSA-N -1 3 297.311 1.897 20 5 CDBDHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc2occc2[n-]1 ZINC000786033674 929197067 /nfs/dbraw/zinc/19/70/67/929197067.db2.gz RRWGAPYXBFRBFY-UHFFFAOYSA-N -1 3 290.235 1.723 20 5 CDBDHM CN1CCC(Oc2cccc([O-])c2[N+](=O)[O-])CC1 ZINC001225621111 941889154 /nfs/dbraw/zinc/88/91/54/941889154.db2.gz BZHVVOPYWOAFEP-UHFFFAOYSA-N -1 3 252.270 1.773 20 5 CDBDHM CCN1CC[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621149 941889193 /nfs/dbraw/zinc/88/91/93/941889193.db2.gz CIIWFQUYLPLTDV-VIFPVBQESA-N -1 3 252.270 1.773 20 5 CDBDHM CC1=C[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC(=O)O1 ZINC001227693266 942204964 /nfs/dbraw/zinc/20/49/64/942204964.db2.gz QNZIRNZVRMESBO-ZETCQYMHSA-N -1 3 290.235 1.464 20 5 CDBDHM CC[C@H](COc1ncc([N+](=O)[O-])c2nc[n-]c21)OC ZINC001227691476 942205785 /nfs/dbraw/zinc/20/57/85/942205785.db2.gz OWVLWXOFDNCJPF-SSDOTTSWSA-N -1 3 266.257 1.670 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CO[C@H]4OCC[C@@H]34)[n-]c2c1 ZINC001227745408 942218199 /nfs/dbraw/zinc/21/81/99/942218199.db2.gz MUYMWMIFACCCAP-KPXOXKRLSA-N -1 3 291.263 1.611 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CO[C@H]4OCC[C@@H]34)nc2c1 ZINC001227745408 942218205 /nfs/dbraw/zinc/21/82/05/942218205.db2.gz MUYMWMIFACCCAP-KPXOXKRLSA-N -1 3 291.263 1.611 20 5 CDBDHM CCOC(=O)[C@H]1C[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C1 ZINC001228690304 942358891 /nfs/dbraw/zinc/35/88/91/942358891.db2.gz ZSQQKXSAEHXPNT-DTORHVGOSA-N -1 3 296.279 1.724 20 5 CDBDHM O=[N+]([O-])c1cc2[n-]c(OC[C@H]3COCO3)nc2cc1Cl ZINC001233499143 943601600 /nfs/dbraw/zinc/60/16/00/943601600.db2.gz MZMCIGPDCCEUSF-ZCFIWIBFSA-N -1 3 299.670 1.876 20 5 CDBDHM O=[N+]([O-])c1cc2nc(OC[C@H]3COCO3)[n-]c2cc1Cl ZINC001233499143 943601605 /nfs/dbraw/zinc/60/16/05/943601605.db2.gz MZMCIGPDCCEUSF-ZCFIWIBFSA-N -1 3 299.670 1.876 20 5 CDBDHM O=C1C[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CO1 ZINC001233501035 943603183 /nfs/dbraw/zinc/60/31/83/943603183.db2.gz WUURVWGPAFGFDU-YFKPBYRVSA-N -1 3 297.654 1.819 20 5 CDBDHM C[C@H]1[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000719471420 978005566 /nfs/dbraw/zinc/00/55/66/978005566.db2.gz KOPTVEQSMWHZJW-YUMQZZPRSA-N -1 3 280.284 1.193 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1ccccc1[N+](=O)[O-] ZINC000601195119 342488722 /nfs/dbraw/zinc/48/87/22/342488722.db2.gz DPPOUBFDSSNGRF-VIFPVBQESA-N -1 3 262.269 1.519 20 5 CDBDHM CCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601284437 342549038 /nfs/dbraw/zinc/54/90/38/342549038.db2.gz HMWFLISGFRUTGI-UHFFFAOYSA-N -1 3 276.289 1.731 20 5 CDBDHM O=c1[n-]nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)s1 ZINC000593423012 342800479 /nfs/dbraw/zinc/80/04/79/342800479.db2.gz RXGKEWQZRDGZAG-UHFFFAOYSA-N -1 3 267.270 1.274 20 5 CDBDHM C[C@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1C ZINC000166817579 362078727 /nfs/dbraw/zinc/07/87/27/362078727.db2.gz OMIIHPFQQNURKV-DTWKUNHWSA-N -1 3 294.311 1.583 20 5 CDBDHM C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCN1C ZINC000436918728 362124741 /nfs/dbraw/zinc/12/47/41/362124741.db2.gz JSTLVZCHRLITNW-SKDRFNHKSA-N -1 3 293.323 1.513 20 5 CDBDHM CC(C)OC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596066062 343224085 /nfs/dbraw/zinc/22/40/85/343224085.db2.gz CCEYHMMHEYFEAG-UHFFFAOYSA-N -1 3 269.257 1.449 20 5 CDBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596106986 343229170 /nfs/dbraw/zinc/22/91/70/343229170.db2.gz XGORZXCNMSPJGP-MRVPVSSYSA-N -1 3 253.258 1.311 20 5 CDBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)O1 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CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339124870 283405183 /nfs/dbraw/zinc/40/51/83/283405183.db2.gz QJLZGJJOUMWBDP-NEPJUHHUSA-N -1 3 293.323 1.305 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000339084911 359286030 /nfs/dbraw/zinc/28/60/30/359286030.db2.gz RXLXWTBYDKBION-DUFXMDAXSA-N -1 3 278.308 1.503 20 5 CDBDHM Cc1ccc([N-]S(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC000135604044 359758929 /nfs/dbraw/zinc/75/89/29/359758929.db2.gz LVOWDZOGZQYVMV-UHFFFAOYSA-N -1 3 256.283 1.807 20 5 CDBDHM Cc1ccc([C@H](C)NC(=O)c2c[n-]nn2)cc1[N+](=O)[O-] ZINC000177866418 189075332 /nfs/dbraw/zinc/07/53/32/189075332.db2.gz JTVJKJIEMPVXMO-QMMMGPOBSA-N -1 3 275.268 1.512 20 5 CDBDHM Cc1ccc([C@H](C)NC(=O)c2cnn[n-]2)cc1[N+](=O)[O-] ZINC000177866418 189075333 /nfs/dbraw/zinc/07/53/33/189075333.db2.gz JTVJKJIEMPVXMO-QMMMGPOBSA-N -1 3 275.268 1.512 20 5 CDBDHM Cc1ccc([C@H](C)NC(=O)c2cn[n-]n2)cc1[N+](=O)[O-] ZINC000177866418 189075334 /nfs/dbraw/zinc/07/53/34/189075334.db2.gz JTVJKJIEMPVXMO-QMMMGPOBSA-N -1 3 275.268 1.512 20 5 CDBDHM C[C@H](CC(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000580726478 363935387 /nfs/dbraw/zinc/93/53/87/363935387.db2.gz UUAIWLSCVYFJOY-SECBINFHSA-N -1 3 252.270 1.890 20 5 CDBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC2)c(F)c1 ZINC000416507048 242028036 /nfs/dbraw/zinc/02/80/36/242028036.db2.gz LZSOPOQWOLVITJ-UHFFFAOYSA-N -1 3 274.273 1.565 20 5 CDBDHM CN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000013179847 374659711 /nfs/dbraw/zinc/65/97/11/374659711.db2.gz XPFRNZUUQSWBRB-UHFFFAOYSA-N -1 3 279.296 1.435 20 5 CDBDHM O=C(Nc1cc(C2CC2)[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277687595 374801492 /nfs/dbraw/zinc/80/14/92/374801492.db2.gz GGBQOYCSCVSVTK-UHFFFAOYSA-N -1 3 289.251 1.548 20 5 CDBDHM COc1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1[O-] ZINC000352866690 375547320 /nfs/dbraw/zinc/54/73/20/375547320.db2.gz DKCLICXOROUDNM-UHFFFAOYSA-N -1 3 292.251 1.295 20 5 CDBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OC1CCOCC1 ZINC000492643820 253263036 /nfs/dbraw/zinc/26/30/36/253263036.db2.gz HMTZHCNUEXTGHV-WAYWQWQTSA-N -1 3 292.291 1.835 20 5 CDBDHM C[C@H](N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000185817742 391001414 /nfs/dbraw/zinc/00/14/14/391001414.db2.gz QYXRHOICRSMLFX-QMMMGPOBSA-N -1 3 279.296 1.956 20 5 CDBDHM Cc1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2N)n1 ZINC000345943832 153004120 /nfs/dbraw/zinc/00/41/20/153004120.db2.gz QTTKMQKPWCNDBD-UHFFFAOYSA-N -1 3 288.263 1.838 20 5 CDBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C)n2)c1 ZINC000349433441 154114406 /nfs/dbraw/zinc/11/44/06/154114406.db2.gz OAXOLNFSHZNNBQ-UHFFFAOYSA-N -1 3 293.308 1.698 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccno2)c([N+](=O)[O-])c1 ZINC000351927577 154827829 /nfs/dbraw/zinc/82/78/29/154827829.db2.gz RISCZPCLKHIZSB-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM O=C([O-])CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368266 172159751 /nfs/dbraw/zinc/15/97/51/172159751.db2.gz IEPUVSXRALLALQ-UHFFFAOYSA-N -1 3 258.661 1.813 20 5 CDBDHM COc1cc(CNc2ncccn2)c([N+](=O)[O-])cc1[O-] ZINC000187925600 263320643 /nfs/dbraw/zinc/32/06/43/263320643.db2.gz IIQWCYUQWCYJCX-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000573461438 294824363 /nfs/dbraw/zinc/82/43/63/294824363.db2.gz SHXDTFBCDNTGRL-TZMCWYRMSA-N -1 3 278.308 1.958 20 5 CDBDHM CO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000563637804 316349305 /nfs/dbraw/zinc/34/93/05/316349305.db2.gz PKOGHOMMPKLVMW-WCQYABFASA-N -1 3 294.307 1.659 20 5 CDBDHM Cc1cc([N+](=O)[O-])cnc1N1CCc2c(nc[n-]c2=O)C1 ZINC000576665601 317183644 /nfs/dbraw/zinc/18/36/44/317183644.db2.gz UWTQYNVFCJVYLX-UHFFFAOYSA-N -1 3 287.279 1.357 20 5 CDBDHM Cc1cc(C(=O)[N-]N2CCCC2=O)ccc1[N+](=O)[O-] ZINC000770545486 575463645 /nfs/dbraw/zinc/46/36/45/575463645.db2.gz JVGIHFFJYBZITG-UHFFFAOYSA-N -1 3 263.253 1.170 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2cccnc2)c(-c2nnn[n-]2)c1 ZINC000738374276 576064110 /nfs/dbraw/zinc/06/41/10/576064110.db2.gz MGGQONVPEOPGND-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2cccnc2)c(-c2nn[n-]n2)c1 ZINC000738374276 576064112 /nfs/dbraw/zinc/06/41/12/576064112.db2.gz MGGQONVPEOPGND-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM COc1cccc(C(=O)[N-]OCC(C)C)c1[N+](=O)[O-] ZINC000768098946 576256838 /nfs/dbraw/zinc/25/68/38/576256838.db2.gz RECLJVPRRSHKBS-UHFFFAOYSA-N -1 3 268.269 1.921 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CC=CC1 ZINC000823630245 607120136 /nfs/dbraw/zinc/12/01/36/607120136.db2.gz UBEWLQZHZRIBKD-UHFFFAOYSA-N -1 3 272.268 1.905 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CC=CC1 ZINC000823630245 607120138 /nfs/dbraw/zinc/12/01/38/607120138.db2.gz UBEWLQZHZRIBKD-UHFFFAOYSA-N -1 3 272.268 1.905 20 5 CDBDHM O=C([N-]N1CCCC1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000780703748 617773517 /nfs/dbraw/zinc/77/35/17/617773517.db2.gz YMQQPJSNTQZFNI-UHFFFAOYSA-N -1 3 283.671 1.515 20 5 CDBDHM C[C@H](C(=O)[O-])N(Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000903607437 626033266 /nfs/dbraw/zinc/03/32/66/626033266.db2.gz BKDFRRVHAIOMJX-SECBINFHSA-N -1 3 279.296 1.817 20 5 CDBDHM Cn1cc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001606246391 1163825762 /nfs/dbraw/zinc/82/57/62/1163825762.db2.gz PFYXVHZFVAKVIZ-UHFFFAOYSA-N -1 3 287.239 1.301 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N1CCC[C@H](F)C1 ZINC001607082832 1164070420 /nfs/dbraw/zinc/07/04/20/1164070420.db2.gz UPUCSQOZXDTSNT-VIFPVBQESA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H](F)C1 ZINC001607082832 1164070427 /nfs/dbraw/zinc/07/04/27/1164070427.db2.gz UPUCSQOZXDTSNT-VIFPVBQESA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC=CCC1 ZINC001607077645 1164072360 /nfs/dbraw/zinc/07/23/60/1164072360.db2.gz BTAJBDASGBVART-UHFFFAOYSA-N -1 3 290.258 1.680 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC=CCC1 ZINC001607077645 1164072367 /nfs/dbraw/zinc/07/23/67/1164072367.db2.gz BTAJBDASGBVART-UHFFFAOYSA-N -1 3 290.258 1.680 20 5 CDBDHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001589880726 1173196616 /nfs/dbraw/zinc/19/66/16/1173196616.db2.gz IHQXSHNFEIUCLT-SSDOTTSWSA-N -1 3 289.299 1.628 20 5 CDBDHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001589880726 1173196620 /nfs/dbraw/zinc/19/66/20/1173196620.db2.gz IHQXSHNFEIUCLT-SSDOTTSWSA-N -1 3 289.299 1.628 20 5 CDBDHM C[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590262016 1173325809 /nfs/dbraw/zinc/32/58/09/1173325809.db2.gz SUNDLSODTLHOOJ-QMMMGPOBSA-N -1 3 289.299 1.406 20 5 CDBDHM C[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590262016 1173325816 /nfs/dbraw/zinc/32/58/16/1173325816.db2.gz SUNDLSODTLHOOJ-QMMMGPOBSA-N -1 3 289.299 1.406 20 5 CDBDHM O=[N+]([O-])c1cc(NCC2CC2)ccc1-c1nnn[n-]1 ZINC001593474039 1174082694 /nfs/dbraw/zinc/08/26/94/1174082694.db2.gz OCZSRVQHVXGUJO-UHFFFAOYSA-N -1 3 260.257 1.597 20 5 CDBDHM O=C([O-])[C@@H]1CCN(CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC001601825927 1175023663 /nfs/dbraw/zinc/02/36/63/1175023663.db2.gz XCDKSHHCFCXLQD-HBNTYKKESA-N -1 3 256.302 1.228 20 5 CDBDHM CC(C)(O)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609084895 1164763679 /nfs/dbraw/zinc/76/36/79/1164763679.db2.gz JOZOTMVIEAYGJP-UHFFFAOYSA-N -1 3 292.299 1.348 20 5 CDBDHM CC(C)(O)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609084895 1164763686 /nfs/dbraw/zinc/76/36/86/1164763686.db2.gz JOZOTMVIEAYGJP-UHFFFAOYSA-N -1 3 292.299 1.348 20 5 CDBDHM COC(=O)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1C ZINC000853524660 824457321 /nfs/dbraw/zinc/45/73/21/824457321.db2.gz ZUNGXAASTYTERU-HTQZYQBOSA-N -1 3 281.268 1.083 20 5 CDBDHM CCOC(=O)N1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853483223 826623754 /nfs/dbraw/zinc/62/37/54/826623754.db2.gz WSPKVSHONAFETJ-MRVPVSSYSA-N -1 3 296.283 1.338 20 5 CDBDHM CCO[N-]C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000127543383 826818973 /nfs/dbraw/zinc/81/89/73/826818973.db2.gz CYXZTSRKXHYORW-UHFFFAOYSA-N -1 3 267.285 1.855 20 5 CDBDHM CC1=NO[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853661789 826908202 /nfs/dbraw/zinc/90/82/02/826908202.db2.gz UDXUUQRWYCOZKO-SSDOTTSWSA-N -1 3 252.230 1.272 20 5 CDBDHM O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccccc1[N+](=O)[O-] ZINC001206150093 911026186 /nfs/dbraw/zinc/02/61/86/911026186.db2.gz BCUKHWRYWJVAOV-UHFFFAOYSA-N -1 3 277.196 1.938 20 5 CDBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cnccn1 ZINC001225664719 941896074 /nfs/dbraw/zinc/89/60/74/941896074.db2.gz RYZMUBZEJGTGHO-ZETCQYMHSA-N -1 3 262.225 1.625 20 5 CDBDHM Cc1nnc(=O)[n-]c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001226463326 942009482 /nfs/dbraw/zinc/00/94/82/942009482.db2.gz GJNNWLHVXPVHRB-MRVPVSSYSA-N -1 3 276.252 1.934 20 5 CDBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCS(=O)(=O)C3)[n-]c2c1 ZINC001227746370 942217614 /nfs/dbraw/zinc/21/76/14/942217614.db2.gz RWOOTXJHMKQGQD-MRVPVSSYSA-N -1 3 297.292 1.037 20 5 CDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCS(=O)(=O)C3)nc2c1 ZINC001227746370 942217617 /nfs/dbraw/zinc/21/76/17/942217617.db2.gz RWOOTXJHMKQGQD-MRVPVSSYSA-N -1 3 297.292 1.037 20 5 CDBDHM CCO[C@H](C)COc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688278 942358907 /nfs/dbraw/zinc/35/89/07/942358907.db2.gz GGGQYAJHEWYCOQ-SSDOTTSWSA-N -1 3 256.258 1.808 20 5 CDBDHM CC[C@@](C)(NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000094228500 958273360 /nfs/dbraw/zinc/27/33/60/958273360.db2.gz JIURSOGJFHQJJW-GFCCVEGCSA-N -1 3 297.267 1.846 20 5 CDBDHM C[C@](CO)(NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592751389 979324874 /nfs/dbraw/zinc/32/48/74/979324874.db2.gz WSWKEOLXRQMNHM-LLVKDONJSA-N -1 3 288.687 1.173 20 5 CDBDHM CN(C)C(=O)Cn1ccc([N-]c2ccsc2[N+](=O)[O-])n1 ZINC000601120086 342471088 /nfs/dbraw/zinc/47/10/88/342471088.db2.gz ZTHGNIZVRNJSQT-UHFFFAOYSA-N -1 3 295.324 1.107 20 5 CDBDHM COc1cc(CN[C@H](CO)CCF)c([N+](=O)[O-])cc1[O-] ZINC000593690457 342823531 /nfs/dbraw/zinc/82/35/31/342823531.db2.gz YVDZJELBYDQYMH-VIFPVBQESA-N -1 3 288.275 1.119 20 5 CDBDHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000092924875 342265309 /nfs/dbraw/zinc/26/53/09/342265309.db2.gz WHWAFTYJVLTYQR-JOYOIKCWSA-N -1 3 264.281 1.890 20 5 CDBDHM Cn1ncc2c1CCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596003536 343207301 /nfs/dbraw/zinc/20/73/01/343207301.db2.gz QZZSGMMNLPOZMF-UHFFFAOYSA-N -1 3 289.295 1.382 20 5 CDBDHM CC(C)(C)C[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596131516 343238448 /nfs/dbraw/zinc/23/84/48/343238448.db2.gz OBPLVWCJUGJDBS-MRVPVSSYSA-N -1 3 269.301 1.904 20 5 CDBDHM CCC(=O)N1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596160940 343256139 /nfs/dbraw/zinc/25/61/39/343256139.db2.gz QGCPWCCQGUBBGL-MRVPVSSYSA-N -1 3 280.284 1.118 20 5 CDBDHM O=c1[n-]ccc(NCCC2(O)CCOCC2)c1[N+](=O)[O-] ZINC000596232037 343262181 /nfs/dbraw/zinc/26/21/81/343262181.db2.gz SRACVDYCFBNLKW-UHFFFAOYSA-N -1 3 283.284 1.039 20 5 CDBDHM O=c1[n-]ccc(SC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000596209943 343267428 /nfs/dbraw/zinc/26/74/28/343267428.db2.gz JYPCHWIJEQYWHY-ZETCQYMHSA-N -1 3 256.283 1.967 20 5 CDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000596220810 343270370 /nfs/dbraw/zinc/27/03/70/343270370.db2.gz BRJAMRDUVOQMMJ-GZMMTYOYSA-N -1 3 279.296 1.699 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(CC2CC2)CC1 ZINC000611259348 346723501 /nfs/dbraw/zinc/72/35/01/346723501.db2.gz HMYOCUTYKSEUIB-UHFFFAOYSA-N -1 3 291.351 1.828 20 5 CDBDHM Cc1ccc(NC(=O)[C@@H](N)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000085818681 179181264 /nfs/dbraw/zinc/18/12/64/179181264.db2.gz CLGSYURHDGVHMN-VIFPVBQESA-N -1 3 281.268 1.034 20 5 CDBDHM O=C([N-]c1ncc(Cl)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000619788148 350850623 /nfs/dbraw/zinc/85/06/23/350850623.db2.gz ILGSUJSWUQICLE-UHFFFAOYSA-N -1 3 273.661 1.680 20 5 CDBDHM COC(=O)c1cnc(SCCn2cc([N+](=O)[O-])cn2)[n-]1 ZINC000193535397 358301343 /nfs/dbraw/zinc/30/13/43/358301343.db2.gz CLVBBWBLXHIGQS-UHFFFAOYSA-N -1 3 297.296 1.093 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccco2)c([N+](=O)[O-])c1 ZINC000337814134 358354778 /nfs/dbraw/zinc/35/47/78/358354778.db2.gz PQOHMIVQXCQNQV-UHFFFAOYSA-N -1 3 296.304 1.975 20 5 CDBDHM COc1cc(S(=O)(=O)[N-]CC(F)F)ccc1[N+](=O)[O-] ZINC000150824504 358863835 /nfs/dbraw/zinc/86/38/35/358863835.db2.gz BQARRASDQUOKPU-UHFFFAOYSA-N -1 3 296.251 1.147 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)F)c([N+](=O)[O-])c1 ZINC000339033338 359279490 /nfs/dbraw/zinc/27/94/90/359279490.db2.gz BKQXQUWCOFUCGB-SECBINFHSA-N -1 3 290.316 1.930 20 5 CDBDHM CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])n2C)[n-]1 ZINC000340263696 359629987 /nfs/dbraw/zinc/62/99/87/359629987.db2.gz JQJXHKNHXPPJBK-UHFFFAOYSA-N -1 3 282.285 1.026 20 5 CDBDHM CSc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000340263696 359629990 /nfs/dbraw/zinc/62/99/90/359629990.db2.gz JQJXHKNHXPPJBK-UHFFFAOYSA-N -1 3 282.285 1.026 20 5 CDBDHM CSc1nc(NC(=O)c2ccc([N+](=O)[O-])n2C)n[n-]1 ZINC000340263696 359629992 /nfs/dbraw/zinc/62/99/92/359629992.db2.gz JQJXHKNHXPPJBK-UHFFFAOYSA-N -1 3 282.285 1.026 20 5 CDBDHM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCCC1 ZINC000548180839 360448740 /nfs/dbraw/zinc/44/87/40/360448740.db2.gz HVSDPLVDIBHSOE-JTQLQIEISA-N -1 3 293.323 1.515 20 5 CDBDHM CC(=O)[N-]O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000180807241 189276526 /nfs/dbraw/zinc/27/65/26/189276526.db2.gz VXSBWZYJOIKRIP-MRVPVSSYSA-N -1 3 281.268 1.298 20 5 CDBDHM CCc1cnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000174602611 364242579 /nfs/dbraw/zinc/24/25/79/364242579.db2.gz RVACJSXEFCGSDF-UHFFFAOYSA-N -1 3 294.292 1.967 20 5 CDBDHM C[C@@H](O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272208578 367315229 /nfs/dbraw/zinc/31/52/29/367315229.db2.gz RCWCLYMNRWJZNS-SSDOTTSWSA-N -1 3 274.223 1.184 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000416645744 242085811 /nfs/dbraw/zinc/08/58/11/242085811.db2.gz KGPSSRVEQGFCAJ-SNVBAGLBSA-N -1 3 296.348 1.982 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CC12CC2 ZINC000416651240 242088222 /nfs/dbraw/zinc/08/82/22/242088222.db2.gz RMOPEDVDTIAXKW-JTQLQIEISA-N -1 3 296.348 1.982 20 5 CDBDHM CCc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)n[nH]1 ZINC000122925272 373693226 /nfs/dbraw/zinc/69/32/26/373693226.db2.gz MKUZNHJMLNJLDQ-UHFFFAOYSA-N -1 3 291.267 1.536 20 5 CDBDHM CN1CC=C(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000392201930 375043010 /nfs/dbraw/zinc/04/30/10/375043010.db2.gz JYBBSQPCOMPNQO-UHFFFAOYSA-N -1 3 291.307 1.967 20 5 CDBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354631544 375735620 /nfs/dbraw/zinc/73/56/20/375735620.db2.gz WMGPYLGNKRSYKJ-UHFFFAOYSA-N -1 3 277.240 1.744 20 5 CDBDHM Cc1conc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000435726715 248189949 /nfs/dbraw/zinc/18/99/49/248189949.db2.gz BBUGUBBVPAOLSC-UHFFFAOYSA-N -1 3 265.200 1.705 20 5 CDBDHM C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000519782350 391220498 /nfs/dbraw/zinc/22/04/98/391220498.db2.gz ZTKNSYJKTQVXBW-VHSXEESVSA-N -1 3 293.323 1.822 20 5 CDBDHM COc1cc(C(=O)[N-]OC(C)C)c([N+](=O)[O-])cc1OC ZINC000294138502 391338622 /nfs/dbraw/zinc/33/86/22/391338622.db2.gz PCDPUDJTAPCTMS-UHFFFAOYSA-N -1 3 284.268 1.682 20 5 CDBDHM Cc1cc(NC(=O)[N-]OC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000189765254 130019978 /nfs/dbraw/zinc/01/99/78/130019978.db2.gz JRUZREVUYWLHNJ-SNVBAGLBSA-N -1 3 295.295 1.993 20 5 CDBDHM CN(CCNC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000225799071 397963977 /nfs/dbraw/zinc/96/39/77/397963977.db2.gz VNSJUXIJGOTNOU-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352476536 155212054 /nfs/dbraw/zinc/21/20/54/155212054.db2.gz IUBAUIXAINLCBH-SECBINFHSA-N -1 3 284.337 1.919 20 5 CDBDHM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)N1 ZINC000262263555 149042636 /nfs/dbraw/zinc/04/26/36/149042636.db2.gz USIFHRDJLIUOIR-RKDXNWHRSA-N -1 3 279.296 1.123 20 5 CDBDHM CCn1cnnc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000356188076 157389983 /nfs/dbraw/zinc/38/99/83/157389983.db2.gz UFKGEPAVTBQJNC-UHFFFAOYSA-N -1 3 267.270 1.520 20 5 CDBDHM CCn1cnnc1[N-]C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000285767082 196392352 /nfs/dbraw/zinc/39/23/52/196392352.db2.gz KYBWGCOIBJIZFD-UHFFFAOYSA-N -1 3 291.267 1.224 20 5 CDBDHM CCN(CCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000038024830 174008084 /nfs/dbraw/zinc/00/80/84/174008084.db2.gz OIIZUUZHPYPUAY-UHFFFAOYSA-N -1 3 252.270 1.891 20 5 CDBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590106245 1173260403 /nfs/dbraw/zinc/26/04/03/1173260403.db2.gz PIRZHHWSXCRAJS-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590106245 1173260407 /nfs/dbraw/zinc/26/04/07/1173260407.db2.gz PIRZHHWSXCRAJS-UHFFFAOYSA-N -1 3 274.284 1.621 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000532501919 281992107 /nfs/dbraw/zinc/99/21/07/281992107.db2.gz QFXDRVFXKRAQIN-MRVPVSSYSA-N -1 3 297.702 1.567 20 5 CDBDHM CC1(C)[C@@H](O)C[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000555582634 290227229 /nfs/dbraw/zinc/22/72/29/290227229.db2.gz HRBFUELIVOQAFH-RYUDHWBXSA-N -1 3 266.297 1.549 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001600304690 1174441242 /nfs/dbraw/zinc/44/12/42/1174441242.db2.gz GJPNDYSXJLGPPK-YPMHNXCESA-N -1 3 294.307 1.171 20 5 CDBDHM O=C([O-])C[C@]1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC001601936657 1175075655 /nfs/dbraw/zinc/07/56/55/1175075655.db2.gz GSWRSCFTFONGOA-CYBMUJFWSA-N -1 3 298.270 1.457 20 5 CDBDHM C[C@@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824677803 608098668 /nfs/dbraw/zinc/09/86/68/608098668.db2.gz HSPNPSDWKJRIES-SSDOTTSWSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824677803 608098669 /nfs/dbraw/zinc/09/86/69/608098669.db2.gz HSPNPSDWKJRIES-SSDOTTSWSA-N -1 3 292.299 1.346 20 5 CDBDHM CC(COC(=O)c1ccc(C(=O)[O-])cc1F)[N+](=O)[O-] ZINC001604204475 1163124801 /nfs/dbraw/zinc/12/48/01/1163124801.db2.gz ZUDDOUBYWABROV-LURJTMIESA-N -1 3 271.200 1.346 20 5 CDBDHM Cc1cc(NCC2COC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605731909 1163653143 /nfs/dbraw/zinc/65/31/43/1163653143.db2.gz LTZHDHYVWHCSJZ-UHFFFAOYSA-N -1 3 290.283 1.142 20 5 CDBDHM Cc1cc(NCC2COC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605731909 1163653146 /nfs/dbraw/zinc/65/31/46/1163653146.db2.gz LTZHDHYVWHCSJZ-UHFFFAOYSA-N -1 3 290.283 1.142 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001607081637 1164070727 /nfs/dbraw/zinc/07/07/27/1164070727.db2.gz GADQRVZLWGNYPF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001607081637 1164070732 /nfs/dbraw/zinc/07/07/32/1164070732.db2.gz GADQRVZLWGNYPF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM C[C@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609156838 1164802511 /nfs/dbraw/zinc/80/25/11/1164802511.db2.gz MLJMZKSCGCYQGM-BQBZGAKWSA-N -1 3 275.272 1.157 20 5 CDBDHM C[C@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609156838 1164802515 /nfs/dbraw/zinc/80/25/15/1164802515.db2.gz MLJMZKSCGCYQGM-BQBZGAKWSA-N -1 3 275.272 1.157 20 5 CDBDHM CCc1nccn1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001578685756 1171981819 /nfs/dbraw/zinc/98/18/19/1171981819.db2.gz ICLNQVIWKABMNK-UHFFFAOYSA-N -1 3 299.294 1.582 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCC(F)(F)F ZINC001582803834 1172692291 /nfs/dbraw/zinc/69/22/91/1172692291.db2.gz ACQANKWEUAHJKX-UHFFFAOYSA-N -1 3 288.189 1.749 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCC(F)(F)F ZINC001582803834 1172692296 /nfs/dbraw/zinc/69/22/96/1172692296.db2.gz ACQANKWEUAHJKX-UHFFFAOYSA-N -1 3 288.189 1.749 20 5 CDBDHM C[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590317264 1173349912 /nfs/dbraw/zinc/34/99/12/1173349912.db2.gz WMTNFZNZKHYEGS-OCAPTIKFSA-N -1 3 289.299 1.262 20 5 CDBDHM C[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590317264 1173349918 /nfs/dbraw/zinc/34/99/18/1173349918.db2.gz WMTNFZNZKHYEGS-OCAPTIKFSA-N -1 3 289.299 1.262 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2cncc(-c3nnn[n-]3)c2)cn1 ZINC001593478554 1174080841 /nfs/dbraw/zinc/08/08/41/1174080841.db2.gz HXCVZIBXNNVUSE-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1ccc(NCc2cncc(-c3nn[n-]n3)c2)cn1 ZINC001593478554 1174080846 /nfs/dbraw/zinc/08/08/46/1174080846.db2.gz HXCVZIBXNNVUSE-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCF ZINC001593482959 1174085385 /nfs/dbraw/zinc/08/53/85/1174085385.db2.gz JAMYOBQPHPLKIH-UHFFFAOYSA-N -1 3 252.209 1.156 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCF ZINC001593482959 1174085390 /nfs/dbraw/zinc/08/53/90/1174085390.db2.gz JAMYOBQPHPLKIH-UHFFFAOYSA-N -1 3 252.209 1.156 20 5 CDBDHM CC1(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001603820969 1175643589 /nfs/dbraw/zinc/64/35/89/1175643589.db2.gz VVKNDPGSBJRKTM-UHFFFAOYSA-N -1 3 260.257 1.739 20 5 CDBDHM CC1(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001603820969 1175643591 /nfs/dbraw/zinc/64/35/91/1175643591.db2.gz VVKNDPGSBJRKTM-UHFFFAOYSA-N -1 3 260.257 1.739 20 5 CDBDHM O=C([N-]c1ccon1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000194923602 830264364 /nfs/dbraw/zinc/26/43/64/830264364.db2.gz HVLSFSCZASJNCC-UHFFFAOYSA-N -1 3 278.180 1.743 20 5 CDBDHM C[C@@H]1COCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853458780 833883313 /nfs/dbraw/zinc/88/33/13/833883313.db2.gz TVVKAFRZHKYPSA-QMMMGPOBSA-N -1 3 253.258 1.168 20 5 CDBDHM COC(=O)CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604940880 1167875067 /nfs/dbraw/zinc/87/50/67/1167875067.db2.gz IQUGVMQWXFBOMJ-UHFFFAOYSA-N -1 3 295.280 1.040 20 5 CDBDHM COC(=O)CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604940880 1167875071 /nfs/dbraw/zinc/87/50/71/1167875071.db2.gz IQUGVMQWXFBOMJ-UHFFFAOYSA-N -1 3 295.280 1.040 20 5 CDBDHM NC(=O)c1ncccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814401 925876513 /nfs/dbraw/zinc/87/65/13/925876513.db2.gz ISIRQVJWPPJIOU-UHFFFAOYSA-N -1 3 274.236 1.538 20 5 CDBDHM CC(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096002723 935874675 /nfs/dbraw/zinc/87/46/75/935874675.db2.gz UZAIQLNLOJLBSG-UHFFFAOYSA-N -1 3 294.311 1.190 20 5 CDBDHM Cc1c(C)c([N+](=O)[O-])cnc1NCCCc1c[n-][nH]c1=O ZINC001156279352 938345367 /nfs/dbraw/zinc/34/53/67/938345367.db2.gz QVHUEJCSFVEOSY-JTQLQIEISA-N -1 3 291.311 1.531 20 5 CDBDHM Cc1c(C)c([N+](=O)[O-])cnc1NCCCc1c[n-][nH]c1=O ZINC001156279353 938345738 /nfs/dbraw/zinc/34/57/38/938345738.db2.gz QVHUEJCSFVEOSY-SNVBAGLBSA-N -1 3 291.311 1.531 20 5 CDBDHM Cc1cc([N+](=O)[O-])cc(NCCCc2c[n-][nH]c2=O)c1F ZINC001164394529 939470007 /nfs/dbraw/zinc/47/00/07/939470007.db2.gz FSXJYKAAKLHWIN-VIFPVBQESA-N -1 3 294.286 1.966 20 5 CDBDHM COC(=O)[C@H]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225664749 941897121 /nfs/dbraw/zinc/89/71/21/941897121.db2.gz SPWXKJRXVUCKFZ-DTORHVGOSA-N -1 3 296.279 1.806 20 5 CDBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ncccn1 ZINC001227692990 942204939 /nfs/dbraw/zinc/20/49/39/942204939.db2.gz IEWSJDNAXKQLRB-ZETCQYMHSA-N -1 3 286.251 1.796 20 5 CDBDHM O=c1nc2cccnc2c(O[C@H](C[N+](=O)[O-])C2CC2)[n-]1 ZINC001228008477 942256173 /nfs/dbraw/zinc/25/61/73/942256173.db2.gz OJAOXJZHXGCDFL-SECBINFHSA-N -1 3 276.252 1.165 20 5 CDBDHM C[C@H](OC1=NC(=O)CC([O-])=N1)c1cccc([N+](=O)[O-])c1 ZINC001228387445 942309101 /nfs/dbraw/zinc/30/91/01/942309101.db2.gz AIWHAYVRVGJIRF-ZETCQYMHSA-N -1 3 277.236 1.936 20 5 CDBDHM CCN1CCC[C@H](Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])C1 ZINC001231264201 942838484 /nfs/dbraw/zinc/83/84/84/942838484.db2.gz OTYYUGCADNVRQW-JTQLQIEISA-N -1 3 281.312 1.867 20 5 CDBDHM CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C(=O)[O-] ZINC001331924762 957735807 /nfs/dbraw/zinc/73/58/07/957735807.db2.gz XIYWXTNMIKMSAT-MRVPVSSYSA-N -1 3 268.269 1.556 20 5 CDBDHM COC(=O)c1ccnc([N-]c2cn[nH]c2)c1[N+](=O)[O-] ZINC000590572167 342577147 /nfs/dbraw/zinc/57/71/47/342577147.db2.gz WTAOTZYZVALKBH-UHFFFAOYSA-N -1 3 263.213 1.243 20 5 CDBDHM O=C([O-])CN1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000592980216 342754838 /nfs/dbraw/zinc/75/48/38/342754838.db2.gz PBQGMJAVQFMMLB-UHFFFAOYSA-N -1 3 285.325 1.253 20 5 CDBDHM C[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000158191954 342278071 /nfs/dbraw/zinc/27/80/71/342278071.db2.gz YAYMJJTZPDCTGY-WCBMZHEXSA-N -1 3 294.311 1.583 20 5 CDBDHM COC(=O)[C@H](C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596069644 343224819 /nfs/dbraw/zinc/22/48/19/343224819.db2.gz HQAILWHDHMHPAW-YFKPBYRVSA-N -1 3 258.255 1.349 20 5 CDBDHM COCCN1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596116612 343231968 /nfs/dbraw/zinc/23/19/68/343231968.db2.gz ODDSKBZSZSSRGW-SNVBAGLBSA-N -1 3 296.327 1.218 20 5 CDBDHM CN(C[C@H]1CCOC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596151814 343245835 /nfs/dbraw/zinc/24/58/35/343245835.db2.gz AWIDEFSBNHVFBI-MRVPVSSYSA-N -1 3 253.258 1.168 20 5 CDBDHM COC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC000596170521 343258497 /nfs/dbraw/zinc/25/84/97/343258497.db2.gz SXFPHQXQQJLFEK-UHFFFAOYSA-N -1 3 283.284 1.303 20 5 CDBDHM C[C@H](O)C[C@@H]1CCCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596172516 343259270 /nfs/dbraw/zinc/25/92/70/343259270.db2.gz KWHOLGMXZHRNKK-IUCAKERBSA-N -1 3 267.285 1.435 20 5 CDBDHM O=C1[N-]N(c2ccc([N+](=O)[O-])cc2F)C(=O)[C@H]2CCC[C@H]12 ZINC000601940527 344288167 /nfs/dbraw/zinc/28/81/67/344288167.db2.gz RNSBFOLPHYKZEX-IUCAKERBSA-N -1 3 293.254 1.528 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(SCCc2nnn[n-]2)c1 ZINC000603396978 344798537 /nfs/dbraw/zinc/79/85/37/344798537.db2.gz MLXJMMMHFSPMFZ-UHFFFAOYSA-N -1 3 265.298 1.751 20 5 CDBDHM Cc1ccc([N+](=O)[O-])c(SCCc2nn[n-]n2)c1 ZINC000603396978 344798538 /nfs/dbraw/zinc/79/85/38/344798538.db2.gz MLXJMMMHFSPMFZ-UHFFFAOYSA-N -1 3 265.298 1.751 20 5 CDBDHM CCN1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000159918095 188447657 /nfs/dbraw/zinc/44/76/57/188447657.db2.gz IQCDPNFXRKJIML-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM COc1cccc(F)c1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000358449158 356250150 /nfs/dbraw/zinc/25/01/50/356250150.db2.gz SIDUYQYXUUKGLQ-UHFFFAOYSA-N -1 3 294.242 1.728 20 5 CDBDHM Cc1nc([C@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000286356307 356265518 /nfs/dbraw/zinc/26/55/18/356265518.db2.gz LTHSUTLHKOJLPR-LURJTMIESA-N -1 3 291.267 1.218 20 5 CDBDHM CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000184604826 357490328 /nfs/dbraw/zinc/49/03/28/357490328.db2.gz FRNUBOJLQWSKJV-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000342678447 359612901 /nfs/dbraw/zinc/61/29/01/359612901.db2.gz VWPMZRWSEQQKFA-UHFFFAOYSA-N -1 3 250.301 1.263 20 5 CDBDHM O=C(NCc1ccc([O-])c(F)c1)c1[nH]ncc1[N+](=O)[O-] ZINC000162828503 361034254 /nfs/dbraw/zinc/03/42/54/361034254.db2.gz CQLLQEUCVWYQNT-UHFFFAOYSA-N -1 3 280.215 1.093 20 5 CDBDHM CC(C)(O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000274713399 374682321 /nfs/dbraw/zinc/68/23/21/374682321.db2.gz DWYNDQCMWDPNLX-UHFFFAOYSA-N -1 3 288.325 1.034 20 5 CDBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)CF)cc1[N+](=O)[O-] ZINC000351753376 375326846 /nfs/dbraw/zinc/32/68/46/375326846.db2.gz CLWUBWAKMHEESN-UHFFFAOYSA-N -1 3 296.345 1.991 20 5 CDBDHM CCOc1ccc(C(=O)[N-]c2nonc2C)cc1[N+](=O)[O-] ZINC000058161417 375677743 /nfs/dbraw/zinc/67/77/43/375677743.db2.gz SIKXJDAGTZXGGH-UHFFFAOYSA-N -1 3 292.251 1.937 20 5 CDBDHM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N(C)C1CC1 ZINC000157772701 390416981 /nfs/dbraw/zinc/41/69/81/390416981.db2.gz VVDUFNFEISLHKX-VIFPVBQESA-N -1 3 293.323 1.513 20 5 CDBDHM NC(=O)[N-]C(=O)OCCCSc1cccc([N+](=O)[O-])c1 ZINC000495656458 391912822 /nfs/dbraw/zinc/91/28/22/391912822.db2.gz XASROVANIBOXEG-UHFFFAOYSA-N -1 3 299.308 1.882 20 5 CDBDHM CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000595279964 392553573 /nfs/dbraw/zinc/55/35/73/392553573.db2.gz MMBJQZAQBVAAIO-CHWSQXEVSA-N -1 3 294.307 1.659 20 5 CDBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]O[C@@H]1CCOC1 ZINC000493793736 393221540 /nfs/dbraw/zinc/22/15/40/393221540.db2.gz RDQNSKQJUQEKTK-ISALQUGTSA-N -1 3 278.264 1.445 20 5 CDBDHM Cc1cnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000186822756 140070591 /nfs/dbraw/zinc/07/05/91/140070591.db2.gz ATUZNFXRBRQBKQ-UHFFFAOYSA-N -1 3 280.265 1.713 20 5 CDBDHM Cc1cccc([O-])c1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184300084 148344108 /nfs/dbraw/zinc/34/41/08/148344108.db2.gz JKGQDPKZQMXCHS-UHFFFAOYSA-N -1 3 288.263 1.838 20 5 CDBDHM O=C([O-])c1cc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000044679316 175228728 /nfs/dbraw/zinc/22/87/28/175228728.db2.gz OPDKBTFNPOQQGW-SNVBAGLBSA-N -1 3 291.307 1.942 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1N1CCc2nc[n-]c(=O)c2C1 ZINC000269710681 292585738 /nfs/dbraw/zinc/58/57/38/292585738.db2.gz NUHLERNYIPZFAC-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM CN(C)CC1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1 ZINC000281789168 289098775 /nfs/dbraw/zinc/09/87/75/289098775.db2.gz SAZBPLBRYOGWOL-UHFFFAOYSA-N -1 3 293.323 1.515 20 5 CDBDHM COc1nnc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000255132098 289358178 /nfs/dbraw/zinc/35/81/78/289358178.db2.gz KQJRWSBGIFPZPF-DAXSKMNVSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1nc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000255132098 289358183 /nfs/dbraw/zinc/35/81/83/289358183.db2.gz KQJRWSBGIFPZPF-DAXSKMNVSA-N -1 3 289.251 1.373 20 5 CDBDHM COc1n[n-]c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000255132098 289358186 /nfs/dbraw/zinc/35/81/86/289358186.db2.gz KQJRWSBGIFPZPF-DAXSKMNVSA-N -1 3 289.251 1.373 20 5 CDBDHM CCC[C@H](O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590559808 1173462799 /nfs/dbraw/zinc/46/27/99/1173462799.db2.gz JOKSAHWVMRLKCP-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000732214602 575083628 /nfs/dbraw/zinc/08/36/28/575083628.db2.gz LERWJDKNAZRPNQ-UHFFFAOYSA-N -1 3 283.265 1.394 20 5 CDBDHM CSCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737181176 575897087 /nfs/dbraw/zinc/89/70/87/575897087.db2.gz IALUMUJZIMMXKG-UHFFFAOYSA-N -1 3 295.328 1.335 20 5 CDBDHM CSCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737181176 575897088 /nfs/dbraw/zinc/89/70/88/575897088.db2.gz IALUMUJZIMMXKG-UHFFFAOYSA-N -1 3 295.328 1.335 20 5 CDBDHM CCC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000820962765 606428816 /nfs/dbraw/zinc/42/88/16/606428816.db2.gz YZEQCMZOTUFANF-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM CCC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000820962765 606428818 /nfs/dbraw/zinc/42/88/18/606428818.db2.gz YZEQCMZOTUFANF-UHFFFAOYSA-N -1 3 289.299 1.772 20 5 CDBDHM C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825021665 608148756 /nfs/dbraw/zinc/14/87/56/608148756.db2.gz SFHNPLMSDCTRMV-XVKPBYJWSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825021665 608148757 /nfs/dbraw/zinc/14/87/57/608148757.db2.gz SFHNPLMSDCTRMV-XVKPBYJWSA-N -1 3 290.283 1.364 20 5 CDBDHM C[C@@]1(C(=O)[O-])CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000903408133 625984476 /nfs/dbraw/zinc/98/44/76/625984476.db2.gz DNRLBUJWRVTHJU-LBPRGKRZSA-N -1 3 265.269 1.429 20 5 CDBDHM CC(C)(C)CN(CC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC000903407872 625984655 /nfs/dbraw/zinc/98/46/55/625984655.db2.gz ACIBGZWXPLUEFD-UHFFFAOYSA-N -1 3 281.312 1.923 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2[C@@H]3CCC[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001607086999 1164073009 /nfs/dbraw/zinc/07/30/09/1164073009.db2.gz XDAPTEQBXGYJCM-DIYOJNKTSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1cnc(N[C@@H]2[C@@H]3CCC[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001607086999 1164073014 /nfs/dbraw/zinc/07/30/14/1164073014.db2.gz XDAPTEQBXGYJCM-DIYOJNKTSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1cccnc1 ZINC001609601633 1165000909 /nfs/dbraw/zinc/00/09/09/1165000909.db2.gz RPJUHRKHYCERFF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1cccnc1 ZINC001609601633 1165000912 /nfs/dbraw/zinc/00/09/12/1165000912.db2.gz RPJUHRKHYCERFF-UHFFFAOYSA-N -1 3 297.278 1.782 20 5 CDBDHM CN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC1 ZINC001591155965 1173585534 /nfs/dbraw/zinc/58/55/34/1173585534.db2.gz ZVXDDBSHXSLMKH-UHFFFAOYSA-N -1 3 260.257 1.374 20 5 CDBDHM Cc1cc(N2C[C@H](C)[C@@H]2C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591998980 1173769238 /nfs/dbraw/zinc/76/92/38/1173769238.db2.gz LPVXGOBQZFQWHR-IUCAKERBSA-N -1 3 288.311 1.928 20 5 CDBDHM Cc1cc(N2C[C@H](C)[C@@H]2C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591998980 1173769243 /nfs/dbraw/zinc/76/92/43/1173769243.db2.gz LPVXGOBQZFQWHR-IUCAKERBSA-N -1 3 288.311 1.928 20 5 CDBDHM C[C@@H]1COC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603946119 1175694925 /nfs/dbraw/zinc/69/49/25/1175694925.db2.gz GMZYMVAOUJGLLX-GMSGAONNSA-N -1 3 290.283 1.222 20 5 CDBDHM C[C@@H]1COC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603946119 1175694926 /nfs/dbraw/zinc/69/49/26/1175694926.db2.gz GMZYMVAOUJGLLX-GMSGAONNSA-N -1 3 290.283 1.222 20 5 CDBDHM Cc1nonc1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172929526 842445907 /nfs/dbraw/zinc/44/59/07/842445907.db2.gz VZXMZKMBWILVBA-UHFFFAOYSA-N -1 3 262.225 1.847 20 5 CDBDHM O=C(NCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1=CCCC1 ZINC001093547752 909953704 /nfs/dbraw/zinc/95/37/04/909953704.db2.gz ZVIHHGNCOHPSQM-UHFFFAOYSA-N -1 3 292.295 1.334 20 5 CDBDHM O=[N+]([O-])c1cncc(Cl)c1NCc1ncccc1[O-] ZINC001169733559 928400434 /nfs/dbraw/zinc/40/04/34/928400434.db2.gz ZPVZGOAMCPAXIE-UHFFFAOYSA-N -1 3 280.671 1.778 20 5 CDBDHM Cc1cc(C)c([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001156278530 938345665 /nfs/dbraw/zinc/34/56/65/938345665.db2.gz KBSYVCQTEDWGGP-JTQLQIEISA-N -1 3 291.311 1.531 20 5 CDBDHM C[C@H]1CC[C@@H](COc2nccc([O-])c2[N+](=O)[O-])O1 ZINC001225663005 941895905 /nfs/dbraw/zinc/89/59/05/941895905.db2.gz XAGAZRGPUDRZKX-YUMQZZPRSA-N -1 3 254.242 1.642 20 5 CDBDHM Cc1nc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc(=O)[n-]1 ZINC001226510768 942017303 /nfs/dbraw/zinc/01/73/03/942017303.db2.gz POMLOMYIDFJGBL-GFCCVEGCSA-N -1 3 287.275 1.945 20 5 CDBDHM COC[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746323 942217697 /nfs/dbraw/zinc/21/76/97/942217697.db2.gz RLWBYWCEQWBAQJ-ZETCQYMHSA-N -1 3 251.242 1.885 20 5 CDBDHM COC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746323 942217702 /nfs/dbraw/zinc/21/77/02/942217702.db2.gz RLWBYWCEQWBAQJ-ZETCQYMHSA-N -1 3 251.242 1.885 20 5 CDBDHM O=C1CC([O-])=NC(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)=N1 ZINC001228387892 942309403 /nfs/dbraw/zinc/30/94/03/942309403.db2.gz AFGNADAZTSSGJF-JTQLQIEISA-N -1 3 289.247 1.342 20 5 CDBDHM Cc1cc2[n-]c(OC[C@@H]3COC(=O)O3)nc2cc1[N+](=O)[O-] ZINC001228674611 942353578 /nfs/dbraw/zinc/35/35/78/942353578.db2.gz KCLDWZOKNKXCBG-SSDOTTSWSA-N -1 3 293.235 1.694 20 5 CDBDHM CC(C)(NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000090360181 949124812 /nfs/dbraw/zinc/12/48/12/949124812.db2.gz PIDAUJAVNRJRIX-UHFFFAOYSA-N -1 3 283.240 1.456 20 5 CDBDHM Cc1cc(SC2COC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605753229 1163660793 /nfs/dbraw/zinc/66/07/93/1163660793.db2.gz ADHNVXGNWBEXDQ-UHFFFAOYSA-N -1 3 293.308 1.574 20 5 CDBDHM Cc1cc(SC2COC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605753229 1163660794 /nfs/dbraw/zinc/66/07/94/1163660794.db2.gz ADHNVXGNWBEXDQ-UHFFFAOYSA-N -1 3 293.308 1.574 20 5 CDBDHM CC[C@@H](NC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000595930116 343184260 /nfs/dbraw/zinc/18/42/60/343184260.db2.gz XMLMKYMILGBHAJ-SSDOTTSWSA-N -1 3 287.703 1.890 20 5 CDBDHM CCN(CC)C(=O)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596075315 343226502 /nfs/dbraw/zinc/22/65/02/343226502.db2.gz HAEJBYGKSIGKKO-UHFFFAOYSA-N -1 3 296.327 1.756 20 5 CDBDHM CC(C)(C)OC(=O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127683 343237776 /nfs/dbraw/zinc/23/77/76/343237776.db2.gz CUZGLIDFZRCPKK-UHFFFAOYSA-N -1 3 269.257 1.449 20 5 CDBDHM COC[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596134491 343239453 /nfs/dbraw/zinc/23/94/53/343239453.db2.gz KFUMFXFNPWSKHN-MRVPVSSYSA-N -1 3 253.258 1.168 20 5 CDBDHM CCC(CC)[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596122254 343248378 /nfs/dbraw/zinc/24/83/78/343248378.db2.gz MKVZOWGWTZHSRV-SNVBAGLBSA-N -1 3 269.301 1.904 20 5 CDBDHM C[C@H]1CSCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596207529 343266399 /nfs/dbraw/zinc/26/63/99/343266399.db2.gz UGQDYOPJTARXGR-MRVPVSSYSA-N -1 3 269.326 1.885 20 5 CDBDHM Cc1cc(NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n(C)n1 ZINC000596216949 343269065 /nfs/dbraw/zinc/26/90/65/343269065.db2.gz IKOPKNOCEJJPSC-UHFFFAOYSA-N -1 3 292.299 1.261 20 5 CDBDHM O=c1[n-]ccc(NCCCOC(F)F)c1[N+](=O)[O-] ZINC000596222260 343270707 /nfs/dbraw/zinc/27/07/07/343270707.db2.gz RUHALOZQBPQTHQ-UHFFFAOYSA-N -1 3 263.200 1.737 20 5 CDBDHM O=c1[n-]ccc(NCc2ncc3c(n2)CCC3)c1[N+](=O)[O-] ZINC000596263247 343279090 /nfs/dbraw/zinc/27/90/90/343279090.db2.gz CIVLPAUQKWQJAH-UHFFFAOYSA-N -1 3 287.279 1.586 20 5 CDBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc([O-])c1F ZINC000535659099 282265067 /nfs/dbraw/zinc/26/50/67/282265067.db2.gz XKBYHRUDJURVII-UHFFFAOYSA-N -1 3 280.215 1.275 20 5 CDBDHM O=C([O-])CN(Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000086734257 345496191 /nfs/dbraw/zinc/49/61/91/345496191.db2.gz VMIRNQRAEQAWSK-UHFFFAOYSA-N -1 3 270.310 1.953 20 5 CDBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cnco1 ZINC000611164796 346625758 /nfs/dbraw/zinc/62/57/58/346625758.db2.gz MHQZJRCMMAFMOG-UHFFFAOYSA-N -1 3 299.246 1.647 20 5 CDBDHM O=C([N-]N1CCCCC1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136782373 187888468 /nfs/dbraw/zinc/88/84/68/187888468.db2.gz DUCGGEWTOFWAJU-UHFFFAOYSA-N -1 3 297.698 1.906 20 5 CDBDHM O=C(Nc1cccc(O)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188037476 357238495 /nfs/dbraw/zinc/23/84/95/357238495.db2.gz OMPAAMNWTOTHMI-UHFFFAOYSA-N -1 3 275.220 1.653 20 5 CDBDHM O=C(NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130405430 358306822 /nfs/dbraw/zinc/30/68/22/358306822.db2.gz DCXRNXWKRBTPSX-UHFFFAOYSA-N -1 3 293.323 1.516 20 5 CDBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1 ZINC000339120109 359294769 /nfs/dbraw/zinc/29/47/69/359294769.db2.gz OBMGUKIIRCAFRX-MNOVXSKESA-N -1 3 288.300 1.764 20 5 CDBDHM CC(F)(F)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000297134896 200094086 /nfs/dbraw/zinc/09/40/86/200094086.db2.gz QMOZZJKTGLOSGR-UHFFFAOYSA-N -1 3 294.279 1.918 20 5 CDBDHM CC[C@H](C)n1nc([N-]c2c([N+](=O)[O-])ncn2C)cc1C ZINC000342783118 360095865 /nfs/dbraw/zinc/09/58/65/360095865.db2.gz HQLVLVLEGIDCBG-QMMMGPOBSA-N -1 3 278.316 1.970 20 5 CDBDHM Cc1c(CC(=O)[N-]OC(C)C)cccc1[N+](=O)[O-] ZINC000295701155 370575216 /nfs/dbraw/zinc/57/52/16/370575216.db2.gz OGDSKYKOCQRISX-UHFFFAOYSA-N -1 3 252.270 1.902 20 5 CDBDHM CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000125532282 375031819 /nfs/dbraw/zinc/03/18/19/375031819.db2.gz NXCQRNPTUVXUBH-UHFFFAOYSA-N -1 3 295.339 1.714 20 5 CDBDHM Cc1ncc(CNC(=O)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000345094216 375799907 /nfs/dbraw/zinc/79/99/07/375799907.db2.gz NHBQCPUFISFCMD-UHFFFAOYSA-N -1 3 288.263 1.329 20 5 CDBDHM CCCN(CCN(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356726909 375858099 /nfs/dbraw/zinc/85/80/99/375858099.db2.gz LRTDIXAHFZFMJQ-UHFFFAOYSA-N -1 3 295.339 1.714 20 5 CDBDHM CCc1n[nH]c(C(=O)[N-]O[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000171806753 377054079 /nfs/dbraw/zinc/05/40/79/377054079.db2.gz IDOIQRLXVPGNEO-MRVPVSSYSA-N -1 3 284.272 1.068 20 5 CDBDHM O=C(Nc1cccc2c[nH]nc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444862335 250196685 /nfs/dbraw/zinc/19/66/85/250196685.db2.gz VEVGHMRAGPQBCZ-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C ZINC000231677254 140217768 /nfs/dbraw/zinc/21/77/68/140217768.db2.gz DDBCZSOFWFNCRK-MWLCHTKSSA-N -1 3 293.323 1.513 20 5 CDBDHM C[C@@H]1CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590238210 1173311089 /nfs/dbraw/zinc/31/10/89/1173311089.db2.gz CLEJEZLHQIVEOU-APPZFPTMSA-N -1 3 274.284 1.985 20 5 CDBDHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001590312603 1173348025 /nfs/dbraw/zinc/34/80/25/1173348025.db2.gz JISHUNMSEUIEAZ-HTQZYQBOSA-N -1 3 274.284 1.620 20 5 CDBDHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001590312603 1173348033 /nfs/dbraw/zinc/34/80/33/1173348033.db2.gz JISHUNMSEUIEAZ-HTQZYQBOSA-N -1 3 274.284 1.620 20 5 CDBDHM CC[C@H](C(=O)[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191396889 276548061 /nfs/dbraw/zinc/54/80/61/276548061.db2.gz DNUGNFHCPBGGBT-LLVKDONJSA-N -1 3 293.323 1.580 20 5 CDBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N=c1cc2ccccn2[n-]1 ZINC000552985235 290088319 /nfs/dbraw/zinc/08/83/19/290088319.db2.gz ZWOSUWGXMMZXRK-UHFFFAOYSA-N -1 3 297.274 1.499 20 5 CDBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386875804 323753158 /nfs/dbraw/zinc/75/31/58/323753158.db2.gz LKUPQIZGWIUGAT-DTWKUNHWSA-N -1 3 288.325 1.033 20 5 CDBDHM Cc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c([O-])c1 ZINC000127197294 482456793 /nfs/dbraw/zinc/45/67/93/482456793.db2.gz VSMVHJJYVOURSW-UHFFFAOYSA-N -1 3 276.252 1.444 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H](C)CO ZINC000736037200 575552957 /nfs/dbraw/zinc/55/29/57/575552957.db2.gz KGTXFWNGWFHGRU-HTQZYQBOSA-N -1 3 292.299 1.204 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H](C)CO ZINC000736037200 575552959 /nfs/dbraw/zinc/55/29/59/575552959.db2.gz KGTXFWNGWFHGRU-HTQZYQBOSA-N -1 3 292.299 1.204 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccon1 ZINC000747290156 576865243 /nfs/dbraw/zinc/86/52/43/576865243.db2.gz FTMVYNIKRIGODI-UHFFFAOYSA-N -1 3 283.265 1.061 20 5 CDBDHM C[C@H](CCO)Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820248766 599082648 /nfs/dbraw/zinc/08/26/48/599082648.db2.gz NKXNDSCMSPTFEO-ZCFIWIBFSA-N -1 3 296.312 1.033 20 5 CDBDHM CC(C)(CO)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819987734 607331651 /nfs/dbraw/zinc/33/16/51/607331651.db2.gz IZZJQRWQVJPBPE-UHFFFAOYSA-N -1 3 292.299 1.205 20 5 CDBDHM CC(C)(CO)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819987734 607331652 /nfs/dbraw/zinc/33/16/52/607331652.db2.gz IZZJQRWQVJPBPE-UHFFFAOYSA-N -1 3 292.299 1.205 20 5 CDBDHM CN(CC1CC1)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604728660 1163299348 /nfs/dbraw/zinc/29/93/48/1163299348.db2.gz XCFSOXGTXHTVGT-UHFFFAOYSA-N -1 3 292.274 1.760 20 5 CDBDHM CN(CC1CC1)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604728660 1163299354 /nfs/dbraw/zinc/29/93/54/1163299354.db2.gz XCFSOXGTXHTVGT-UHFFFAOYSA-N -1 3 292.274 1.760 20 5 CDBDHM C[C@H]1C[C@H](C)N1c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590192643 1173288449 /nfs/dbraw/zinc/28/84/49/1173288449.db2.gz VODXJPJKLCZQPB-YUMQZZPRSA-N -1 3 274.284 1.762 20 5 CDBDHM C[C@H]1C[C@H](C)N1c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590192643 1173288453 /nfs/dbraw/zinc/28/84/53/1173288453.db2.gz VODXJPJKLCZQPB-YUMQZZPRSA-N -1 3 274.284 1.762 20 5 CDBDHM C[C@@H]1CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590238210 1173311082 /nfs/dbraw/zinc/31/10/82/1173311082.db2.gz CLEJEZLHQIVEOU-APPZFPTMSA-N -1 3 274.284 1.985 20 5 CDBDHM Cc1cn([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1[N+](=O)[O-] ZINC001592284973 1173847254 /nfs/dbraw/zinc/84/72/54/1173847254.db2.gz KFUUIFKSFZHGMW-VIFPVBQESA-N -1 3 299.294 1.889 20 5 CDBDHM Cc1cn([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1[N+](=O)[O-] ZINC001592284973 1173847257 /nfs/dbraw/zinc/84/72/57/1173847257.db2.gz KFUUIFKSFZHGMW-VIFPVBQESA-N -1 3 299.294 1.889 20 5 CDBDHM C[C@H](CO)SCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603566421 1175566505 /nfs/dbraw/zinc/56/65/05/1175566505.db2.gz LTAIZCUFKJSZRW-SSDOTTSWSA-N -1 3 295.324 1.389 20 5 CDBDHM C[C@H](CO)SCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603566421 1175566513 /nfs/dbraw/zinc/56/65/13/1175566513.db2.gz LTAIZCUFKJSZRW-SSDOTTSWSA-N -1 3 295.324 1.389 20 5 CDBDHM CC(C)(O)C(C)(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001603687411 1175597048 /nfs/dbraw/zinc/59/70/48/1175597048.db2.gz FKJXCZJHHLPACY-UHFFFAOYSA-N -1 3 296.323 1.932 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2CCO)c1 ZINC001608914338 1164683061 /nfs/dbraw/zinc/68/30/61/1164683061.db2.gz MDOXBCPZLLURFT-LBPRGKRZSA-N -1 3 294.307 1.640 20 5 CDBDHM C[C@@H](CO)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580056 844557593 /nfs/dbraw/zinc/55/75/93/844557593.db2.gz HOICMDFHWWVQNW-ZETCQYMHSA-N -1 3 290.222 1.063 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805604912 845835099 /nfs/dbraw/zinc/83/50/99/845835099.db2.gz CGZKEVDZILUXLQ-QMMMGPOBSA-N -1 3 276.252 1.939 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805604912 845835103 /nfs/dbraw/zinc/83/51/03/845835103.db2.gz CGZKEVDZILUXLQ-QMMMGPOBSA-N -1 3 276.252 1.939 20 5 CDBDHM COC(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853230487 845947884 /nfs/dbraw/zinc/94/78/84/845947884.db2.gz HCVHWNYTDAFFMW-UHFFFAOYSA-N -1 3 296.283 1.338 20 5 CDBDHM CN1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666999 903643769 /nfs/dbraw/zinc/64/37/69/903643769.db2.gz NBHPLQJKZKLMPH-QMMMGPOBSA-N -1 3 253.258 1.168 20 5 CDBDHM COc1nn(C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801736 925868931 /nfs/dbraw/zinc/86/89/31/925868931.db2.gz IMFTVLOKKGGYSE-UHFFFAOYSA-N -1 3 264.241 1.786 20 5 CDBDHM C[C@H](N)c1ccn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001169234655 927849462 /nfs/dbraw/zinc/84/94/62/927849462.db2.gz JJAKQLKPAQIJNL-ZETCQYMHSA-N -1 3 276.252 1.498 20 5 CDBDHM COc1cnc(F)c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC001150011513 937213497 /nfs/dbraw/zinc/21/34/97/937213497.db2.gz ORBOCGOHIGCZGD-UHFFFAOYSA-N -1 3 281.203 1.113 20 5 CDBDHM Cc1c(F)cc([N+](=O)[O-])cc1NCCCc1c[n-][nH]c1=O ZINC001164409262 939471642 /nfs/dbraw/zinc/47/16/42/939471642.db2.gz WRYJCWVPDUQAPQ-SECBINFHSA-N -1 3 294.286 1.966 20 5 CDBDHM CC(=O)N1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225665307 941897524 /nfs/dbraw/zinc/89/75/24/941897524.db2.gz XQBSLOCFZDODSJ-SECBINFHSA-N -1 3 281.268 1.085 20 5 CDBDHM O=C1CCCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694704 942206527 /nfs/dbraw/zinc/20/65/27/942206527.db2.gz IFUDBMGSBUINJV-VIFPVBQESA-N -1 3 276.252 1.757 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCn3ccnc32)c1[N+](=O)[O-] ZINC001228687320 942358123 /nfs/dbraw/zinc/35/81/23/942358123.db2.gz VPSLIFTXPTXCQX-MRVPVSSYSA-N -1 3 276.252 1.724 20 5 CDBDHM CCN(CCNC(=O)C(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001100460387 968415384 /nfs/dbraw/zinc/41/53/84/968415384.db2.gz DGMQQZQRGKVWFT-UHFFFAOYSA-N -1 3 296.327 1.294 20 5 CDBDHM C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001522828509 970580256 /nfs/dbraw/zinc/58/02/56/970580256.db2.gz WONBRNLFIPMLNO-KXUCPTDWSA-N -1 3 293.323 1.511 20 5 CDBDHM COc1cc(NCc2ncccc2[O-])ncc1[N+](=O)[O-] ZINC001158774572 1163567972 /nfs/dbraw/zinc/56/79/72/1163567972.db2.gz OLYWKUFUNDJETJ-UHFFFAOYSA-N -1 3 276.252 1.711 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cocn1 ZINC000609215618 342096980 /nfs/dbraw/zinc/09/69/80/342096980.db2.gz GPDZIJUUZHAZSM-UHFFFAOYSA-N -1 3 263.209 1.844 20 5 CDBDHM CC(C)N1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596110136 343229781 /nfs/dbraw/zinc/22/97/81/343229781.db2.gz MGKKFRQMDMYFCE-QMMMGPOBSA-N -1 3 280.284 1.117 20 5 CDBDHM C[C@H](O)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596147464 343244092 /nfs/dbraw/zinc/24/40/92/343244092.db2.gz XODNXFSJKKHFLM-QMMMGPOBSA-N -1 3 269.301 1.904 20 5 CDBDHM CN(C[C@@H]1CCCC[C@H]1O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596188291 343252578 /nfs/dbraw/zinc/25/25/78/343252578.db2.gz VNTIOFPTSQECNT-GXSJLCMTSA-N -1 3 281.312 1.683 20 5 CDBDHM O=c1[n-]ccc(NC[C@@H]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000596206383 343265891 /nfs/dbraw/zinc/26/58/91/343265891.db2.gz JXYOSPQNROWVCI-HTQZYQBOSA-N -1 3 253.258 1.268 20 5 CDBDHM COCCO[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596220563 343270543 /nfs/dbraw/zinc/27/05/43/343270543.db2.gz AGQFLGGEKXIVIG-JTQLQIEISA-N -1 3 297.311 1.327 20 5 CDBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000596229733 343272832 /nfs/dbraw/zinc/27/28/32/343272832.db2.gz FCQBPEHCPRRIOK-QMMMGPOBSA-N -1 3 253.258 1.311 20 5 CDBDHM CO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596253742 343275287 /nfs/dbraw/zinc/27/52/87/343275287.db2.gz DGVHUNOUFHBKHS-WCBMZHEXSA-N -1 3 267.285 1.557 20 5 CDBDHM O=C1[N-]N(c2ccc([N+](=O)[O-])cc2F)C(=O)[C@H]2CCC[C@@H]12 ZINC000601940525 344288154 /nfs/dbraw/zinc/28/81/54/344288154.db2.gz RNSBFOLPHYKZEX-BDAKNGLRSA-N -1 3 293.254 1.528 20 5 CDBDHM NC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1F ZINC000033062523 344953036 /nfs/dbraw/zinc/95/30/36/344953036.db2.gz GTFLYUYEGJPFCK-UHFFFAOYSA-N -1 3 293.210 1.678 20 5 CDBDHM CCCc1n[nH]c(C(=O)[N-]OCC(C)C)c1[N+](=O)[O-] ZINC000123015684 187066130 /nfs/dbraw/zinc/06/61/30/187066130.db2.gz YRTZWBGJLTXPJB-UHFFFAOYSA-N -1 3 270.289 1.588 20 5 CDBDHM O=C([N-]c1nc(C2CC2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000135511661 187835114 /nfs/dbraw/zinc/83/51/14/187835114.db2.gz JFGHXWCDOIYDNZ-UHFFFAOYSA-N -1 3 279.281 1.904 20 5 CDBDHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000065607203 363397766 /nfs/dbraw/zinc/39/77/66/363397766.db2.gz VFEWFXSUNQCZHT-UHFFFAOYSA-N -1 3 297.292 1.370 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(C)ccc1[O-] ZINC000273558631 192203251 /nfs/dbraw/zinc/20/32/51/192203251.db2.gz VYFPGBWRJMFOND-UHFFFAOYSA-N -1 3 291.267 1.147 20 5 CDBDHM COc1ccc(NC([O-])=NOC(C)(C)CO)cc1[N+](=O)[O-] ZINC000296818588 200006656 /nfs/dbraw/zinc/00/66/56/200006656.db2.gz MMOMVLMUXBMKOJ-UHFFFAOYSA-N -1 3 299.283 1.427 20 5 CDBDHM COc1ccc(NC(=O)[N-]OC(C)(C)CO)cc1[N+](=O)[O-] ZINC000296818588 200006657 /nfs/dbraw/zinc/00/66/57/200006657.db2.gz MMOMVLMUXBMKOJ-UHFFFAOYSA-N -1 3 299.283 1.427 20 5 CDBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000289559970 359619571 /nfs/dbraw/zinc/61/95/71/359619571.db2.gz OWHHAAIIGCCMFD-VIFPVBQESA-N -1 3 288.325 1.298 20 5 CDBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC(=O)[O-] ZINC000572654077 363888778 /nfs/dbraw/zinc/88/87/78/363888778.db2.gz XTFXLOPUWUWDHS-SECBINFHSA-N -1 3 252.270 1.981 20 5 CDBDHM Cc1[nH]n(C)c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)c1-2 ZINC000358237914 367534236 /nfs/dbraw/zinc/53/42/36/367534236.db2.gz FZOHTKSSZHRDPA-UHFFFAOYSA-N -1 3 290.239 1.358 20 5 CDBDHM COC(=O)Cn1ncc([N-]c2ncccc2[N+](=O)[O-])c1C ZINC000193020382 373666430 /nfs/dbraw/zinc/66/64/30/373666430.db2.gz SPQZNESJGKZTLC-UHFFFAOYSA-N -1 3 291.267 1.411 20 5 CDBDHM CCOC(=O)c1ccnc([N-]c2cn[nH]c2)c1[N+](=O)[O-] ZINC000133327796 375756717 /nfs/dbraw/zinc/75/67/17/375756717.db2.gz UXRYYNFVSZOJNZ-UHFFFAOYSA-N -1 3 277.240 1.633 20 5 CDBDHM Cn1c(C(=O)Nc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000358033627 375948358 /nfs/dbraw/zinc/94/83/58/375948358.db2.gz FMNTYRCWAVXVEH-UHFFFAOYSA-N -1 3 262.225 1.286 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000486826575 376027327 /nfs/dbraw/zinc/02/73/27/376027327.db2.gz QNGLVKPICNHPJA-DDFAGTSDSA-N -1 3 296.348 1.980 20 5 CDBDHM C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCN1C ZINC000345325918 377935470 /nfs/dbraw/zinc/93/54/70/377935470.db2.gz SCAOVWJEZIKNHP-KOLCDFICSA-N -1 3 293.323 1.513 20 5 CDBDHM NC(=O)[C@H]([N-]c1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000129598618 378562844 /nfs/dbraw/zinc/56/28/44/378562844.db2.gz ACEBNRNSBFRYHG-SNVBAGLBSA-N -1 3 291.242 1.162 20 5 CDBDHM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cn[nH]c2)n1 ZINC000439102019 391410433 /nfs/dbraw/zinc/41/04/33/391410433.db2.gz XLLZDDXLKKJCTG-UHFFFAOYSA-N -1 3 263.213 1.243 20 5 CDBDHM CC(C)(CO)O[N-]C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493719430 393219079 /nfs/dbraw/zinc/21/90/79/393219079.db2.gz HPZFPDQOSVMPCJ-SREVYHEPSA-N -1 3 280.280 1.427 20 5 CDBDHM Cc1[nH]ncc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000224999698 140174988 /nfs/dbraw/zinc/17/49/88/140174988.db2.gz LFKYJSZBWLMHRL-UHFFFAOYSA-N -1 3 276.252 1.262 20 5 CDBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])c[nH]c1=O ZINC000358946718 158079441 /nfs/dbraw/zinc/07/94/41/158079441.db2.gz LYFMEKICRMIMQJ-UHFFFAOYSA-N -1 3 276.208 1.048 20 5 CDBDHM C[C@H](CCO)Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589834777 1173190798 /nfs/dbraw/zinc/19/07/98/1173190798.db2.gz KHVRDTNIXPZEHL-SSDOTTSWSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@H](CCO)Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589834777 1173190792 /nfs/dbraw/zinc/19/07/92/1173190792.db2.gz KHVRDTNIXPZEHL-SSDOTTSWSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C(C)(C)O ZINC001589983653 1173220659 /nfs/dbraw/zinc/22/06/59/1173220659.db2.gz WUOZMCZLFFLPBW-SSDOTTSWSA-N -1 3 292.299 1.346 20 5 CDBDHM Cc1[n-][nH]c(=O)c1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000557569322 290353346 /nfs/dbraw/zinc/35/33/46/290353346.db2.gz GODMZRAKQXPGSW-MRVPVSSYSA-N -1 3 280.259 1.658 20 5 CDBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCF ZINC000134519162 518203193 /nfs/dbraw/zinc/20/31/93/518203193.db2.gz FVRGUQGPOUGVDI-UHFFFAOYSA-N -1 3 262.262 1.233 20 5 CDBDHM CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184742339 522096252 /nfs/dbraw/zinc/09/62/52/522096252.db2.gz ZXHFDCHDCJVKQW-NSHDSACASA-N -1 3 293.323 1.467 20 5 CDBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000049358340 525581164 /nfs/dbraw/zinc/58/11/64/525581164.db2.gz QCGNURXMZQYSEQ-MRVPVSSYSA-N -1 3 270.310 1.672 20 5 CDBDHM CC[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736349343 575633991 /nfs/dbraw/zinc/63/39/91/575633991.db2.gz FSQYLEKLHGMGKR-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736349343 575633994 /nfs/dbraw/zinc/63/39/94/575633994.db2.gz FSQYLEKLHGMGKR-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CC[C@@H](COC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736352244 575636103 /nfs/dbraw/zinc/63/61/03/575636103.db2.gz JRASPFVVYZCARB-VIFPVBQESA-N -1 3 292.299 1.612 20 5 CDBDHM CC[C@@H](COC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736352244 575636106 /nfs/dbraw/zinc/63/61/06/575636106.db2.gz JRASPFVVYZCARB-VIFPVBQESA-N -1 3 292.299 1.612 20 5 CDBDHM COCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736979646 575782368 /nfs/dbraw/zinc/78/23/68/575782368.db2.gz STHXBLLUKBITPD-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM COCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736979646 575782370 /nfs/dbraw/zinc/78/23/70/575782370.db2.gz STHXBLLUKBITPD-MRVPVSSYSA-N -1 3 292.299 1.612 20 5 CDBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCc1cccnc1 ZINC000152555121 631238035 /nfs/dbraw/zinc/23/80/35/631238035.db2.gz QQCTXAMPLCSKRQ-UHFFFAOYSA-N -1 3 287.275 1.780 20 5 CDBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2CCO)c1 ZINC001608914337 1164682751 /nfs/dbraw/zinc/68/27/51/1164682751.db2.gz MDOXBCPZLLURFT-GFCCVEGCSA-N -1 3 294.307 1.640 20 5 CDBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](C)O ZINC001609194837 1164836802 /nfs/dbraw/zinc/83/68/02/1164836802.db2.gz PJFCUCWWAOSCAX-OIBJUYFYSA-N -1 3 292.299 1.346 20 5 CDBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](C)O ZINC001609194837 1164836804 /nfs/dbraw/zinc/83/68/04/1164836804.db2.gz PJFCUCWWAOSCAX-OIBJUYFYSA-N -1 3 292.299 1.346 20 5 CDBDHM Cn1cc(CNCc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC001610604499 1165375321 /nfs/dbraw/zinc/37/53/21/1165375321.db2.gz LCVQIPBAZIHMQB-UHFFFAOYSA-N -1 3 289.291 1.921 20 5 CDBDHM CC1(F)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590141290 1173269206 /nfs/dbraw/zinc/26/92/06/1173269206.db2.gz ABWPLGWGADGSKF-UHFFFAOYSA-N -1 3 278.247 1.323 20 5 CDBDHM CC1(F)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590141290 1173269209 /nfs/dbraw/zinc/26/92/09/1173269209.db2.gz ABWPLGWGADGSKF-UHFFFAOYSA-N -1 3 278.247 1.323 20 5 CDBDHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590317263 1173351958 /nfs/dbraw/zinc/35/19/58/1173351958.db2.gz WMTNFZNZKHYEGS-HTQZYQBOSA-N -1 3 289.299 1.262 20 5 CDBDHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590317263 1173351966 /nfs/dbraw/zinc/35/19/66/1173351966.db2.gz WMTNFZNZKHYEGS-HTQZYQBOSA-N -1 3 289.299 1.262 20 5 CDBDHM CCC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590365408 1173374287 /nfs/dbraw/zinc/37/42/87/1173374287.db2.gz MSSOSVBGDYGGCO-UHFFFAOYSA-N -1 3 277.240 1.228 20 5 CDBDHM CCC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590365408 1173374295 /nfs/dbraw/zinc/37/42/95/1173374295.db2.gz MSSOSVBGDYGGCO-UHFFFAOYSA-N -1 3 277.240 1.228 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CC(F)(F)C1 ZINC001593469922 1174079130 /nfs/dbraw/zinc/07/91/30/1174079130.db2.gz CKVYPASRSRZRHG-UHFFFAOYSA-N -1 3 296.237 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CC(F)(F)C1 ZINC001593469922 1174079136 /nfs/dbraw/zinc/07/91/36/1174079136.db2.gz CKVYPASRSRZRHG-UHFFFAOYSA-N -1 3 296.237 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C=CCC1 ZINC001593470677 1174079351 /nfs/dbraw/zinc/07/93/51/1174079351.db2.gz KDXSREHCTHNXFT-MRVPVSSYSA-N -1 3 273.256 1.300 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C=CCC1 ZINC001593470677 1174079355 /nfs/dbraw/zinc/07/93/55/1174079355.db2.gz KDXSREHCTHNXFT-MRVPVSSYSA-N -1 3 273.256 1.300 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H]1C1CC1 ZINC001593467814 1174080120 /nfs/dbraw/zinc/08/01/20/1174080120.db2.gz DNKRHNHTSVYAKO-JTQLQIEISA-N -1 3 286.295 1.764 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H]1C1CC1 ZINC001593467814 1174080123 /nfs/dbraw/zinc/08/01/23/1174080123.db2.gz DNKRHNHTSVYAKO-JTQLQIEISA-N -1 3 286.295 1.764 20 5 CDBDHM CCC(=O)NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001057821231 849453981 /nfs/dbraw/zinc/45/39/81/849453981.db2.gz JCXNDQOJFMKXBS-UHFFFAOYSA-N -1 3 294.311 1.190 20 5 CDBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](C2OCCO2)C1 ZINC000931997624 850150887 /nfs/dbraw/zinc/15/08/87/850150887.db2.gz LPIRDUIQHZEXHG-JTQLQIEISA-N -1 3 294.307 1.495 20 5 CDBDHM CO[C@@H](C)CCOc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227689707 906426693 /nfs/dbraw/zinc/42/66/93/906426693.db2.gz CDJJCDJVRCTQSM-ZETCQYMHSA-N -1 3 266.257 1.670 20 5 CDBDHM C/C=C(/C)C(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093544743 909947487 /nfs/dbraw/zinc/94/74/87/909947487.db2.gz SXPXSCKGKSAMEX-BAQGIRSFSA-N -1 3 280.284 1.190 20 5 CDBDHM CC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001094039377 910275812 /nfs/dbraw/zinc/27/58/12/910275812.db2.gz JRQYNAHZADMHQI-UHFFFAOYSA-N -1 3 294.311 1.414 20 5 CDBDHM NCc1nccnc1[N-]c1ncnc2cccc([N+](=O)[O-])c21 ZINC001160251273 938777752 /nfs/dbraw/zinc/77/77/52/938777752.db2.gz VXQRIVQIANBJIN-UHFFFAOYSA-N -1 3 297.278 1.530 20 5 CDBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(=O)[n-]cn1 ZINC001226944703 942099244 /nfs/dbraw/zinc/09/92/44/942099244.db2.gz IGDZCYFLICSYLA-ZETCQYMHSA-N -1 3 279.256 1.063 20 5 CDBDHM O=[N+]([O-])c1cnc(OC[C@H]2CCCO2)c2[n-]cnc21 ZINC001227693000 942206066 /nfs/dbraw/zinc/20/60/66/942206066.db2.gz ILCUMZOHBXKITE-SSDOTTSWSA-N -1 3 264.241 1.424 20 5 CDBDHM O=[N+]([O-])c1cc2[n-]c(OC3COCOC3)nc2cc1Cl ZINC001233498242 943602180 /nfs/dbraw/zinc/60/21/80/943602180.db2.gz LBAYIDTZZICJTB-UHFFFAOYSA-N -1 3 299.670 1.876 20 5 CDBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nnc([C@H]2CCOC2)o1 ZINC001255588043 948015096 /nfs/dbraw/zinc/01/50/96/948015096.db2.gz ZKCBTPLAFUCCPH-LURJTMIESA-N -1 3 278.224 1.249 20 5 CDBDHM CC[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)[O-] ZINC001589554680 948778434 /nfs/dbraw/zinc/77/84/34/948778434.db2.gz UOMFEFJSPACHHT-QMMMGPOBSA-N -1 3 293.279 1.936 20 5 CDBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1nncn1C ZINC001330664818 956551190 /nfs/dbraw/zinc/55/11/90/956551190.db2.gz IICKYDZZLFESCO-ZETCQYMHSA-N -1 3 278.272 1.040 20 5 CDBDHM COc1ccc(CC(=O)[N-]OC(C)(C)C)cc1[N+](=O)[O-] ZINC001319817759 958739344 /nfs/dbraw/zinc/73/93/44/958739344.db2.gz VXHAKAUUYPEKIN-UHFFFAOYSA-N -1 3 282.296 1.992 20 5 CDBDHM C[C@H]1OCC[C@]1(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594640779 986790873 /nfs/dbraw/zinc/79/08/73/986790873.db2.gz UCZONUOTHWOQEA-OTYXRUKQSA-N -1 3 294.307 1.950 20 5 CDBDHM O=C([N-]c1nc(CCO)cs1)c1ccc([N+](=O)[O-])s1 ZINC000590392532 342542432 /nfs/dbraw/zinc/54/24/32/342542432.db2.gz RSLWCPFUVKVIGA-UHFFFAOYSA-N -1 3 299.333 1.900 20 5 CDBDHM CC[C@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCOC1 ZINC000616487722 342110944 /nfs/dbraw/zinc/11/09/44/342110944.db2.gz QIRJRJBPECPZJW-ZDUSSCGKSA-N -1 3 266.297 1.959 20 5 CDBDHM CC1(C)CN[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592273087 342682701 /nfs/dbraw/zinc/68/27/01/342682701.db2.gz CJFRENMGNKDCCN-SNVBAGLBSA-N -1 3 299.714 1.890 20 5 CDBDHM CC(C)N(CC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593745694 342827683 /nfs/dbraw/zinc/82/76/83/342827683.db2.gz ZRKLJDPIOWZTPX-UHFFFAOYSA-N -1 3 292.295 1.766 20 5 CDBDHM C[C@@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000158191840 342278005 /nfs/dbraw/zinc/27/80/05/342278005.db2.gz YAYMJJTZPDCTGY-PSASIEDQSA-N -1 3 294.311 1.583 20 5 CDBDHM O=C(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCCCC1 ZINC000596080495 343219525 /nfs/dbraw/zinc/21/95/25/343219525.db2.gz GKTLXRKGRZGSJH-UHFFFAOYSA-N -1 3 294.311 1.510 20 5 CDBDHM C[C@@H](CO)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596176751 343261181 /nfs/dbraw/zinc/26/11/81/343261181.db2.gz DLCHVSVXKFQACM-MRVPVSSYSA-N -1 3 255.274 1.516 20 5 CDBDHM C[S@@](=O)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596221204 343270412 /nfs/dbraw/zinc/27/04/12/343270412.db2.gz BYYJSTREFUTRAE-GOSISDBHSA-N -1 3 271.298 1.018 20 5 CDBDHM CC(C)(CO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596249072 343273979 /nfs/dbraw/zinc/27/39/79/343273979.db2.gz BRWHEADNOHASKV-UHFFFAOYSA-N -1 3 255.274 1.516 20 5 CDBDHM O=c1[n-]ccc(N[C@@H]2CC23CCOCC3)c1[N+](=O)[O-] ZINC000596257001 343276357 /nfs/dbraw/zinc/27/63/57/343276357.db2.gz GDQIPYVNBDDGSH-SECBINFHSA-N -1 3 265.269 1.676 20 5 CDBDHM Cc1ccc(CNCc2cnc(C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000344335105 362569766 /nfs/dbraw/zinc/56/97/66/362569766.db2.gz RATLHARCYPVDEK-UHFFFAOYSA-N -1 3 288.307 1.997 20 5 CDBDHM CN(CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1 ZINC000062010542 362966676 /nfs/dbraw/zinc/96/66/76/362966676.db2.gz POWZNIAFNJJTOR-UHFFFAOYSA-N -1 3 279.296 1.799 20 5 CDBDHM O=c1cc(COc2cccnc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC000412981816 362987320 /nfs/dbraw/zinc/98/73/20/362987320.db2.gz HBYQKBPKEGKLPG-UHFFFAOYSA-N -1 3 288.263 1.942 20 5 CDBDHM CC(C)CO[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000123112636 187071854 /nfs/dbraw/zinc/07/18/54/187071854.db2.gz YOVIZUCICIAFNR-UHFFFAOYSA-N -1 3 283.240 1.820 20 5 CDBDHM CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000037064515 363345476 /nfs/dbraw/zinc/34/54/76/363345476.db2.gz NHIGRDFVAIPNRK-UHFFFAOYSA-N -1 3 278.717 1.937 20 5 CDBDHM O=c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000336843360 356296644 /nfs/dbraw/zinc/29/66/44/356296644.db2.gz WRLAFPUETNFZOE-UHFFFAOYSA-N -1 3 295.276 1.496 20 5 CDBDHM COCCCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000288051725 359153258 /nfs/dbraw/zinc/15/32/58/359153258.db2.gz IOBKZNBHEKFNDH-UHFFFAOYSA-N -1 3 282.296 1.530 20 5 CDBDHM Cc1cc(S(=O)(=O)[N-]CC(F)F)cc([N+](=O)[O-])c1F ZINC000137152506 364020217 /nfs/dbraw/zinc/02/02/17/364020217.db2.gz IBHWIPYFZMRSEC-UHFFFAOYSA-N -1 3 298.242 1.586 20 5 CDBDHM O=C([N-]c1nncn1-c1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000563948221 365332246 /nfs/dbraw/zinc/33/22/46/365332246.db2.gz RGCVXJSIUYWYLH-UHFFFAOYSA-N -1 3 299.250 1.151 20 5 CDBDHM CC/C=C/C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295493472 370395970 /nfs/dbraw/zinc/39/59/70/370395970.db2.gz NJGMYVLYDXYMIN-ONEGZZNKSA-N -1 3 288.300 1.978 20 5 CDBDHM CO[N-]C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000156241326 375045305 /nfs/dbraw/zinc/04/53/05/375045305.db2.gz NJTMKOKOFNCOGM-UHFFFAOYSA-N -1 3 275.058 1.649 20 5 CDBDHM CCOCCO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492744143 253285542 /nfs/dbraw/zinc/28/55/42/253285542.db2.gz WRLVCTSAICDNRK-XQRVVYSFSA-N -1 3 298.270 1.831 20 5 CDBDHM O=C([N-]c1nc[nH]n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130023924 391145065 /nfs/dbraw/zinc/14/50/65/391145065.db2.gz KMZXFJQTYXBYMZ-UHFFFAOYSA-N -1 3 284.235 1.513 20 5 CDBDHM O=C([O-])C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262602307 131238743 /nfs/dbraw/zinc/23/87/43/131238743.db2.gz ACOXBHFVISRHOK-UHFFFAOYSA-N -1 3 294.307 1.770 20 5 CDBDHM O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccccc1[O-] ZINC000180692501 140018034 /nfs/dbraw/zinc/01/80/34/140018034.db2.gz BNTPIHSURSLTDO-UHFFFAOYSA-N -1 3 262.225 1.136 20 5 CDBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(O)c1 ZINC000120937418 147351959 /nfs/dbraw/zinc/35/19/59/147351959.db2.gz GALVXBMERRCKIB-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM Cc1noc2ncc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])cc12 ZINC000343724683 152279837 /nfs/dbraw/zinc/27/98/37/152279837.db2.gz ACXAYDZXUASWMR-UHFFFAOYSA-N -1 3 288.223 1.415 20 5 CDBDHM C=C=CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588466961 1173069161 /nfs/dbraw/zinc/06/91/61/1173069161.db2.gz XXGOQLYAPREFKA-UHFFFAOYSA-N -1 3 258.241 1.528 20 5 CDBDHM C=C=CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588466961 1173069170 /nfs/dbraw/zinc/06/91/70/1173069170.db2.gz XXGOQLYAPREFKA-UHFFFAOYSA-N -1 3 258.241 1.528 20 5 CDBDHM Cn1cnnc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000163045532 303033477 /nfs/dbraw/zinc/03/34/77/303033477.db2.gz VZWGMAQRMJQFDH-UHFFFAOYSA-N -1 3 281.659 1.629 20 5 CDBDHM CN1CCC(ONC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000773539992 575821529 /nfs/dbraw/zinc/82/15/29/575821529.db2.gz DVJKEUIBHCTMEN-UHFFFAOYSA-N -1 3 295.295 1.056 20 5 CDBDHM C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820715740 606417422 /nfs/dbraw/zinc/41/74/22/606417422.db2.gz DZJHFFWJPRXCHM-QMMMGPOBSA-N -1 3 274.284 1.764 20 5 CDBDHM C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820715740 606417423 /nfs/dbraw/zinc/41/74/23/606417423.db2.gz DZJHFFWJPRXCHM-QMMMGPOBSA-N -1 3 274.284 1.764 20 5 CDBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001604467491 1163193767 /nfs/dbraw/zinc/19/37/67/1163193767.db2.gz LHSPYUKSFPKRSP-IRUJWGPZSA-N -1 3 294.307 1.423 20 5 CDBDHM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609128592 1164783576 /nfs/dbraw/zinc/78/35/76/1164783576.db2.gz QBAJSEGFEQXLLZ-HTQZYQBOSA-N -1 3 292.299 1.346 20 5 CDBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CC1 ZINC001609375033 1164915618 /nfs/dbraw/zinc/91/56/18/1164915618.db2.gz XFQWWDNOURUWDP-SSDOTTSWSA-N -1 3 274.284 1.985 20 5 CDBDHM O=C(OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001609575458 1164992821 /nfs/dbraw/zinc/99/28/21/1164992821.db2.gz OWNHKPHQRHOZKJ-UHFFFAOYSA-N -1 3 289.251 1.228 20 5 CDBDHM O=C(OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001609575458 1164992827 /nfs/dbraw/zinc/99/28/27/1164992827.db2.gz OWNHKPHQRHOZKJ-UHFFFAOYSA-N -1 3 289.251 1.228 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCCOC1 ZINC001609601412 1164998556 /nfs/dbraw/zinc/99/85/56/1164998556.db2.gz KLPDPSAJJYRQGF-SECBINFHSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCCOC1 ZINC001609601412 1164998560 /nfs/dbraw/zinc/99/85/60/1164998560.db2.gz KLPDPSAJJYRQGF-SECBINFHSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](F)C1 ZINC001609599870 1164998882 /nfs/dbraw/zinc/99/88/82/1164998882.db2.gz FPWVOSHLPJODSM-VIFPVBQESA-N -1 3 292.274 1.713 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](F)C1 ZINC001609599870 1164998891 /nfs/dbraw/zinc/99/88/91/1164998891.db2.gz FPWVOSHLPJODSM-VIFPVBQESA-N -1 3 292.274 1.713 20 5 CDBDHM CC(C)C1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589519598 1173153620 /nfs/dbraw/zinc/15/36/20/1173153620.db2.gz ZXXDMJAJOYJCDQ-UHFFFAOYSA-N -1 3 288.311 1.867 20 5 CDBDHM CC(C)C1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589519598 1173153624 /nfs/dbraw/zinc/15/36/24/1173153624.db2.gz ZXXDMJAJOYJCDQ-UHFFFAOYSA-N -1 3 288.311 1.867 20 5 CDBDHM C[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590276433 1173335742 /nfs/dbraw/zinc/33/57/42/1173335742.db2.gz NVCRPDVBPQTZBO-ZETCQYMHSA-N -1 3 292.274 1.760 20 5 CDBDHM C[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590276433 1173335748 /nfs/dbraw/zinc/33/57/48/1173335748.db2.gz NVCRPDVBPQTZBO-ZETCQYMHSA-N -1 3 292.274 1.760 20 5 CDBDHM CC[C@@H]1C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590860204 1173531160 /nfs/dbraw/zinc/53/11/60/1173531160.db2.gz KSDNJUKBGRQWIF-SFYZADRCSA-N -1 3 289.299 1.628 20 5 CDBDHM CC[C@@H]1C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590860204 1173531165 /nfs/dbraw/zinc/53/11/65/1173531165.db2.gz KSDNJUKBGRQWIF-SFYZADRCSA-N -1 3 289.299 1.628 20 5 CDBDHM CC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590860565 1173532059 /nfs/dbraw/zinc/53/20/59/1173532059.db2.gz RLEGZVFVQQBTDC-HZGVNTEJSA-N -1 3 275.272 1.380 20 5 CDBDHM CC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590860565 1173532063 /nfs/dbraw/zinc/53/20/63/1173532063.db2.gz RLEGZVFVQQBTDC-HZGVNTEJSA-N -1 3 275.272 1.380 20 5 CDBDHM C[C@@]1(O)C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001591777148 1173699979 /nfs/dbraw/zinc/69/99/79/1173699979.db2.gz DWAMOSNZIAUFNR-LYWQIFSTSA-N -1 3 290.283 1.100 20 5 CDBDHM C[C@@]1(O)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001591777148 1173699982 /nfs/dbraw/zinc/69/99/82/1173699982.db2.gz DWAMOSNZIAUFNR-LYWQIFSTSA-N -1 3 290.283 1.100 20 5 CDBDHM Cc1cn(Cc2cccc(-c3nnn[n-]3)c2)nc1[N+](=O)[O-] ZINC001592287321 1173845958 /nfs/dbraw/zinc/84/59/58/1173845958.db2.gz GKSILAYUXYFUQN-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM Cc1cn(Cc2cccc(-c3nn[n-]n3)c2)nc1[N+](=O)[O-] ZINC001592287321 1173845961 /nfs/dbraw/zinc/84/59/61/1173845961.db2.gz GKSILAYUXYFUQN-UHFFFAOYSA-N -1 3 285.267 1.328 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1CC2(CC2)C1 ZINC001593468313 1174079954 /nfs/dbraw/zinc/07/99/54/1174079954.db2.gz CWGWSKKNDNFBSD-UHFFFAOYSA-N -1 3 290.258 1.514 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1CC2(CC2)C1 ZINC001593468313 1174079961 /nfs/dbraw/zinc/07/99/61/1174079961.db2.gz CWGWSKKNDNFBSD-UHFFFAOYSA-N -1 3 290.258 1.514 20 5 CDBDHM O=C([O-])C[C@]1(NCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC001601936388 1175073679 /nfs/dbraw/zinc/07/36/79/1175073679.db2.gz YAEIIKHUMKFEOW-CYBMUJFWSA-N -1 3 280.280 1.318 20 5 CDBDHM CCCCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093523201 909901461 /nfs/dbraw/zinc/90/14/61/909901461.db2.gz LZFXUYIGDGLGJA-UHFFFAOYSA-N -1 3 296.327 1.804 20 5 CDBDHM Nc1cc[nH]c(=O)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818469 925854829 /nfs/dbraw/zinc/85/48/29/925854829.db2.gz AZTWKODWNFHYIZ-UHFFFAOYSA-N -1 3 262.225 1.727 20 5 CDBDHM O=C(N[C@H]1CN2CCC1CC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001120687405 937825937 /nfs/dbraw/zinc/82/59/37/937825937.db2.gz OMUOUZAWSSUNKP-ZDUSSCGKSA-N -1 3 291.307 1.124 20 5 CDBDHM Cc1nc(NCCCc2c[n-][nH]c2=O)ccc1[N+](=O)[O-] ZINC001156279182 938345338 /nfs/dbraw/zinc/34/53/38/938345338.db2.gz SZEZLTMTQYDYED-VIFPVBQESA-N -1 3 277.284 1.222 20 5 CDBDHM Cc1ncc(Nc2nccc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001162303377 938975651 /nfs/dbraw/zinc/97/56/51/938975651.db2.gz QRFAXITXRCGMQO-GFCCVEGCSA-N -1 3 297.274 1.953 20 5 CDBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cnccn1 ZINC001225664718 941895843 /nfs/dbraw/zinc/89/58/43/941895843.db2.gz RYZMUBZEJGTGHO-SSDOTTSWSA-N -1 3 262.225 1.625 20 5 CDBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ncccn1 ZINC001225661659 941896234 /nfs/dbraw/zinc/89/62/34/941896234.db2.gz NSGATWBDDRRPGS-SSDOTTSWSA-N -1 3 262.225 1.625 20 5 CDBDHM CCN1CC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227740968 942215989 /nfs/dbraw/zinc/21/59/89/942215989.db2.gz FFMKFYHAWGHBDP-UHFFFAOYSA-N -1 3 262.269 1.554 20 5 CDBDHM CCN1CC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227740968 942215992 /nfs/dbraw/zinc/21/59/92/942215992.db2.gz FFMKFYHAWGHBDP-UHFFFAOYSA-N -1 3 262.269 1.554 20 5 CDBDHM NN1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227746981 942218581 /nfs/dbraw/zinc/21/85/81/942218581.db2.gz XJCKMERJSXBFRH-UHFFFAOYSA-N -1 3 277.284 1.188 20 5 CDBDHM NN1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227746981 942218583 /nfs/dbraw/zinc/21/85/83/942218583.db2.gz XJCKMERJSXBFRH-UHFFFAOYSA-N -1 3 277.284 1.188 20 5 CDBDHM C=CC(=O)OC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686613 942357981 /nfs/dbraw/zinc/35/79/81/942357981.db2.gz PGACGOCECGESAP-ZETCQYMHSA-N -1 3 282.252 1.500 20 5 CDBDHM COCCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774765 949183621 /nfs/dbraw/zinc/18/36/21/949183621.db2.gz AMBNPVGSJBDXHR-UHFFFAOYSA-N -1 3 286.259 1.267 20 5 CDBDHM Cc1ncc([N+](=O)[O-])cc1Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001249545092 949657483 /nfs/dbraw/zinc/65/74/83/949657483.db2.gz COOKAEOQAVFSLZ-UHFFFAOYSA-N -1 3 292.211 1.641 20 5 CDBDHM CC(C)[C@]1(CO)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001330060062 956257223 /nfs/dbraw/zinc/25/72/23/956257223.db2.gz LHPCLDKAJXONFY-CYBMUJFWSA-N -1 3 281.312 1.540 20 5 CDBDHM O=c1[n-]ccc(N2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001330668345 956553503 /nfs/dbraw/zinc/55/35/03/956553503.db2.gz ZSQRRGQDYRDRHD-GFCCVEGCSA-N -1 3 265.269 1.047 20 5 CDBDHM Cc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc(=O)[n-]1 ZINC001334168514 958899556 /nfs/dbraw/zinc/89/95/56/958899556.db2.gz PAIOJLNMKDHPQU-UHFFFAOYSA-N -1 3 286.291 1.962 20 5 CDBDHM C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC000235362778 960421437 /nfs/dbraw/zinc/42/14/37/960421437.db2.gz VQUHCOCNTRIKRM-PSASIEDQSA-N -1 3 282.271 1.886 20 5 CDBDHM CN1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000601186106 342489443 /nfs/dbraw/zinc/48/94/43/342489443.db2.gz GNFRXBNWWFRSAA-UHFFFAOYSA-N -1 3 266.301 1.226 20 5 CDBDHM CCC(O)(CC)CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599190219 343977422 /nfs/dbraw/zinc/97/74/22/343977422.db2.gz ADJBDXVALRZCTP-UHFFFAOYSA-N -1 3 269.301 1.683 20 5 CDBDHM CN(C[C@H]1CCC[C@@H]1O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596173891 343260221 /nfs/dbraw/zinc/26/02/21/343260221.db2.gz BRJNUJQIWRMXOX-SCZZXKLOSA-N -1 3 267.285 1.293 20 5 CDBDHM C[C@@H]1CSCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596207531 343266425 /nfs/dbraw/zinc/26/64/25/343266425.db2.gz UGQDYOPJTARXGR-QMMMGPOBSA-N -1 3 269.326 1.885 20 5 CDBDHM CCOC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596223900 343271545 /nfs/dbraw/zinc/27/15/45/343271545.db2.gz UBPNQSHKCOMODX-UHFFFAOYSA-N -1 3 255.274 1.922 20 5 CDBDHM CO[C@@H]1COCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596253802 343275516 /nfs/dbraw/zinc/27/55/16/343275516.db2.gz XBVXUAXSDJMAOQ-WCBMZHEXSA-N -1 3 283.284 1.159 20 5 CDBDHM Cc1cnn([C@@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596236743 343282567 /nfs/dbraw/zinc/28/25/67/343282567.db2.gz PZUGFALNXYMHLT-SNVBAGLBSA-N -1 3 289.295 1.652 20 5 CDBDHM Cc1cc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)no1 ZINC000344230001 362558512 /nfs/dbraw/zinc/55/85/12/362558512.db2.gz IQNQFTOREWOYLC-UHFFFAOYSA-N -1 3 265.200 1.705 20 5 CDBDHM CN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000123353607 187086492 /nfs/dbraw/zinc/08/64/92/187086492.db2.gz VFHOZULJTXRAGB-SECBINFHSA-N -1 3 279.296 1.124 20 5 CDBDHM CC[C@@H](O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000156843276 188284325 /nfs/dbraw/zinc/28/43/25/188284325.db2.gz KENNHIZLDZMTIA-SECBINFHSA-N -1 3 288.325 1.034 20 5 CDBDHM COc1cc(CNc2nc(C)no2)c([N+](=O)[O-])cc1[O-] ZINC000181518266 357355256 /nfs/dbraw/zinc/35/52/56/357355256.db2.gz VJFWVRJBDOWADN-UHFFFAOYSA-N -1 3 280.240 1.613 20 5 CDBDHM C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1C ZINC000262413829 358821119 /nfs/dbraw/zinc/82/11/19/358821119.db2.gz QUTSUXQAZOYGJK-IUCAKERBSA-N -1 3 279.296 1.123 20 5 CDBDHM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1 ZINC000408316385 359029967 /nfs/dbraw/zinc/02/99/67/359029967.db2.gz BIIBSMWIPGKDCL-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM O=[N+]([O-])c1cc(F)c([N-]c2ccn(CCO)n2)c(F)c1 ZINC000562454734 359996206 /nfs/dbraw/zinc/99/62/06/359996206.db2.gz OJVGXKPQLSMIRO-UHFFFAOYSA-N -1 3 284.222 1.227 20 5 CDBDHM C[C@](O)(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000582008204 364060256 /nfs/dbraw/zinc/06/02/56/364060256.db2.gz CZOIHAYBXUDPOA-AWEZNQCLSA-N -1 3 294.307 1.395 20 5 CDBDHM Cc1cnc(OCc2n[n-]c(=O)s2)c([N+](=O)[O-])c1 ZINC000573077642 364924604 /nfs/dbraw/zinc/92/46/04/364924604.db2.gz WJEUMOOMYCXMNZ-UHFFFAOYSA-N -1 3 268.254 1.434 20 5 CDBDHM Cc1cc([N-]C(=O)[C@H](C)n2cc([N+](=O)[O-])c(C)n2)on1 ZINC000272329723 367679498 /nfs/dbraw/zinc/67/94/98/367679498.db2.gz DFMPLOXMUDLHEZ-QMMMGPOBSA-N -1 3 279.256 1.596 20 5 CDBDHM CN(C[C@H]1CCCN1C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211417899 373937904 /nfs/dbraw/zinc/93/79/04/373937904.db2.gz RRAMJEYKOYBHEF-LLVKDONJSA-N -1 3 293.323 1.823 20 5 CDBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000283926276 375127854 /nfs/dbraw/zinc/12/78/54/375127854.db2.gz DXKBLBFTONDLGP-UHFFFAOYSA-N -1 3 298.242 1.744 20 5 CDBDHM Cc1cc(N(C)C[C@@H](C)c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC000132897915 375629769 /nfs/dbraw/zinc/62/97/69/375629769.db2.gz FQBJZCACUNOMKN-MRVPVSSYSA-N -1 3 277.288 1.051 20 5 CDBDHM Cc1cc(N(C)C[C@@H](C)c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC000132897915 375629775 /nfs/dbraw/zinc/62/97/75/375629775.db2.gz FQBJZCACUNOMKN-MRVPVSSYSA-N -1 3 277.288 1.051 20 5 CDBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]OC1CCOCC1 ZINC000492656596 253265393 /nfs/dbraw/zinc/26/53/93/253265393.db2.gz YIHPVOFIIHQHIZ-ZZXKWVIFSA-N -1 3 292.291 1.835 20 5 CDBDHM CCOC([O-])=NOCCOc1ccccc1[N+](=O)[O-] ZINC000497110195 254018954 /nfs/dbraw/zinc/01/89/54/254018954.db2.gz FQUNBOATXZLJHQ-UHFFFAOYSA-N -1 3 270.241 1.651 20 5 CDBDHM CCOC(=O)[N-]OCCOc1ccccc1[N+](=O)[O-] ZINC000497110195 254018956 /nfs/dbraw/zinc/01/89/56/254018956.db2.gz FQUNBOATXZLJHQ-UHFFFAOYSA-N -1 3 270.241 1.651 20 5 CDBDHM COCc1nnc(Sc2cc(C)c([N+](=O)[O-])cn2)[n-]1 ZINC000268520373 132021077 /nfs/dbraw/zinc/02/10/77/132021077.db2.gz ZVDDYAUXUUKGLQ-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM COCc1nc(Sc2cc(C)c([N+](=O)[O-])cn2)n[n-]1 ZINC000268520373 132021079 /nfs/dbraw/zinc/02/10/79/132021079.db2.gz ZVDDYAUXUUKGLQ-UHFFFAOYSA-N -1 3 281.297 1.714 20 5 CDBDHM CCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000233354515 140225349 /nfs/dbraw/zinc/22/53/49/140225349.db2.gz JJBNTWPMFLIGPU-QMMMGPOBSA-N -1 3 253.258 1.366 20 5 CDBDHM O=C(Nc1ccc2[nH]cnc2c1)c1cc([N+](=O)[O-])cnc1[O-] ZINC000352628786 155314401 /nfs/dbraw/zinc/31/44/01/155314401.db2.gz CDVUSLNITOWQBL-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM O=C(Nc1ccc2[nH]cnc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352628786 155314404 /nfs/dbraw/zinc/31/44/04/155314404.db2.gz CDVUSLNITOWQBL-UHFFFAOYSA-N -1 3 299.246 1.824 20 5 CDBDHM O=C(NCCN1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355377841 157014470 /nfs/dbraw/zinc/01/44/70/157014470.db2.gz JBVJRLLTGKRZOR-UHFFFAOYSA-N -1 3 279.296 1.126 20 5 CDBDHM O=[N+]([O-])c1cccnc1NCc1nnc(C(F)(F)F)[n-]1 ZINC000359669265 158329674 /nfs/dbraw/zinc/32/96/74/158329674.db2.gz FFZFYVQNOAYTHB-UHFFFAOYSA-N -1 3 288.189 1.739 20 5 CDBDHM O=[N+]([O-])c1cccnc1NCc1n[n-]c(C(F)(F)F)n1 ZINC000359669265 158329675 /nfs/dbraw/zinc/32/96/75/158329675.db2.gz FFZFYVQNOAYTHB-UHFFFAOYSA-N -1 3 288.189 1.739 20 5 CDBDHM O=[N+]([O-])c1cccnc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000359669265 158329679 /nfs/dbraw/zinc/32/96/79/158329679.db2.gz FFZFYVQNOAYTHB-UHFFFAOYSA-N -1 3 288.189 1.739 20 5 CDBDHM COc1cc(CN[C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000189338874 270276679 /nfs/dbraw/zinc/27/66/79/270276679.db2.gz DIWSEUCUDKLDRU-STQMWFEESA-N -1 3 296.323 1.558 20 5 CDBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c([O-])c1 ZINC000526941953 270648227 /nfs/dbraw/zinc/64/82/27/270648227.db2.gz FXTXOOQKHFYDJR-UHFFFAOYSA-N -1 3 291.263 1.900 20 5 CDBDHM O=[N+]([O-])c1cccc(F)c1[N-]c1ccn(CCO)n1 ZINC000553074399 290092761 /nfs/dbraw/zinc/09/27/61/290092761.db2.gz GPTFKRRQWHHCBV-UHFFFAOYSA-N -1 3 266.232 1.088 20 5 CDBDHM CC[C@@H](COC)NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000568883758 294120165 /nfs/dbraw/zinc/12/01/65/294120165.db2.gz SVANKCWYYCLUQS-JTQLQIEISA-N -1 3 284.312 1.824 20 5 CDBDHM CC[C@@H](O)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590856949 1173528568 /nfs/dbraw/zinc/52/85/68/1173528568.db2.gz JJAUVBCDAFMNBN-ZCFIWIBFSA-N -1 3 296.262 1.097 20 5 CDBDHM CC[C@@H](O)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590856949 1173528574 /nfs/dbraw/zinc/52/85/74/1173528574.db2.gz JJAUVBCDAFMNBN-ZCFIWIBFSA-N -1 3 296.262 1.097 20 5 CDBDHM O=C([N-]c1cnns1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000570113875 316914869 /nfs/dbraw/zinc/91/48/69/316914869.db2.gz CAKCCMNLNXFTEM-UHFFFAOYSA-N -1 3 294.248 1.427 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCOC2)c(-c2nnn[n-]2)c1 ZINC000738371731 574520896 /nfs/dbraw/zinc/52/08/96/574520896.db2.gz XLVYQUFAVKPNIY-QMMMGPOBSA-N -1 3 290.283 1.366 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCOC2)c(-c2nn[n-]n2)c1 ZINC000738371731 574520897 /nfs/dbraw/zinc/52/08/97/574520897.db2.gz XLVYQUFAVKPNIY-QMMMGPOBSA-N -1 3 290.283 1.366 20 5 CDBDHM COc1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000733911686 575143437 /nfs/dbraw/zinc/14/34/37/575143437.db2.gz HFGMPCGRWFYCHX-UHFFFAOYSA-N -1 3 292.226 1.785 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccccn2)c(-c2nnn[n-]2)c1 ZINC000738373452 576064006 /nfs/dbraw/zinc/06/40/06/576064006.db2.gz CYAHUIPNJWVIQT-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2ccccn2)c(-c2nn[n-]n2)c1 ZINC000738373452 576064010 /nfs/dbraw/zinc/06/40/10/576064010.db2.gz CYAHUIPNJWVIQT-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@H](CCO)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820248974 599082299 /nfs/dbraw/zinc/08/22/99/599082299.db2.gz QCBCIFSSYSZQMU-SSDOTTSWSA-N -1 3 295.324 1.638 20 5 CDBDHM C[C@H](CCO)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820248974 599082302 /nfs/dbraw/zinc/08/23/02/599082302.db2.gz QCBCIFSSYSZQMU-SSDOTTSWSA-N -1 3 295.324 1.638 20 5 CDBDHM O=C([O-])C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351203 597368890 /nfs/dbraw/zinc/36/88/90/597368890.db2.gz JKDUVZVYHRNZCK-CYBMUJFWSA-N -1 3 294.307 1.425 20 5 CDBDHM CS[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826225778 607733638 /nfs/dbraw/zinc/73/36/38/607733638.db2.gz KVKXYETXADNFKL-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM CS[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826225778 607733639 /nfs/dbraw/zinc/73/36/39/607733639.db2.gz KVKXYETXADNFKL-ZETCQYMHSA-N -1 3 294.340 1.938 20 5 CDBDHM O=[N+]([O-])c1ccnn1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826500686 608397916 /nfs/dbraw/zinc/39/79/16/608397916.db2.gz IAFLVAVILYLNDG-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=[N+]([O-])c1ccnn1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826500686 608397917 /nfs/dbraw/zinc/39/79/17/608397917.db2.gz IAFLVAVILYLNDG-UHFFFAOYSA-N -1 3 289.230 1.159 20 5 CDBDHM O=C([O-])C1(CN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000903962532 626161197 /nfs/dbraw/zinc/16/11/97/626161197.db2.gz IURZMTGUSHBUQN-UHFFFAOYSA-N -1 3 276.292 1.818 20 5 CDBDHM C[C@@H](NC1CC1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001604329956 1163153227 /nfs/dbraw/zinc/15/32/27/1163153227.db2.gz MTJZAKXXVWMAGK-SSDOTTSWSA-N -1 3 293.279 1.372 20 5 CDBDHM O=[N+]([O-])c1cc(N[C@@H]2C[C@H]2C2CC2)ccc1-c1nnn[n-]1 ZINC001609600978 1164999555 /nfs/dbraw/zinc/99/95/55/1164999555.db2.gz MDXLALLKZDJSJR-WDEREUQCSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1ccc(Sc2ncco2)c(-c2nnn[n-]2)c1 ZINC001609602016 1165001101 /nfs/dbraw/zinc/00/11/01/1165001101.db2.gz BQAMRHPTFMUSMU-UHFFFAOYSA-N -1 3 290.264 1.914 20 5 CDBDHM O=[N+]([O-])c1ccc(Sc2ncco2)c(-c2nn[n-]n2)c1 ZINC001609602016 1165001104 /nfs/dbraw/zinc/00/11/04/1165001104.db2.gz BQAMRHPTFMUSMU-UHFFFAOYSA-N -1 3 290.264 1.914 20 5 CDBDHM CC[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590440196 1173411695 /nfs/dbraw/zinc/41/16/95/1173411695.db2.gz XGYRCQUXYVEKIA-QMMMGPOBSA-N -1 3 292.299 1.348 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccnn1 ZINC001593470254 1174078118 /nfs/dbraw/zinc/07/81/18/1174078118.db2.gz IVDRXEZVKLBUMU-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccnn1 ZINC001593470254 1174078125 /nfs/dbraw/zinc/07/81/25/1174078125.db2.gz IVDRXEZVKLBUMU-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1C1CC1 ZINC001593469882 1174079621 /nfs/dbraw/zinc/07/96/21/1174079621.db2.gz BFRVLLLNOMTMAL-GXSJLCMTSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1C1CC1 ZINC001593469882 1174079626 /nfs/dbraw/zinc/07/96/26/1174079626.db2.gz BFRVLLLNOMTMAL-GXSJLCMTSA-N -1 3 286.295 1.985 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001593470907 1174080988 /nfs/dbraw/zinc/08/09/88/1174080988.db2.gz QBEPAGUWHQIVBD-VXNVDRBHSA-N -1 3 287.283 1.016 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001593470907 1174080992 /nfs/dbraw/zinc/08/09/92/1174080992.db2.gz QBEPAGUWHQIVBD-VXNVDRBHSA-N -1 3 287.283 1.016 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC001593475774 1174081593 /nfs/dbraw/zinc/08/15/93/1174081593.db2.gz FFCWUZZUVUBDSS-OCAPTIKFSA-N -1 3 272.268 1.231 20 5 CDBDHM O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC001593475774 1174081599 /nfs/dbraw/zinc/08/15/99/1174081599.db2.gz FFCWUZZUVUBDSS-OCAPTIKFSA-N -1 3 272.268 1.231 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1C[C@H]1C1CC1 ZINC001593473266 1174082257 /nfs/dbraw/zinc/08/22/57/1174082257.db2.gz TWFZXZRASDGGLZ-DTWKUNHWSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1C[C@H]1C1CC1 ZINC001593473266 1174082261 /nfs/dbraw/zinc/08/22/61/1174082261.db2.gz TWFZXZRASDGGLZ-DTWKUNHWSA-N -1 3 287.283 1.380 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC23CC3)c(-c2nnn[n-]2)c1 ZINC001593478478 1174082950 /nfs/dbraw/zinc/08/29/50/1174082950.db2.gz IUIBTHNDUZYDNB-SNVBAGLBSA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC23CC3)c(-c2nn[n-]n2)c1 ZINC001593478478 1174082955 /nfs/dbraw/zinc/08/29/55/1174082955.db2.gz IUIBTHNDUZYDNB-SNVBAGLBSA-N -1 3 272.268 1.739 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001593484751 1174084984 /nfs/dbraw/zinc/08/49/84/1174084984.db2.gz HPYSTXIORKIAQJ-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM O=[N+]([O-])c1cnc(NCc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001593484751 1174084989 /nfs/dbraw/zinc/08/49/89/1174084989.db2.gz HPYSTXIORKIAQJ-UHFFFAOYSA-N -1 3 298.266 1.177 20 5 CDBDHM C[C@@H](CCO)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001603495812 1175559044 /nfs/dbraw/zinc/55/90/44/1175559044.db2.gz VLCRHYBTQPGRAF-QMMMGPOBSA-N -1 3 292.299 1.205 20 5 CDBDHM C[C@@H](CCO)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001603495812 1175559050 /nfs/dbraw/zinc/55/90/50/1175559050.db2.gz VLCRHYBTQPGRAF-QMMMGPOBSA-N -1 3 292.299 1.205 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NC1CCCC1 ZINC001607080960 1164070645 /nfs/dbraw/zinc/07/06/45/1164070645.db2.gz WCLYNRITMVVAPO-UHFFFAOYSA-N -1 3 275.272 1.524 20 5 CDBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NC1CCCC1 ZINC001607080960 1164070654 /nfs/dbraw/zinc/07/06/54/1164070654.db2.gz WCLYNRITMVVAPO-UHFFFAOYSA-N -1 3 275.272 1.524 20 5 CDBDHM CCOC(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])OCC ZINC000853522288 712370278 /nfs/dbraw/zinc/37/02/78/712370278.db2.gz LYMQSWINLGBNLU-UHFFFAOYSA-N -1 3 285.300 1.897 20 5 CDBDHM COc1cc(C(=O)[N-]c2nonc2C)ccc1[N+](=O)[O-] ZINC000170799551 712406886 /nfs/dbraw/zinc/40/68/86/712406886.db2.gz ADKDBVCZOCETLI-UHFFFAOYSA-N -1 3 278.224 1.547 20 5 CDBDHM CC[C@H](C)CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609184760 1164826769 /nfs/dbraw/zinc/82/67/69/1164826769.db2.gz NZYKWYGTYUPFTR-QMMMGPOBSA-N -1 3 291.315 1.652 20 5 CDBDHM CC[C@H](C)CN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609184760 1164826776 /nfs/dbraw/zinc/82/67/76/1164826776.db2.gz NZYKWYGTYUPFTR-QMMMGPOBSA-N -1 3 291.315 1.652 20 5 CDBDHM O=C([O-])C[C@@]1(NCc2ccccc2[N+](=O)[O-])CCCOC1 ZINC001610759469 1165431818 /nfs/dbraw/zinc/43/18/18/1165431818.db2.gz RLHQEFSJAPQTNS-AWEZNQCLSA-N -1 3 294.307 1.708 20 5 CDBDHM O=C(/C=C/C1CC1)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093573415 909975214 /nfs/dbraw/zinc/97/52/14/909975214.db2.gz MYHYIWNFXKLIRH-ONEGZZNKSA-N -1 3 292.295 1.190 20 5 CDBDHM CCCC(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107010214 917794355 /nfs/dbraw/zinc/79/43/55/917794355.db2.gz VUJFCUHJORBPQB-ONEGZZNKSA-N -1 3 294.311 1.580 20 5 CDBDHM Cc1cnc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001156279109 938345264 /nfs/dbraw/zinc/34/52/64/938345264.db2.gz RJIAYQQFUJMHEX-SECBINFHSA-N -1 3 277.284 1.222 20 5 CDBDHM Cc1cc(C)c([N+](=O)[O-])c(Nc2cnc(C)[n-]c2=O)n1 ZINC001162301909 938975145 /nfs/dbraw/zinc/97/51/45/938975145.db2.gz WHMNQUPMECTATJ-SECBINFHSA-N -1 3 275.268 1.417 20 5 CDBDHM CC1(C)COC(=O)[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227747005 942217642 /nfs/dbraw/zinc/21/76/42/942217642.db2.gz XMIINLOCMOFYFD-SNVBAGLBSA-N -1 3 291.263 1.802 20 5 CDBDHM CC1(C)COC(=O)[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227747005 942217647 /nfs/dbraw/zinc/21/76/47/942217647.db2.gz XMIINLOCMOFYFD-SNVBAGLBSA-N -1 3 291.263 1.802 20 5 CDBDHM Cc1[n-]c(=O)cc(O[C@H]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC001228688659 942359510 /nfs/dbraw/zinc/35/95/10/942359510.db2.gz MHOPOGZISXUGRN-APPZFPTMSA-N -1 3 268.269 1.808 20 5 CDBDHM O=[N+]([O-])C[C@@H](Oc1ccc2occ([O-])c2c1)C1CC1 ZINC001233680748 943638967 /nfs/dbraw/zinc/63/89/67/943638967.db2.gz NDTOCTITTACUFY-CYBMUJFWSA-N -1 3 263.249 1.696 20 5 CDBDHM O=C([O-])CCC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587444 947542711 /nfs/dbraw/zinc/54/27/11/947542711.db2.gz XGWDZPWIVIJCEM-NSHDSACASA-N -1 3 292.291 1.086 20 5 CDBDHM C[C@@H](C(=O)[O-])[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001327323884 954827207 /nfs/dbraw/zinc/82/72/07/954827207.db2.gz SUULZKPLLQCUNO-SFYZADRCSA-N -1 3 293.279 1.935 20 5 CDBDHM CCCN(C)c1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC001343623459 964065856 /nfs/dbraw/zinc/06/58/56/964065856.db2.gz SBGUEGVJOYJWCZ-UHFFFAOYSA-N -1 3 292.299 1.337 20 5 CDBDHM O=c1[nH][n-]cc1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000601195405 342488881 /nfs/dbraw/zinc/48/88/81/342488881.db2.gz NEPYJLTXYWMQAE-QMMMGPOBSA-N -1 3 280.259 1.658 20 5 CDBDHM COc1cc(CN[C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000592379621 342687171 /nfs/dbraw/zinc/68/71/71/342687171.db2.gz RMTOEKGZCAPTCT-WPRPVWTQSA-N -1 3 282.296 1.576 20 5 CDBDHM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCN3)no2)cc1[O-] ZINC000592357240 342688272 /nfs/dbraw/zinc/68/82/72/342688272.db2.gz XXQJETTYSSVUMH-MRVPVSSYSA-N -1 3 276.252 1.775 20 5 CDBDHM O=c1cc(CSc2ncccc2[N+](=O)[O-])occ1[O-] ZINC000126870198 342155874 /nfs/dbraw/zinc/15/58/74/342155874.db2.gz QFNNTSWFGYRQQE-UHFFFAOYSA-N -1 3 280.261 1.941 20 5 CDBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc([O-])c1F ZINC000534209033 282168892 /nfs/dbraw/zinc/16/88/92/282168892.db2.gz DLMWRVVTTIPJIL-UHFFFAOYSA-N -1 3 294.242 1.583 20 5 CDBDHM CCOC(=O)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596070982 343225095 /nfs/dbraw/zinc/22/50/95/343225095.db2.gz KLDXITZQSFLPPC-UHFFFAOYSA-N -1 3 269.257 1.451 20 5 CDBDHM CC(C)NC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596070709 343225189 /nfs/dbraw/zinc/22/51/89/343225189.db2.gz IZFURUAJBNTQLS-UHFFFAOYSA-N -1 3 268.273 1.022 20 5 CDBDHM CN(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)(F)F ZINC000596126511 343237225 /nfs/dbraw/zinc/23/72/25/343237225.db2.gz VBPGYWBQYGSCTB-UHFFFAOYSA-N -1 3 294.233 1.601 20 5 CDBDHM O=C(NCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC1 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/nfs/dbraw/zinc/07/87/80/358078780.db2.gz FQZXBGIPJFSUNL-UHFFFAOYSA-N -1 3 299.283 1.693 20 5 CDBDHM CCc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n(C)n1 ZINC000193591556 358307405 /nfs/dbraw/zinc/30/74/05/358307405.db2.gz WXEYAOFDTBTELY-UHFFFAOYSA-N -1 3 291.267 1.244 20 5 CDBDHM COc1ccc([N+](=O)[O-])cc1C[N-]C(=O)C(F)F ZINC000194343972 358361973 /nfs/dbraw/zinc/36/19/73/358361973.db2.gz LRPHNLXDBWUFMK-UHFFFAOYSA-N -1 3 260.196 1.485 20 5 CDBDHM COc1ccc(CN2CC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000062936268 358729593 /nfs/dbraw/zinc/72/95/93/358729593.db2.gz AIZBPKKETXCAGL-AWEZNQCLSA-N -1 3 294.307 1.900 20 5 CDBDHM CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179395238 366534773 /nfs/dbraw/zinc/53/47/73/366534773.db2.gz ZDPNVZKSBQQXDK-UHFFFAOYSA-N -1 3 279.296 1.124 20 5 CDBDHM CCc1coc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000582078211 364067278 /nfs/dbraw/zinc/06/72/78/364067278.db2.gz BQAPUJQSHRYVBK-UHFFFAOYSA-N -1 3 278.224 1.498 20 5 CDBDHM CCN(CC(=O)[O-])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000038017848 364286801 /nfs/dbraw/zinc/28/68/01/364286801.db2.gz OSLKRPUVPCCKIG-UHFFFAOYSA-N -1 3 268.269 1.510 20 5 CDBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CC12CC2 ZINC000416651243 242087224 /nfs/dbraw/zinc/08/72/24/242087224.db2.gz RMOPEDVDTIAXKW-SNVBAGLBSA-N -1 3 296.348 1.982 20 5 CDBDHM O=c1[n-]cnc2c1CN(c1ccccc1[N+](=O)[O-])CC2 ZINC000301758695 374264018 /nfs/dbraw/zinc/26/40/18/374264018.db2.gz AQLPIYYFRNLOFY-UHFFFAOYSA-N -1 3 272.264 1.653 20 5 CDBDHM CCCc1[nH]nc(C(=O)[N-]c2n[nH]c(CC)n2)c1[N+](=O)[O-] ZINC000125789868 375056273 /nfs/dbraw/zinc/05/62/73/375056273.db2.gz QDGNDROJOLITDV-UHFFFAOYSA-N -1 3 293.287 1.203 20 5 CDBDHM CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162680901 375398514 /nfs/dbraw/zinc/39/85/14/375398514.db2.gz YNCMNXXTYLLUHS-UHFFFAOYSA-N -1 3 298.242 1.912 20 5 CDBDHM Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1O ZINC000174940462 379613850 /nfs/dbraw/zinc/61/38/50/379613850.db2.gz MAAISRQXJPWOEH-UHFFFAOYSA-N -1 3 289.247 1.962 20 5 CDBDHM Cc1nc([N-]C(=O)c2ccccc2[N+](=O)[O-])nn1C ZINC000344552001 152569275 /nfs/dbraw/zinc/56/92/75/152569275.db2.gz FPWOAWRBUIATGJ-UHFFFAOYSA-N -1 3 261.241 1.284 20 5 CDBDHM Cc1csc(N(C)C(=O)c2cc([N+](=O)[O-])n[n-]2)n1 ZINC000352689341 155368781 /nfs/dbraw/zinc/36/87/81/155368781.db2.gz MHCVPULZKNZZOA-UHFFFAOYSA-N -1 3 267.270 1.359 20 5 CDBDHM CCCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000038021604 174000851 /nfs/dbraw/zinc/00/08/51/174000851.db2.gz UYDRKODSKYBUGY-UHFFFAOYSA-N -1 3 282.296 1.900 20 5 CDBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CC1 ZINC000044771898 175250650 /nfs/dbraw/zinc/25/06/50/175250650.db2.gz LEHWFLZYMLDWRS-UHFFFAOYSA-N -1 3 290.728 1.937 20 5 CDBDHM CCC(CC)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590436023 1173407198 /nfs/dbraw/zinc/40/71/98/1173407198.db2.gz ZGKIHHSIPYRWEY-UHFFFAOYSA-N -1 3 277.288 1.770 20 5 CDBDHM CCC(CC)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590436023 1173407210 /nfs/dbraw/zinc/40/72/10/1173407210.db2.gz ZGKIHHSIPYRWEY-UHFFFAOYSA-N -1 3 277.288 1.770 20 5 CDBDHM CC[C@@H](C(=O)[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000191396876 280084443 /nfs/dbraw/zinc/08/44/43/280084443.db2.gz DNUGNFHCPBGGBT-NSHDSACASA-N -1 3 293.323 1.580 20 5 CDBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(F)F)cc1[N+](=O)[O-] ZINC000559138263 290436793 /nfs/dbraw/zinc/43/67/93/290436793.db2.gz FFUVIGFBVBWDJF-UHFFFAOYSA-N -1 3 294.279 1.837 20 5 CDBDHM C[C@@H](CC(=O)[O-])N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000568649505 294077812 /nfs/dbraw/zinc/07/78/12/294077812.db2.gz SQMMGYYEELMZGZ-VIFPVBQESA-N -1 3 252.270 1.890 20 5 CDBDHM O=C(CNCC1CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000236581447 526880695 /nfs/dbraw/zinc/88/06/95/526880695.db2.gz VDNVNRVJPHKRIN-UHFFFAOYSA-N -1 3 265.269 1.239 20 5 CDBDHM Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001600304688 1174441358 /nfs/dbraw/zinc/44/13/58/1174441358.db2.gz GJPNDYSXJLGPPK-DGCLKSJQSA-N -1 3 294.307 1.171 20 5 CDBDHM CCC[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736436466 575660587 /nfs/dbraw/zinc/66/05/87/575660587.db2.gz RFHVNONUZGXEAY-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM CCC[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736436466 575660590 /nfs/dbraw/zinc/66/05/90/575660590.db2.gz RFHVNONUZGXEAY-VIFPVBQESA-N -1 3 292.299 1.348 20 5 CDBDHM O=C([O-])[C@@H]1CCN(CC[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC001601825928 1175023607 /nfs/dbraw/zinc/02/36/07/1175023607.db2.gz XCDKSHHCFCXLQD-MXWKQRLJSA-N -1 3 256.302 1.228 20 5 CDBDHM C[C@@H](CCO)Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820248765 599082259 /nfs/dbraw/zinc/08/22/59/599082259.db2.gz NKXNDSCMSPTFEO-LURJTMIESA-N -1 3 296.312 1.033 20 5 CDBDHM O=[N+]([O-])c1cnc(NC2CC=CC2)c(-c2nnn[n-]2)c1 ZINC000823650919 607119978 /nfs/dbraw/zinc/11/99/78/607119978.db2.gz DHJXYXZIUKFODX-UHFFFAOYSA-N -1 3 273.256 1.300 20 5 CDBDHM O=[N+]([O-])c1cnc(NC2CC=CC2)c(-c2nn[n-]n2)c1 ZINC000823650919 607119980 /nfs/dbraw/zinc/11/99/80/607119980.db2.gz DHJXYXZIUKFODX-UHFFFAOYSA-N -1 3 273.256 1.300 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OCC1(O)CCC1 ZINC000826499393 607876791 /nfs/dbraw/zinc/87/67/91/607876791.db2.gz HEFXKKLCWXOASR-UHFFFAOYSA-N -1 3 291.267 1.069 20 5 CDBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OCC1(O)CCC1 ZINC000826499393 607876792 /nfs/dbraw/zinc/87/67/92/607876792.db2.gz HEFXKKLCWXOASR-UHFFFAOYSA-N -1 3 291.267 1.069 20 5 CDBDHM CC(COC(=O)c1ccc(C(=O)[O-])cc1F)[N+](=O)[O-] ZINC001604204478 1163124853 /nfs/dbraw/zinc/12/48/53/1163124853.db2.gz ZUDDOUBYWABROV-ZCFIWIBFSA-N -1 3 271.200 1.346 20 5 CDBDHM O=C([O-])[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC001608814950 1164646164 /nfs/dbraw/zinc/64/61/64/1164646164.db2.gz ITFUFIAPVIKSJY-GXSJLCMTSA-N -1 3 284.243 1.066 20 5 CDBDHM C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590265755 1173329435 /nfs/dbraw/zinc/32/94/35/1173329435.db2.gz XJODGXJHEVTTJA-MRVPVSSYSA-N -1 3 274.284 1.764 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCF)c(-c2nnn[n-]2)c1 ZINC001593478612 1174082708 /nfs/dbraw/zinc/08/27/08/1174082708.db2.gz WUAOTMBCGDTQPV-UHFFFAOYSA-N -1 3 252.209 1.156 20 5 CDBDHM O=[N+]([O-])c1ccc(NCCF)c(-c2nn[n-]n2)c1 ZINC001593478612 1174082713 /nfs/dbraw/zinc/08/27/13/1174082713.db2.gz WUAOTMBCGDTQPV-UHFFFAOYSA-N -1 3 252.209 1.156 20 5 CDBDHM CC1(C)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603766369 1175623547 /nfs/dbraw/zinc/62/35/47/1175623547.db2.gz LBZVJPLKAVVQQU-QMMMGPOBSA-N -1 3 289.299 1.628 20 5 CDBDHM CC1(C)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603766369 1175623551 /nfs/dbraw/zinc/62/35/51/1175623551.db2.gz LBZVJPLKAVVQQU-QMMMGPOBSA-N -1 3 289.299 1.628 20 5 CDBDHM