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O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2nccn2c1 ZINC000186024242 368907495 /nfs/dbraw/zinc/90/74/95/368907495.db2.gz ARZNFBLQECODPU-UHFFFAOYSA-N 0 2 298.258 2.200 20 5 CEBDLN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCS1 ZINC000187477891 369166661 /nfs/dbraw/zinc/16/66/61/369166661.db2.gz IXEMZFOBZIIKKY-JTQLQIEISA-N 0 2 296.348 2.268 20 5 CEBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)co1 ZINC000188923457 369428763 /nfs/dbraw/zinc/42/87/63/369428763.db2.gz JUJOESDNZXPDBH-UHFFFAOYSA-N 0 2 262.221 2.454 20 5 CEBDLN COCCCCc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000350647218 369562096 /nfs/dbraw/zinc/56/20/96/369562096.db2.gz RDXBCINOINXXNA-UHFFFAOYSA-N 0 2 293.279 2.320 20 5 CEBDLN CCN(CC1CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233452032 370519539 /nfs/dbraw/zinc/51/95/39/370519539.db2.gz LJIBXAJRQRLRDW-UHFFFAOYSA-N 0 2 264.281 2.173 20 5 CEBDLN C[C@H]1[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1(F)F ZINC000361662644 372014063 /nfs/dbraw/zinc/01/40/63/372014063.db2.gz QYYABQYLIBTBPB-SSDLBLMSSA-N 0 2 272.207 2.140 20 5 CEBDLN CC[C@H](C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC ZINC000362977115 372601474 /nfs/dbraw/zinc/60/14/74/372601474.db2.gz OSNIMSYPBUROJY-ZANVPECISA-N 0 2 296.323 2.091 20 5 CEBDLN CC(C)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274702779 374017595 /nfs/dbraw/zinc/01/75/95/374017595.db2.gz QMSBSXNEMDHKLJ-SECBINFHSA-N 0 2 266.297 2.417 20 5 CEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(C1)CCCC2 ZINC000372364073 374106879 /nfs/dbraw/zinc/10/68/79/374106879.db2.gz DYQPGLKTLFLXLD-UHFFFAOYSA-N 0 2 276.292 2.317 20 5 CEBDLN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444683 304187747 /nfs/dbraw/zinc/18/77/47/304187747.db2.gz WSKQIHVBDHHPGI-SNVBAGLBSA-N 0 2 284.699 2.297 20 5 CEBDLN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444683 304187749 /nfs/dbraw/zinc/18/77/49/304187749.db2.gz WSKQIHVBDHHPGI-SNVBAGLBSA-N 0 2 284.699 2.297 20 5 CEBDLN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000380715149 375165568 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XQNZVFYPUIUIMM-NSHDSACASA-N 0 2 289.335 2.439 20 5 CEBDLN O=C(Nc1cc2c(cn1)CCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000359789638 155128538 /nfs/dbraw/zinc/12/85/38/155128538.db2.gz KNVPHNVGIUVKEQ-UHFFFAOYSA-N 0 2 299.286 2.436 20 5 CEBDLN O=C(Nc1ccc2nn[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000176727314 165172221 /nfs/dbraw/zinc/17/22/21/165172221.db2.gz MFYKRTJJYBDRRQ-UHFFFAOYSA-N 0 2 283.247 2.118 20 5 CEBDLN C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000285166899 196211825 /nfs/dbraw/zinc/21/18/25/196211825.db2.gz CGBLNJAYAWICGS-OQPBUACISA-N 0 2 286.278 2.076 20 5 CEBDLN CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000277827100 280095885 /nfs/dbraw/zinc/09/58/85/280095885.db2.gz XDRJOBLCXGOWNU-GWCFXTLKSA-N 0 2 294.307 2.300 20 5 CEBDLN O=C(/C=C\c1cccnc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000255024475 280465005 /nfs/dbraw/zinc/46/50/05/280465005.db2.gz PQAUHVTZUZIPDB-UTCJRWHESA-N 0 2 285.259 2.347 20 5 CEBDLN C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000444477834 281607972 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CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000598234014 346312855 /nfs/dbraw/zinc/31/28/55/346312855.db2.gz PCOYOQFRWSJHGD-LLVKDONJSA-N 0 2 264.281 2.219 20 5 CEBDLN CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598504692 346367108 /nfs/dbraw/zinc/36/71/08/346367108.db2.gz MVSPKBKBTRRVPB-UHFFFAOYSA-N 0 2 264.281 2.219 20 5 CEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(C1CC1)C1CC1 ZINC000600358891 346635548 /nfs/dbraw/zinc/63/55/48/346635548.db2.gz ICYSWPUASZNPEP-UHFFFAOYSA-N 0 2 262.265 2.067 20 5 CEBDLN C[C@@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1=O ZINC000356302445 370649339 /nfs/dbraw/zinc/64/93/39/370649339.db2.gz ZXFUZXLVEQVKMC-BDAKNGLRSA-N 0 2 292.291 2.244 20 5 CEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCSC1 ZINC000362963704 303998836 /nfs/dbraw/zinc/99/88/36/303998836.db2.gz ORTDFRYCFTYOOE-MRVPVSSYSA-N 0 2 282.321 2.382 20 5 CEBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1F ZINC000611508269 347787957 /nfs/dbraw/zinc/78/79/57/347787957.db2.gz HJEHEEJHRLACRY-PSASIEDQSA-N 0 2 282.271 2.121 20 5 CEBDLN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000611534674 347792375 /nfs/dbraw/zinc/79/23/75/347792375.db2.gz KWTLMYHXDLSDPS-MRVPVSSYSA-N 0 2 264.281 2.076 20 5 CEBDLN CC[C@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)O1 ZINC000271472772 191158654 /nfs/dbraw/zinc/15/86/54/191158654.db2.gz IUXUIMNPEKFWST-CABZTGNLSA-N 0 2 280.280 2.197 20 5 CEBDLN CC[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000452762218 283377464 /nfs/dbraw/zinc/37/74/64/283377464.db2.gz DSPVCNOHNWFXHC-BDAKNGLRSA-N 0 2 264.281 2.076 20 5 CEBDLN O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000017356173 361509501 /nfs/dbraw/zinc/50/95/01/361509501.db2.gz BVATYHOZYKVZKZ-UHFFFAOYSA-N 0 2 272.260 2.230 20 5 CEBDLN Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000027649754 361657564 /nfs/dbraw/zinc/65/75/64/361657564.db2.gz OCQMMVUERDDECH-UHFFFAOYSA-N 0 2 273.248 2.256 20 5 CEBDLN CCCCO[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531722 363977941 /nfs/dbraw/zinc/97/79/41/363977941.db2.gz WCMDJDOTPDTESD-VIFPVBQESA-N 0 2 282.296 2.444 20 5 CEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000092548747 364080847 /nfs/dbraw/zinc/08/08/47/364080847.db2.gz RKISLARLYDZIIF-SSDOTTSWSA-N 0 2 250.254 2.285 20 5 CEBDLN C[C@@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@@H](C)O1 ZINC000092549193 364080988 /nfs/dbraw/zinc/08/09/88/364080988.db2.gz UMMDDGCMDHYTED-RKDXNWHRSA-N 0 2 294.307 2.443 20 5 CEBDLN C[C@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C[C@H](C)O1 ZINC000092549191 364081131 /nfs/dbraw/zinc/08/11/31/364081131.db2.gz UMMDDGCMDHYTED-IUCAKERBSA-N 0 2 294.307 2.443 20 5 CEBDLN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCS1 ZINC000163124132 367219741 /nfs/dbraw/zinc/21/97/41/367219741.db2.gz AODPUWHTGQOXEP-CYBMUJFWSA-N 0 2 296.348 2.316 20 5 CEBDLN Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1[N+](=O)[O-] ZINC000172192798 367695336 /nfs/dbraw/zinc/69/53/36/367695336.db2.gz CAMYYQLMTUBXCM-UHFFFAOYSA-N 0 2 293.304 2.099 20 5 CEBDLN CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000343880976 368056616 /nfs/dbraw/zinc/05/66/16/368056616.db2.gz RXEXYRUCLIXCEB-ZWNOBZJWSA-N 0 2 294.307 2.444 20 5 CEBDLN COC(C)(C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182051441 368519282 /nfs/dbraw/zinc/51/92/82/368519282.db2.gz OTPUJGACJWUVFX-VIFPVBQESA-N 0 2 296.323 2.234 20 5 CEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cn1 ZINC000183779025 368649581 /nfs/dbraw/zinc/64/95/81/368649581.db2.gz CEXZZGBAXMWRGX-UHFFFAOYSA-N 0 2 277.211 2.087 20 5 CEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(C2CC2)[nH]n1 ZINC000186011641 368905834 /nfs/dbraw/zinc/90/58/34/368905834.db2.gz KEPMUJZIUHPYHJ-UHFFFAOYSA-N 0 2 288.263 2.153 20 5 CEBDLN CCC1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1 ZINC000217316557 370193929 /nfs/dbraw/zinc/19/39/29/370193929.db2.gz AVSICGFKFMLNKF-UHFFFAOYSA-N 0 2 264.281 2.363 20 5 CEBDLN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)C ZINC000226561558 370346308 /nfs/dbraw/zinc/34/63/08/370346308.db2.gz IOYYUMLXUQCRHG-UHFFFAOYSA-N 0 2 252.270 2.171 20 5 CEBDLN Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000235921561 370580885 /nfs/dbraw/zinc/58/08/85/370580885.db2.gz UHULCVIFQRHUCD-UHFFFAOYSA-N 0 2 273.248 2.256 20 5 CEBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC1(C)C ZINC000331923797 204298038 /nfs/dbraw/zinc/29/80/38/204298038.db2.gz FYYXDEUWUZTRKT-LLVKDONJSA-N 0 2 264.281 2.171 20 5 CEBDLN O=C(CCOCC1CC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361655990 372007387 /nfs/dbraw/zinc/00/73/87/372007387.db2.gz RFAKDZBEGPCXGB-UHFFFAOYSA-N 0 2 280.280 2.056 20 5 CEBDLN CC(C)N(CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272418567 373473267 /nfs/dbraw/zinc/47/32/67/373473267.db2.gz PXIVDBCNLCNMME-UHFFFAOYSA-N 0 2 288.250 2.416 20 5 CEBDLN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)O1 ZINC000282451330 375487505 /nfs/dbraw/zinc/48/75/05/375487505.db2.gz KCZWHRKLHCDMPX-SXMVTHIZSA-N 0 2 280.280 2.052 20 5 CEBDLN CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000458138362 380020538 /nfs/dbraw/zinc/02/05/38/380020538.db2.gz QZAFJAKIEVDWIS-RISCZKNCSA-N 0 2 278.308 2.465 20 5 CEBDLN CCCCOCCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280735683 194952093 /nfs/dbraw/zinc/95/20/93/194952093.db2.gz JBYYPYJZGGTUJL-UHFFFAOYSA-N 0 2 296.323 2.237 20 5 CEBDLN O=C(NCC1(C2CC2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000281245607 195165035 /nfs/dbraw/zinc/16/50/35/195165035.db2.gz NVNATNBHUKIUHV-UHFFFAOYSA-N 0 2 276.292 2.220 20 5 CEBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1C ZINC000274650636 394800047 /nfs/dbraw/zinc/80/00/47/394800047.db2.gz CAOXASKWJPVQFT-RKDXNWHRSA-N 0 2 264.281 2.028 20 5 CEBDLN O=C(NCCc1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000194738378 395447263 /nfs/dbraw/zinc/44/72/63/395447263.db2.gz IHQUYITXBGMEPS-UHFFFAOYSA-N 0 2 292.316 2.334 20 5 CEBDLN COC[C@H](C)[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000360764601 155366559 /nfs/dbraw/zinc/36/65/59/155366559.db2.gz QLCIZMWDONZXEI-IUCAKERBSA-N 0 2 282.296 2.158 20 5 CEBDLN CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022623857 171394579 /nfs/dbraw/zinc/39/45/79/171394579.db2.gz MUTOVZRGSTWVCC-QMMMGPOBSA-N 0 2 252.270 2.219 20 5 CEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nccs1 ZINC000035686024 172353358 /nfs/dbraw/zinc/35/33/58/172353358.db2.gz PIAWOJNTMFWWNY-UHFFFAOYSA-N 0 2 299.333 2.161 20 5 CEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000236617599 304502639 /nfs/dbraw/zinc/50/26/39/304502639.db2.gz KINKDIFTBQBDRW-UHFFFAOYSA-N 0 2 284.271 2.456 20 5 CEBDLN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000184594235 262288208 /nfs/dbraw/zinc/28/82/08/262288208.db2.gz GBVPZSLOXIRGMF-UHFFFAOYSA-N 0 2 290.275 2.474 20 5 CEBDLN CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000397160065 270351628 /nfs/dbraw/zinc/35/16/28/270351628.db2.gz SGEWXRNGEQZFCY-OCCSQVGLSA-N 0 2 278.308 2.465 20 5 CEBDLN CCSCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436505272 271670415 /nfs/dbraw/zinc/67/04/15/271670415.db2.gz LZLSNKOXMTVMGT-UHFFFAOYSA-N 0 2 284.337 2.173 20 5 CEBDLN CCSCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436504369 271670700 /nfs/dbraw/zinc/67/07/00/271670700.db2.gz PDMWDWDDNYAXTQ-UHFFFAOYSA-N 0 2 284.337 2.173 20 5 CEBDLN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCS1 ZINC000075385699 288274149 /nfs/dbraw/zinc/27/41/49/288274149.db2.gz JWSPHHGFWUIUFM-JTQLQIEISA-N 0 2 296.348 2.268 20 5 CEBDLN CN1c2ccccc2C(=O)N[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000133715286 290319817 /nfs/dbraw/zinc/31/98/17/290319817.db2.gz IUHIQFLODNXRES-AWEZNQCLSA-N 0 2 299.286 2.179 20 5 CEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000184861469 304534487 /nfs/dbraw/zinc/53/44/87/304534487.db2.gz QQZSGUKVZAYRAR-AOOOYVTPSA-N 0 2 276.292 2.173 20 5 CEBDLN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc[nH+]1 ZINC000182009263 301361404 /nfs/dbraw/zinc/36/14/04/301361404.db2.gz XXRMSQKOSYFOON-UHFFFAOYSA-N 0 2 273.248 2.256 20 5 CEBDLN O=C(NCCc1ccsc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000192895462 534496485 /nfs/dbraw/zinc/49/64/85/534496485.db2.gz ONKZWQICTPNLQI-UHFFFAOYSA-N 0 2 292.316 2.334 20 5 CEBDLN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000899404522 632834221 /nfs/dbraw/zinc/83/42/21/632834221.db2.gz GTVSZKGXFWBTKP-LSKIRQOJSA-N 0 2 290.319 2.322 20 5 CEBDLN Cn1ccc2cccc(Cc3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)c21 ZINC000904170066 635489604 /nfs/dbraw/zinc/48/96/04/635489604.db2.gz SBXPEWXNIYHNQJ-VXGBXAGGSA-N 0 2 298.302 2.285 20 5 CEBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(c1ccccc1)C1CCC1 ZINC000876275256 650235222 /nfs/dbraw/zinc/23/52/22/650235222.db2.gz PAZLMMMGSSMRCM-CHWSQXEVSA-N 0 2 260.293 2.237 20 5 CEBDLN CCCCC[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000827799274 636425850 /nfs/dbraw/zinc/42/58/50/636425850.db2.gz WYEKMOISGNXTBP-GFCCVEGCSA-N 0 2 282.296 2.180 20 5 CEBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc([C@H]2Cc3ccc(F)cc32)no1 ZINC000867113403 637975962 /nfs/dbraw/zinc/97/59/62/637975962.db2.gz YYFCAMGQZGBZKB-HBNTYKKESA-N 0 2 275.239 2.029 20 5 CEBDLN Cc1c(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cccc1[N+](=O)[O-] ZINC000842506010 640085199 /nfs/dbraw/zinc/08/51/99/640085199.db2.gz AJPHNPPUQZJOLW-PSASIEDQSA-N 0 2 290.235 2.086 20 5 CEBDLN CC1(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CCCC1 ZINC000842505698 640085418 /nfs/dbraw/zinc/08/54/18/640085418.db2.gz AVJPGKGOJBYUJU-RKDXNWHRSA-N 0 2 251.286 2.325 20 5 CEBDLN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(F)C(F)(F)F ZINC000788135429 644180154 /nfs/dbraw/zinc/18/01/54/644180154.db2.gz ZFCFYGKEQJBPAD-VIFPVBQESA-N 0 2 294.204 2.454 20 5 CEBDLN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](F)C(F)(F)F ZINC000788135429 644180159 /nfs/dbraw/zinc/18/01/59/644180159.db2.gz ZFCFYGKEQJBPAD-VIFPVBQESA-N 0 2 294.204 2.454 20 5 CEBDLN O=C(Nc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001139980227 816155756 /nfs/dbraw/zinc/15/57/56/816155756.db2.gz KFKONNHYFVVENF-UHFFFAOYSA-N 0 2 298.258 2.200 20 5 CEBDLN CCC(CC)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000294624534 282116752 /nfs/dbraw/zinc/11/67/52/282116752.db2.gz KXYHDXVADLYRNW-UHFFFAOYSA-N 0 2 296.323 2.235 20 5 CEBDLN COc1cc([N+](=O)[O-])ccc1N1N=C2[C@H](C)CC[C@H]2C1=O ZINC000601936876 346932960 /nfs/dbraw/zinc/93/29/60/346932960.db2.gz WUNKBZPHVYOIQY-PSASIEDQSA-N 0 2 289.291 2.352 20 5 CEBDLN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)C(C)(C)OC2 ZINC000601942204 346935300 /nfs/dbraw/zinc/93/53/00/346935300.db2.gz HVVBAPVZAHGFCR-GFCCVEGCSA-N 0 2 289.291 2.031 20 5 CEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC(F)(F)C1 ZINC000593789935 345539244 /nfs/dbraw/zinc/53/92/44/345539244.db2.gz XXLDTKOAUWJFBV-UHFFFAOYSA-N 0 2 286.234 2.172 20 5 CEBDLN O=C(NC1(C2CCC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000593834860 345544451 /nfs/dbraw/zinc/54/44/51/345544451.db2.gz JSHYZNIZEMAIEK-UHFFFAOYSA-N 0 2 276.292 2.363 20 5 CEBDLN O=C(NC1(C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000593836868 345544533 /nfs/dbraw/zinc/54/45/33/345544533.db2.gz YTRWSSMGYYOFTL-UHFFFAOYSA-N 0 2 276.292 2.363 20 5 CEBDLN CCSC1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000598329966 346328613 /nfs/dbraw/zinc/32/86/13/346328613.db2.gz UXPBGXTWBAGSHV-UHFFFAOYSA-N 0 2 296.348 2.316 20 5 CEBDLN CC1(C)C[C@]1(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598388019 346344337 /nfs/dbraw/zinc/34/43/37/346344337.db2.gz WUOUFSMSQQMIGF-ZDUSSCGKSA-N 0 2 264.281 2.219 20 5 CEBDLN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H]1F ZINC000611535887 347792538 /nfs/dbraw/zinc/79/25/38/347792538.db2.gz FCLKEFBRUDALPL-KWQFWETISA-N 0 2 282.271 2.121 20 5 CEBDLN CCn1nc(C)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000612413379 347882077 /nfs/dbraw/zinc/88/20/77/347882077.db2.gz BZJLPKCWVLOUED-UHFFFAOYSA-N 0 2 290.279 2.078 20 5 CEBDLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000086816124 179344013 /nfs/dbraw/zinc/34/40/13/179344013.db2.gz SPOWHFRXDYPFGC-NSHDSACASA-N 0 2 270.310 2.095 20 5 CEBDLN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000086816124 179344015 /nfs/dbraw/zinc/34/40/15/179344015.db2.gz SPOWHFRXDYPFGC-NSHDSACASA-N 0 2 270.310 2.095 20 5 CEBDLN CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000153148460 188068074 /nfs/dbraw/zinc/06/80/74/188068074.db2.gz RMBLJWDCBFBHAX-VIFPVBQESA-N 0 2 264.281 2.173 20 5 CEBDLN CC[C@H](C)[C@@H](OC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356561535 370755897 /nfs/dbraw/zinc/75/58/97/370755897.db2.gz CTFPPCUZNJQTKV-QPUJVOFHSA-N 0 2 282.296 2.300 20 5 CEBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCSc2ccc(F)cc21 ZINC000365047626 296073559 /nfs/dbraw/zinc/07/35/59/296073559.db2.gz KWTLFVITNLOOPK-NXEZZACHSA-N 0 2 296.323 2.320 20 5 CEBDLN Cc1occc1CN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343275000 367739259 /nfs/dbraw/zinc/73/92/59/367739259.db2.gz SPMWFDCUNDDSTI-UHFFFAOYSA-N 0 2 290.275 2.474 20 5 CEBDLN C[C@@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184650989 368707705 /nfs/dbraw/zinc/70/77/05/368707705.db2.gz IVSPOZNHMGLCHC-QMMMGPOBSA-N 0 2 264.281 2.171 20 5 CEBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3ccncc3)no2)cc1O ZINC000350601115 369556109 /nfs/dbraw/zinc/55/61/09/369556109.db2.gz UYQIFPNTBYFRDV-UHFFFAOYSA-N 0 2 298.258 2.336 20 5 CEBDLN O=[N+]([O-])c1cc(Cl)c[nH]c1=NOC[C@H]1CCOC1 ZINC000276263025 193262664 /nfs/dbraw/zinc/26/26/64/193262664.db2.gz SUAVZOZWKQGRHJ-ZETCQYMHSA-N 0 2 273.676 2.023 20 5 CEBDLN O=[N+]([O-])c1cc(Cl)c[nH]c1=NOC[C@@H]1CCOC1 ZINC000276263022 193263300 /nfs/dbraw/zinc/26/33/00/193263300.db2.gz SUAVZOZWKQGRHJ-SSDOTTSWSA-N 0 2 273.676 2.023 20 5 CEBDLN C[C@@H]1CCSCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000190027888 369589554 /nfs/dbraw/zinc/58/95/54/369589554.db2.gz YBDVMBDPVIFTRO-SECBINFHSA-N 0 2 296.348 2.268 20 5 CEBDLN C[C@@H]1[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1(F)F ZINC000361662641 372012902 /nfs/dbraw/zinc/01/29/02/372012902.db2.gz QYYABQYLIBTBPB-ANLVUFKYSA-N 0 2 272.207 2.140 20 5 CEBDLN C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000380364804 375163212 /nfs/dbraw/zinc/16/32/12/375163212.db2.gz HNGJLNOUICFBBX-SECBINFHSA-N 0 2 296.348 2.268 20 5 CEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2CCC[C@@H]21 ZINC000408410023 375475000 /nfs/dbraw/zinc/47/50/00/375475000.db2.gz IEQAZLYCYMGAIF-SKDRFNHKSA-N 0 2 276.292 2.315 20 5 CEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2CCC[C@H]21 ZINC000408410020 375475023 /nfs/dbraw/zinc/47/50/23/375475023.db2.gz IEQAZLYCYMGAIF-BXKDBHETSA-N 0 2 276.292 2.315 20 5 CEBDLN O=c1[nH]nc(CCCNc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000432316008 377742527 /nfs/dbraw/zinc/74/25/27/377742527.db2.gz UFSOIXPPYJNOPM-UHFFFAOYSA-N 0 2 297.702 2.117 20 5 CEBDLN O=C(NCCC1(F)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000488694980 380121453 /nfs/dbraw/zinc/12/14/53/380121453.db2.gz GYIZLMOGGHUJHA-UHFFFAOYSA-N 0 2 282.271 2.313 20 5 CEBDLN C[C@H]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436914373 395162787 /nfs/dbraw/zinc/16/27/87/395162787.db2.gz LCCHFIUOOFBDKH-VHSXEESVSA-N 0 2 278.308 2.466 20 5 CEBDLN O=C(NC[C@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000184674629 395274039 /nfs/dbraw/zinc/27/40/39/395274039.db2.gz YWFPSXRAYDOURY-LLVKDONJSA-N 0 2 298.298 2.370 20 5 CEBDLN C[C@H]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000230688085 153397457 /nfs/dbraw/zinc/39/74/57/153397457.db2.gz AZTCLKOENRIMGB-VHSXEESVSA-N 0 2 278.308 2.466 20 5 CEBDLN C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000235321314 296731082 /nfs/dbraw/zinc/73/10/82/296731082.db2.gz HFFJJEDROAMISU-SCZZXKLOSA-N 0 2 264.281 2.219 20 5 CEBDLN O=C(Cc1ccoc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166080564 162346301 /nfs/dbraw/zinc/34/63/01/162346301.db2.gz YXBLJLXDTVNXCP-UHFFFAOYSA-N 0 2 262.221 2.075 20 5 CEBDLN COCc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000166190955 162346407 /nfs/dbraw/zinc/34/64/07/162346407.db2.gz SOWVRLFZSXYIAQ-UHFFFAOYSA-N 0 2 292.247 2.292 20 5 CEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCCCC1 ZINC000236560275 304500964 /nfs/dbraw/zinc/50/09/64/304500964.db2.gz NKPUNOCFVDYNDH-UHFFFAOYSA-N 0 2 264.281 2.317 20 5 CEBDLN CC1(C)CC[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000336813706 281115482 /nfs/dbraw/zinc/11/54/82/281115482.db2.gz VGNCZUSSPJLOMB-NSHDSACASA-N 0 2 264.281 2.219 20 5 CEBDLN CC(C)C(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566380406 298974876 /nfs/dbraw/zinc/97/48/76/298974876.db2.gz LQLMUHAKPKIBLH-UHFFFAOYSA-N 0 2 266.297 2.465 20 5 CEBDLN O=C(Cc1ccccc1O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182087587 312806243 /nfs/dbraw/zinc/80/62/43/312806243.db2.gz IFMXYAUDDHUGNU-UHFFFAOYSA-N 0 2 288.259 2.187 20 5 CEBDLN Cc1ccnc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000164241072 534402470 /nfs/dbraw/zinc/40/24/70/534402470.db2.gz GBNGXQOQDICUOV-UHFFFAOYSA-N 0 2 273.248 2.256 20 5 CEBDLN CCCCO[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183918946 520841959 /nfs/dbraw/zinc/84/19/59/520841959.db2.gz UCLKCJBHBLZVDC-SECBINFHSA-N 0 2 282.296 2.444 20 5 CEBDLN CO[C@H](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000184136031 523864855 /nfs/dbraw/zinc/86/48/55/523864855.db2.gz KZLMSPBTUDORGC-MRVPVSSYSA-N 0 2 268.269 2.054 20 5 CEBDLN CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179411291 528560769 /nfs/dbraw/zinc/56/07/69/528560769.db2.gz 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ZINC000184607952 262288308 /nfs/dbraw/zinc/28/83/08/262288308.db2.gz QYTKMMBJJCKLDE-UHFFFAOYSA-N 0 2 296.323 2.093 20 5 CEBDLN C[C@H]1C[C@H](C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000235718809 270315538 /nfs/dbraw/zinc/31/55/38/270315538.db2.gz SWVRDYIZXJZJDT-UWVGGRQHSA-N 0 2 278.308 2.419 20 5 CEBDLN CCC(C)(C)OCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000457338288 289761525 /nfs/dbraw/zinc/76/15/25/289761525.db2.gz FFXXLCHONQQGSF-UHFFFAOYSA-N 0 2 296.323 2.235 20 5 CEBDLN C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCO1 ZINC000457685362 289810911 /nfs/dbraw/zinc/81/09/11/289810911.db2.gz ZUMDRFNKHLFRIK-ZDUSSCGKSA-N 0 2 280.280 2.198 20 5 CEBDLN CCCCO[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183918926 520820704 /nfs/dbraw/zinc/82/07/04/520820704.db2.gz UCLKCJBHBLZVDC-VIFPVBQESA-N 0 2 282.296 2.444 20 5 CEBDLN CC(C)C[C@H](C)n1nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840463847 634677668 /nfs/dbraw/zinc/67/76/68/634677668.db2.gz BNRFLODXVILAGF-HBNTYKKESA-N 0 2 280.328 2.094 20 5 CEBDLN C[C@@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1cccc(F)c1 ZINC000897068820 630916244 /nfs/dbraw/zinc/91/62/44/630916244.db2.gz RDXJZWGLUVMBAE-AVPPRXQKSA-N 0 2 277.255 2.493 20 5 CEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccnc1F ZINC000807222871 631821361 /nfs/dbraw/zinc/82/13/61/631821361.db2.gz VNCAPBSAWXPGEM-UHFFFAOYSA-N 0 2 277.211 2.087 20 5 CEBDLN C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000808008162 631906130 /nfs/dbraw/zinc/90/61/30/631906130.db2.gz QUVBKSJUVXYYKA-UWVGGRQHSA-N 0 2 293.323 2.208 20 5 CEBDLN CSc1ccc(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840344596 633710344 /nfs/dbraw/zinc/71/03/44/633710344.db2.gz ZBFOEMJJUGLSBX-GHMZBOCLSA-N 0 2 266.322 2.037 20 5 CEBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC1CC1)c1ccccc1 ZINC000840384777 634183314 /nfs/dbraw/zinc/18/33/14/634183314.db2.gz PALBNTBNBCMMCG-CHWSQXEVSA-N 0 2 260.293 2.095 20 5 CEBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(CCCc2ccccc2)no1 ZINC000841731511 639852751 /nfs/dbraw/zinc/85/27/51/639852751.db2.gz 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O=C(Nc1c(O)cccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610339726 347673497 /nfs/dbraw/zinc/67/34/97/347673497.db2.gz IDNFWWFCYZEOFR-UHFFFAOYSA-N 0 2 292.222 2.397 20 5 CEBDLN O=C(NCc1ccc(Cl)o1)c1cc([N+](=O)[O-])ccc1O ZINC000611534587 347792499 /nfs/dbraw/zinc/79/24/99/347792499.db2.gz DUVHNDYWZUJDSH-UHFFFAOYSA-N 0 2 296.666 2.477 20 5 CEBDLN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1F ZINC000614015498 348134143 /nfs/dbraw/zinc/13/41/43/348134143.db2.gz WIRKMLLROHUPLJ-GZMMTYOYSA-N 0 2 282.271 2.121 20 5 CEBDLN COC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000614860551 348247417 /nfs/dbraw/zinc/24/74/17/348247417.db2.gz ZDGUKASFGCYVIF-UHFFFAOYSA-N 0 2 294.307 2.444 20 5 CEBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(F)ccc2F)[nH]1 ZINC000352013207 219290517 /nfs/dbraw/zinc/29/05/17/219290517.db2.gz HOYISLXWXDKMQX-DAFODLJHSA-N 0 2 295.201 2.245 20 5 CEBDLN O=C(NC[C@@H]1CCCSC1)c1cccc(O)c1[N+](=O)[O-] ZINC000292199588 198199452 /nfs/dbraw/zinc/19/94/52/198199452.db2.gz 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CN(Cc1ccco1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234285744 370533211 /nfs/dbraw/zinc/53/32/11/370533211.db2.gz SBCFLUCCCDITMQ-UHFFFAOYSA-N 0 2 276.248 2.166 20 5 CEBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccn1 ZINC000355545214 370595498 /nfs/dbraw/zinc/59/54/98/370595498.db2.gz LJARRZYENUQKMD-SECBINFHSA-N 0 2 287.275 2.186 20 5 CEBDLN C[C@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(F)F ZINC000331945580 204321026 /nfs/dbraw/zinc/32/10/26/204321026.db2.gz JACLAOMVBZGVBI-CDUCUWFYSA-N 0 2 272.207 2.140 20 5 CEBDLN CCc1ocnc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361661440 372011885 /nfs/dbraw/zinc/01/18/85/372011885.db2.gz NCHYVJJDINMVSH-UHFFFAOYSA-N 0 2 277.236 2.103 20 5 CEBDLN C[C@@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000271944451 373229428 /nfs/dbraw/zinc/22/94/28/373229428.db2.gz PPPSVXINJUYTSL-RKDXNWHRSA-N 0 2 280.280 2.054 20 5 CEBDLN Cc1ccoc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000313865592 376756949 /nfs/dbraw/zinc/75/69/49/376756949.db2.gz KJWJEUZRDFGZJM-UHFFFAOYSA-N 0 2 290.275 2.474 20 5 CEBDLN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCC1 ZINC000332472078 377617237 /nfs/dbraw/zinc/61/72/37/377617237.db2.gz SIEZEHYSDBCGRD-UHFFFAOYSA-N 0 2 264.281 2.315 20 5 CEBDLN CC[C@@H](C)CONC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000293677765 377694115 /nfs/dbraw/zinc/69/41/15/377694115.db2.gz JBKAUGDTQFFEAB-MRVPVSSYSA-N 0 2 268.269 2.008 20 5 CEBDLN CC[C@H](C)[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280967832 195050667 /nfs/dbraw/zinc/05/06/67/195050667.db2.gz OARQMJGCWFAKAA-DTWKUNHWSA-N 0 2 266.297 2.465 20 5 CEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@]12C[C@H]1CCC2 ZINC000421792808 394596656 /nfs/dbraw/zinc/59/66/56/394596656.db2.gz RDXPPISKSKUPMB-AMIZOPFISA-N 0 2 262.265 2.429 20 5 CEBDLN CC[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436946025 395166918 /nfs/dbraw/zinc/16/69/18/395166918.db2.gz BTPWHLCEPQHMKR-IUCAKERBSA-N 0 2 266.297 2.465 20 5 CEBDLN C[C@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436971806 395168115 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O=C(Nc1nc2ccccc2[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000319085118 304016187 /nfs/dbraw/zinc/01/61/87/304016187.db2.gz PWWSULYVIVNKIE-UHFFFAOYSA-N 0 2 298.258 2.429 20 5 CEBDLN CC[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)O1 ZINC000271472771 191159224 /nfs/dbraw/zinc/15/92/24/191159224.db2.gz IUXUIMNPEKFWST-BXKDBHETSA-N 0 2 280.280 2.197 20 5 CEBDLN CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000153148351 188067705 /nfs/dbraw/zinc/06/77/05/188067705.db2.gz RMBLJWDCBFBHAX-SECBINFHSA-N 0 2 264.281 2.173 20 5 CEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H]1C(F)F ZINC000338183420 366225097 /nfs/dbraw/zinc/22/50/97/366225097.db2.gz JIKOEEDKSACJJK-RQJHMYQMSA-N 0 2 272.207 2.140 20 5 CEBDLN C[C@@H]1[C@H](C)SCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179507616 189198092 /nfs/dbraw/zinc/19/80/92/189198092.db2.gz DGVKSRYVUCULAC-BDAKNGLRSA-N 0 2 296.348 2.266 20 5 CEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccnc1 ZINC000025392731 361625415 /nfs/dbraw/zinc/62/54/15/361625415.db2.gz HJRXTSKVALEIKM-SECBINFHSA-N 0 2 287.275 2.186 20 5 CEBDLN Cc1noc(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546346 364080777 /nfs/dbraw/zinc/08/07/77/364080777.db2.gz YJVSEGLCVDHAEZ-UHFFFAOYSA-N 0 2 291.263 2.086 20 5 CEBDLN CC[C@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000111628913 364746562 /nfs/dbraw/zinc/74/65/62/364746562.db2.gz LGDGWLFUQPCUCT-VIFPVBQESA-N 0 2 266.297 2.419 20 5 CEBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000217316597 370193485 /nfs/dbraw/zinc/19/34/85/370193485.db2.gz UJHNLEMWCMOVLO-QMMMGPOBSA-N 0 2 264.281 2.219 20 5 CEBDLN O=C(NCC1CCSCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000226654624 370350531 /nfs/dbraw/zinc/35/05/31/370350531.db2.gz AXMHDTSMBMCKHU-UHFFFAOYSA-N 0 2 296.348 2.173 20 5 CEBDLN COc1cccc2c1CCCCN2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372217524 374071014 /nfs/dbraw/zinc/07/10/14/374071014.db2.gz PQVLWASFLGTZTI-DGCLKSJQSA-N 0 2 290.319 2.030 20 5 CEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCCCC1 ZINC000280681282 375282944 /nfs/dbraw/zinc/28/29/44/375282944.db2.gz CNUKCUHEMQXDPU-UHFFFAOYSA-N 0 2 264.281 2.317 20 5 CEBDLN CON(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286539312 375987508 /nfs/dbraw/zinc/98/75/08/375987508.db2.gz PJJYHPULEGAGFH-UHFFFAOYSA-N 0 2 282.296 2.350 20 5 CEBDLN CC[C@H](C)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])OC ZINC000295988288 378382336 /nfs/dbraw/zinc/38/23/36/378382336.db2.gz JZWYIUYWAVMTIQ-CABZTGNLSA-N 0 2 296.323 2.091 20 5 CEBDLN Cc1cc(=NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[nH]nc1C ZINC000491837212 380354100 /nfs/dbraw/zinc/35/41/00/380354100.db2.gz FRZXRTLVFGSJFX-YVMONPNESA-N 0 2 298.302 2.075 20 5 CEBDLN CO[C@H](CC(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000416205439 395031619 /nfs/dbraw/zinc/03/16/19/395031619.db2.gz RKBWIJLKOGRSKB-GFCCVEGCSA-N 0 2 282.296 2.300 20 5 CEBDLN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cs1 ZINC000436900540 395161220 /nfs/dbraw/zinc/16/12/20/395161220.db2.gz OBDFKOHLKVFIEV-UHFFFAOYSA-N 0 2 279.277 2.318 20 5 CEBDLN CC(C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436902402 395161295 /nfs/dbraw/zinc/16/12/95/395161295.db2.gz TWQDWJHAUHDERJ-VIFPVBQESA-N 0 2 266.297 2.465 20 5 CEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC12CCC2 ZINC000436973679 395170166 /nfs/dbraw/zinc/17/01/66/395170166.db2.gz UKILUNXTSWPONR-UHFFFAOYSA-N 0 2 262.265 2.069 20 5 CEBDLN O=C(N[C@H]1CCC[C@H](F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000573122401 395600965 /nfs/dbraw/zinc/60/09/65/395600965.db2.gz GMAAHGHUTCFQFA-IUCAKERBSA-N 0 2 282.271 2.311 20 5 CEBDLN CC[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217316451 153297928 /nfs/dbraw/zinc/29/79/28/153297928.db2.gz ZKNKWKOYGWOHOC-SECBINFHSA-N 0 2 264.281 2.173 20 5 CEBDLN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000016642646 299830339 /nfs/dbraw/zinc/83/03/39/299830339.db2.gz OAXPXUISTLRWFH-VIFPVBQESA-N 0 2 264.281 2.173 20 5 CEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(CCC2(F)F)C1 ZINC000359527159 304500751 /nfs/dbraw/zinc/50/07/51/304500751.db2.gz KWGVPWITBYHQFE-UHFFFAOYSA-N 0 2 298.245 2.172 20 5 CEBDLN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000355162350 288029194 /nfs/dbraw/zinc/02/91/94/288029194.db2.gz HHBJYSWCSJTTRY-VIFPVBQESA-N 0 2 292.213 2.371 20 5 CEBDLN CC(C)[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331935269 280389294 /nfs/dbraw/zinc/38/92/94/280389294.db2.gz FNEXILFGLVYGFY-LLVKDONJSA-N 0 2 264.281 2.171 20 5 CEBDLN C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000444471923 281607373 /nfs/dbraw/zinc/60/73/73/281607373.db2.gz BJQSCJIMYDYECZ-RKDXNWHRSA-N 0 2 264.281 2.219 20 5 CEBDLN CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000458138359 289883035 /nfs/dbraw/zinc/88/30/35/289883035.db2.gz QZAFJAKIEVDWIS-BXUZGUMPSA-N 0 2 278.308 2.465 20 5 CEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC2(CC2)C1 ZINC000184103329 304529246 /nfs/dbraw/zinc/52/92/46/304529246.db2.gz BEOJUSQNJGSYCZ-UHFFFAOYSA-N 0 2 276.292 2.317 20 5 CEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC2(CCC2)C1 ZINC000283313918 304549675 /nfs/dbraw/zinc/54/96/75/304549675.db2.gz GEUYQMJWJFRLDA-UHFFFAOYSA-N 0 2 276.292 2.317 20 5 CEBDLN CC(C)CO[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539971360 298260959 /nfs/dbraw/zinc/26/09/59/298260959.db2.gz RTUICGKRLXQVNX-VIFPVBQESA-N 0 2 282.296 2.300 20 5 CEBDLN C[C@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000295765871 300813255 /nfs/dbraw/zinc/81/32/55/300813255.db2.gz OTEVHKQOMCQSKC-ZDUSSCGKSA-N 0 2 282.271 2.265 20 5 CEBDLN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nn[nH]c2c1 ZINC000176729756 534335545 /nfs/dbraw/zinc/33/55/45/534335545.db2.gz JHFXSMKWQLTYNO-UHFFFAOYSA-N 0 2 297.274 2.427 20 5 CEBDLN CC(C)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000156670101 528050219 /nfs/dbraw/zinc/05/02/19/528050219.db2.gz YVYBHHHKEJWMCT-UHFFFAOYSA-N 0 2 290.279 2.399 20 5 CEBDLN Cc1c(CNC(=O)C(F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000811430005 632383450 /nfs/dbraw/zinc/38/34/50/632383450.db2.gz MRTSGNUKICPBSY-VIFPVBQESA-N 0 2 294.204 2.420 20 5 CEBDLN Cc1c(CNC(=O)[C@H](F)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000811430005 632383455 /nfs/dbraw/zinc/38/34/55/632383455.db2.gz MRTSGNUKICPBSY-VIFPVBQESA-N 0 2 294.204 2.420 20 5 CEBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccco1)c1ccccc1 ZINC000840322165 632836660 /nfs/dbraw/zinc/83/66/60/632836660.db2.gz OKEMAPJWWIMYJB-ZIAGYGMSSA-N 0 2 286.287 2.478 20 5 CEBDLN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCS1 ZINC000834653356 637905838 /nfs/dbraw/zinc/90/58/38/637905838.db2.gz BFRCUNBWKMNFCH-RKDXNWHRSA-N 0 2 296.348 2.314 20 5 CEBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2cccc3cccnc32)no1 ZINC000841731829 639853080 /nfs/dbraw/zinc/85/30/80/639853080.db2.gz GNSHCPJTCFWMBE-VXGBXAGGSA-N 0 2 296.286 2.341 20 5 CEBDLN Cc1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])c(O)c1)NC2=O ZINC000877864168 650932395 /nfs/dbraw/zinc/93/23/95/650932395.db2.gz LNEGAGMUSXHEEI-CQSZACIVSA-N 0 2 299.286 2.463 20 5 CEBDLN O=C(NCCC1CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000773294407 646723346 /nfs/dbraw/zinc/72/33/46/646723346.db2.gz VQLQGIMXGTWCDI-UHFFFAOYSA-N 0 2 264.281 2.220 20 5 CEBDLN O=C(NOCC1CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000868553020 648167389 /nfs/dbraw/zinc/16/73/89/648167389.db2.gz FQVRCUNUOAPGPI-UHFFFAOYSA-N 0 2 290.319 2.474 20 5 CEBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1cncnc1 ZINC001225619432 805036170 /nfs/dbraw/zinc/03/61/70/805036170.db2.gz ACVOXFWPIXLXNA-QMMMGPOBSA-N 0 2 261.237 2.230 20 5 CEBDLN O=C(NC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1O ZINC000125279505 365672256 /nfs/dbraw/zinc/67/22/56/365672256.db2.gz ZAFOPVXSPVXHFV-UHFFFAOYSA-N 0 2 298.298 2.198 20 5 CEBDLN CC1(F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000601867014 346919023 /nfs/dbraw/zinc/91/90/23/346919023.db2.gz GCKFFFITSBVBQQ-UHFFFAOYSA-N 0 2 282.271 2.265 20 5 CEBDLN C[C@@H]1CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3F)N=C12 ZINC000601941372 346934360 /nfs/dbraw/zinc/93/43/60/346934360.db2.gz AEKRFBQHICGFAR-VXNVDRBHSA-N 0 2 277.255 2.483 20 5 CEBDLN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3F)N=C12 ZINC000601941369 346934384 /nfs/dbraw/zinc/93/43/84/346934384.db2.gz AEKRFBQHICGFAR-APPZFPTMSA-N 0 2 277.255 2.483 20 5 CEBDLN Cc1nc(NS(=O)(=O)c2ccsc2)ccc1[N+](=O)[O-] ZINC000351396707 219095642 /nfs/dbraw/zinc/09/56/42/219095642.db2.gz LJAXCMVRHWGYNP-UHFFFAOYSA-N 0 2 299.333 2.161 20 5 CEBDLN O=C(CCC1CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546559 344194754 /nfs/dbraw/zinc/19/47/54/344194754.db2.gz ORRTWAOSFNJFLO-UHFFFAOYSA-N 0 2 250.254 2.429 20 5 CEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(F)(F)CC1 ZINC000404790645 344882702 /nfs/dbraw/zinc/88/27/02/344882702.db2.gz DWGVUNWEAIXROL-UHFFFAOYSA-N 0 2 286.234 2.172 20 5 CEBDLN O=C(NC/C=C\c1cccnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590397103 345132962 /nfs/dbraw/zinc/13/29/62/345132962.db2.gz MWSBVFKDKLNUMM-RQOWECAXSA-N 0 2 299.286 2.139 20 5 CEBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1 ZINC000597445214 346186884 /nfs/dbraw/zinc/18/68/84/346186884.db2.gz SMOQHLXEFJIOOL-ZANVPECISA-N 0 2 294.307 2.444 20 5 CEBDLN O=C(NCC1=CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598376562 346341753 /nfs/dbraw/zinc/34/17/53/346341753.db2.gz OZZABLBLTBWKJC-UHFFFAOYSA-N 0 2 262.265 2.141 20 5 CEBDLN CCO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C(C)C ZINC000599713541 346573341 /nfs/dbraw/zinc/57/33/41/346573341.db2.gz KAUWYKFEBLAIHO-GFCCVEGCSA-N 0 2 282.296 2.300 20 5 CEBDLN C[C@@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1=O ZINC000356302454 370649352 /nfs/dbraw/zinc/64/93/52/370649352.db2.gz ZXFUZXLVEQVKMC-RKDXNWHRSA-N 0 2 292.291 2.244 20 5 CEBDLN C[C@@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000338484230 297247582 /nfs/dbraw/zinc/24/75/82/297247582.db2.gz KUFOMJQMFPTKIV-ILWJIGKKSA-N 0 2 285.369 2.479 20 5 CEBDLN CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000604490530 347417933 /nfs/dbraw/zinc/41/79/33/347417933.db2.gz ZVFVPITXPAMXJP-QMMMGPOBSA-N 0 2 252.270 2.219 20 5 CEBDLN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546134 180404024 /nfs/dbraw/zinc/40/40/24/180404024.db2.gz MJAARZQBLDPNQZ-KWQFWETISA-N 0 2 292.291 2.244 20 5 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