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-])c1cccnc1I ZINC000021990587 343032391 /nfs/dbraw/zinc/03/23/91/343032391.db2.gz DGUAYSMTXILGJD-UHFFFAOYSA-N 0 0 249.995 1.594 40 5 BDBBRN C/C=C(/C)C(=O)OC[C@H]1CC[N+](C)([O-])C1 ZINC000005566256 187247571 /nfs/dbraw/zinc/24/75/71/187247571.db2.gz VCASXRNIMTULLQ-VIBZALQYSA-N 0 0 213.277 1.460 40 5 BDBBRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C ZINC000034382451 343268847 /nfs/dbraw/zinc/26/88/47/343268847.db2.gz FHIKLTIIGANXNC-UHFFFAOYSA-N 0 0 208.217 1.605 40 5 BDBBRN Nc1cc(N2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000033975827 350467523 /nfs/dbraw/zinc/46/75/23/350467523.db2.gz INKMWMCBCMAFDY-SECBINFHSA-N 0 0 237.259 1.138 40 5 BDBBRN O=[N+]([O-])c1n[nH]c(Sc2ccccc2)n1 ZINC000095116195 188049971 /nfs/dbraw/zinc/04/99/71/188049971.db2.gz DXXTXUZTWRYFDW-UHFFFAOYSA-N 0 0 222.229 1.864 40 5 BDBBRN O=[N+]([O-])c1ccc([C@@H](O)Nc2nccs2)o1 ZINC000001659805 357067474 /nfs/dbraw/zinc/06/74/74/357067474.db2.gz ZYVRRCBSSUWULH-SSDOTTSWSA-N 0 0 241.228 1.747 40 5 BDBBRN CCOC(=O)c1ccnc(F)c1[N+](=O)[O-] ZINC000257197982 370683385 /nfs/dbraw/zinc/68/33/85/370683385.db2.gz PAAPVMGBZWCOEI-UHFFFAOYSA-N 0 0 214.152 1.306 40 5 BDBBRN C[C@H](O)c1cc([N+](=O)[O-])cn(C(F)F)c1=O ZINC000242400252 368151010 /nfs/dbraw/zinc/15/10/10/368151010.db2.gz ARXYHXSGHUVDDP-BYPYZUCNSA-N 0 0 234.158 1.205 40 5 BDBBRN [NH3+][C@@H](CC(=O)[O-])c1ccc(F)c([N+](=O)[O-])c1 ZINC000044216845 181538772 /nfs/dbraw/zinc/53/87/72/181538772.db2.gz FQQBZLDKAWFNNG-ZETCQYMHSA-N 0 0 228.179 1.208 40 5 BDBBRN Nc1ncc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039320388 181794989 /nfs/dbraw/zinc/79/49/89/181794989.db2.gz YXWXKYJNPMIZGH-UHFFFAOYSA-N 0 0 205.173 1.832 40 5 BDBBRN CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000003846989 372076085 /nfs/dbraw/zinc/07/60/85/372076085.db2.gz NJXKKMWQUOZWAL-RMKNXTFCSA-N 0 0 247.210 1.117 40 5 BDBBRN O=C1CCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N1 ZINC000071613842 182755929 /nfs/dbraw/zinc/75/59/29/182755929.db2.gz QPKRLMNDXKBONX-UHFFFAOYSA-N 0 0 237.171 1.388 40 5 BDBBRN O=c1cc[nH]c2c1ccc1[nH]ccc(=O)c12 ZINC000001870706 182997992 /nfs/dbraw/zinc/99/79/92/182997992.db2.gz GCPKHMZLLDVKBB-UHFFFAOYSA-N 0 0 212.208 1.370 40 5 BDBBRN O=c1n2c3ccccc3nc2nc2ccccn21 ZINC000013219919 183008257 /nfs/dbraw/zinc/00/82/57/183008257.db2.gz GCBVZMDYRDNOCM-UHFFFAOYSA-N 0 0 236.234 1.495 40 5 BDBBRN CCOC(=O)c1nn([C@@H](C)CC)cc1[N+](=O)[O-] ZINC000408715685 384183977 /nfs/dbraw/zinc/18/39/77/384183977.db2.gz CKXXTKZNEFRWJW-ZETCQYMHSA-N 0 0 241.247 1.939 40 5 BDBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c1 ZINC000100076251 384288636 /nfs/dbraw/zinc/28/86/36/384288636.db2.gz XPARNGAWWCCOIM-UHFFFAOYSA-N 0 0 231.095 1.550 40 5 BDBBRN CO/C=C(\F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000098175028 384499268 /nfs/dbraw/zinc/49/92/68/384499268.db2.gz BWMBUXJULGJUKO-TWGQIWQCSA-N 0 0 240.190 1.991 40 5 BDBBRN CCOc1cc([N+](=O)[O-])ccc1-n1cnnc1 ZINC000070461694 384562613 /nfs/dbraw/zinc/56/26/13/384562613.db2.gz YSMQDOCYYQDXIP-UHFFFAOYSA-N 0 0 234.215 1.574 40 5 BDBBRN c1ccc2c3nc4ccncc4n3nnc2c1 ZINC000013284379 384830916 /nfs/dbraw/zinc/83/09/16/384830916.db2.gz DGKJAQSECLEWLA-UHFFFAOYSA-N 0 0 221.223 1.826 40 5 BDBBRN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1CO1 ZINC000077311718 384917856 /nfs/dbraw/zinc/91/78/56/384917856.db2.gz IWRGQRMIHJWMIH-SECBINFHSA-N 0 0 237.211 1.575 40 5 in-vitro BDBBRN NNCc1cccc2nc3ccccc3nc12 ZINC000085390747 385156761 /nfs/dbraw/zinc/15/67/61/385156761.db2.gz VTWLUCCLTRRQDV-UHFFFAOYSA-N 0 0 224.267 1.746 40 5 BDBBRN CCON(C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000001705731 387472187 /nfs/dbraw/zinc/47/21/87/387472187.db2.gz ZIPTUMAGUVQEEH-UHFFFAOYSA-N 0 0 224.216 1.899 40 5 BDBBRN O=C1C[C@H](c2ccccc2[N+](=O)[O-])OC1=O ZINC000016449478 387489515 /nfs/dbraw/zinc/48/95/15/387489515.db2.gz KJDPBXSPQCCMNV-SECBINFHSA-N 0 0 221.168 1.635 40 5 BDBBRN O=[N+]([O-])c1ccc2[nH]c3nc(=S)[nH]nc3c2c1 ZINC000007036617 387924108 /nfs/dbraw/zinc/92/41/08/387924108.db2.gz KYQSEWZQJVEUQY-UHFFFAOYSA-N 0 0 247.239 1.703 40 5 BDBBRN CC1=CC=C[C@@H](Oc2ncnc(N)c2[N+](=O)[O-])C1 ZINC000026802686 388006629 /nfs/dbraw/zinc/00/66/29/388006629.db2.gz GCBUFHIXAUTWDG-MRVPVSSYSA-N 0 0 248.242 1.621 40 5 BDBBRN C[S@@](=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016970966 388374440 /nfs/dbraw/zinc/37/44/40/388374440.db2.gz BMIAGKOMRMMSLT-HNNXBMFYSA-N 0 0 230.201 1.240 40 5 BDBBRN Nc1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000040350633 388413756 /nfs/dbraw/zinc/41/37/56/388413756.db2.gz NQJHXDWFVYNYAJ-UHFFFAOYSA-N 0 0 240.606 1.880 40 5 BDBBRN Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000078460608 388681822 /nfs/dbraw/zinc/68/18/22/388681822.db2.gz GFEJOMJMJNTDGN-UHFFFAOYSA-N 0 0 204.189 1.390 40 5 BDBBRN O=[N+]([O-])c1c(Br)cccc1CO ZINC000095930451 388792283 /nfs/dbraw/zinc/79/22/83/388792283.db2.gz CGVQNXRJFYFTDX-UHFFFAOYSA-N 0 0 232.033 1.850 40 5 BDBBRN O=C1N[C@H](Cc2ccc([N+](=O)[O-])cc2)CO1 ZINC000002524855 388840977 /nfs/dbraw/zinc/84/09/77/388840977.db2.gz CCEJPIYBVGYGEM-MRVPVSSYSA-N 0 0 222.200 1.246 40 5 BDBBRN O=C1CCc2cc([N+](=O)[O-])cc3c2N1CCC3 ZINC000005459005 132317699 /nfs/dbraw/zinc/31/76/99/132317699.db2.gz UZPBBIYWJBECQJ-UHFFFAOYSA-N 0 0 232.239 1.820 40 5 BDBBRN Cc1cc(-n2cnnn2)c(C)cc1[N+](=O)[O-] ZINC000408720601 133448192 /nfs/dbraw/zinc/44/81/92/133448192.db2.gz WKFUVVVVHHKGJG-UHFFFAOYSA-N 0 0 219.204 1.187 40 5 BDBBRN CCC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001732223 168243362 /nfs/dbraw/zinc/24/33/62/168243362.db2.gz GLTFQIXQKGAJST-UHFFFAOYSA-N 0 0 239.187 1.852 40 5 BDBBRN CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000036612822 170042419 /nfs/dbraw/zinc/04/24/19/170042419.db2.gz XQQKIPRHOORRRL-SREVYHEPSA-N 0 0 220.228 1.744 40 5 BDBBRN COc1ccc(-c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000078575682 175035963 /nfs/dbraw/zinc/03/59/63/175035963.db2.gz KGEAXDWFZFKFSJ-UHFFFAOYSA-N 0 0 219.200 1.994 40 5 BDBBRN COc1ccc(-n2cnc([N+](=O)[O-])n2)cc1 ZINC000199733964 175044699 /nfs/dbraw/zinc/04/46/99/175044699.db2.gz KTCVJIZKCAZIDJ-UHFFFAOYSA-N 0 0 220.188 1.184 40 5 BDBBRN COc1ccc(NCCO)cc1[N+](=O)[O-] ZINC000034300997 175150978 /nfs/dbraw/zinc/15/09/78/175150978.db2.gz BGANLZMZHWJPFY-UHFFFAOYSA-N 0 0 212.205 1.008 40 5 in-vitro BDBBRN COc1ccc2c(c1)oc(N)c2[N+](=O)[O-] ZINC000004996359 175205514 /nfs/dbraw/zinc/20/55/14/175205514.db2.gz WXJITIKBHNYKNY-UHFFFAOYSA-N 0 0 208.173 1.932 40 5 BDBBRN Cn1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC001548918969 988847603 /nfs/dbraw/zinc/84/76/03/988847603.db2.gz YFDBEUZLKYRVKD-UHFFFAOYSA-N 0 0 242.235 1.675 40 5 BDBBRN Cc1cc([N+](=O)[O-])cc2sc(=O)[nH]c21 ZINC000073638438 178271604 /nfs/dbraw/zinc/27/16/04/178271604.db2.gz UYQKYISYFAJDGP-UHFFFAOYSA-N 0 0 210.214 1.806 40 5 BDBBRN Cc1ccc(-c2nnc(N)o2)cc1[N+](=O)[O-] ZINC000019394254 178340912 /nfs/dbraw/zinc/34/09/12/178340912.db2.gz PRYVSRFHUMMCRT-UHFFFAOYSA-N 0 0 220.188 1.535 40 5 BDBBRN COc1cc([N+](=O)[O-])c(N)c(Cl)c1OC ZINC000256055112 398269852 /nfs/dbraw/zinc/26/98/52/398269852.db2.gz ZGMQJUFPBSWQBU-UHFFFAOYSA-N 0 0 232.623 1.848 40 5 BDBBRN Cc1nc(Sc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000059116438 398328334 /nfs/dbraw/zinc/32/83/34/398328334.db2.gz GUJGOBVEZBYCEP-UHFFFAOYSA-N 0 0 237.244 1.568 40 5 BDBBRN [O-][n+]1c2ccccc2[n+]([O-])c2cc(Cl)ccc21 ZINC000005699014 187248092 /nfs/dbraw/zinc/24/80/92/187248092.db2.gz NFCIQNJPHBEHLU-UHFFFAOYSA-N 0 0 246.653 1.913 40 5 BDBBRN O=[N+]([O-])c1cc2c[nH]nc2cc1[N+](=O)[O-] ZINC000004714874 343974541 /nfs/dbraw/zinc/97/45/41/343974541.db2.gz TXKLPRHOQGGDQY-UHFFFAOYSA-N 0 0 208.133 1.379 40 5 BDBBRN O=[N+]([O-])C1C=CN=C2N=CC(Br)=C21 ZINC000602993569 344374983 /nfs/dbraw/zinc/37/49/83/344374983.db2.gz RWLHYIIHFOJMOW-YFKPBYRVSA-N 0 0 242.032 1.291 40 5 BDBBRN O=[N+]([O-])C1C=CN=C2N=CC(Br)=C21 ZINC000602993568 344375208 /nfs/dbraw/zinc/37/52/08/344375208.db2.gz RWLHYIIHFOJMOW-RXMQYKEDSA-N 0 0 242.032 1.291 40 5 BDBBRN O=[N+]([O-])c1ccc([C@@H]2NNC(=S)S2)cc1 ZINC000000114499 344545684 /nfs/dbraw/zinc/54/56/84/344545684.db2.gz BHLDLMHHOBEPIL-SSDOTTSWSA-N 0 0 241.297 1.719 40 5 BDBBRN Cc1c(C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000005536962 346248590 /nfs/dbraw/zinc/24/85/90/346248590.db2.gz HKJXXTILQCZEBH-UHFFFAOYSA-N 0 0 208.217 1.605 40 5 BDBBRN C[C@](Cl)(CO[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000034586429 347118124 /nfs/dbraw/zinc/11/81/24/347118124.db2.gz XXIXCGZPUSLGPY-HTQZYQBOSA-N 0 0 223.656 1.761 40 5 BDBBRN C[C@@](Cl)(CO[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000034586428 347118526 /nfs/dbraw/zinc/11/85/26/347118526.db2.gz XXIXCGZPUSLGPY-SFYZADRCSA-N 0 0 223.656 1.761 40 5 BDBBRN O=[N+]([O-])c1ccc(CCCCO)c([N+](=O)[O-])c1 ZINC000016697711 362908016 /nfs/dbraw/zinc/90/80/16/362908016.db2.gz PVTJRLPFWHICBH-UHFFFAOYSA-N 0 0 240.215 1.818 40 5 BDBBRN Cc1[nH]nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000003901790 179837816 /nfs/dbraw/zinc/83/78/16/179837816.db2.gz NEMZBQFQHRDJNE-UHFFFAOYSA-N 0 0 222.204 1.831 40 5 BDBBRN Cc1nnc2[nH]c(-c3cccc([N+](=O)[O-])c3)nn12 ZINC000000369038 356597492 /nfs/dbraw/zinc/59/74/92/356597492.db2.gz QJDLEKBMROPRDC-UHFFFAOYSA-N 0 0 244.214 1.336 40 5 BDBBRN CC[C@@H]([C@@H](OC(C)=O)C(C)C)[N+](=O)[O-] ZINC000001571187 356964880 /nfs/dbraw/zinc/96/48/80/356964880.db2.gz GNTZENDEEVYVID-IUCAKERBSA-N 0 0 203.238 1.629 40 5 BDBBRN O=[N+]([O-])c1ccccc1P1(=O)OCCO1 ZINC000001615676 357013879 /nfs/dbraw/zinc/01/38/79/357013879.db2.gz MWZJKSYQLOVZJG-UHFFFAOYSA-N 0 0 229.128 1.460 40 5 BDBBRN O=[N+]([O-])c1cc(-c2nnco2)cc([N+](=O)[O-])c1 ZINC000006505239 359748292 /nfs/dbraw/zinc/74/82/92/359748292.db2.gz IYAZASXXAMRQNT-UHFFFAOYSA-N 0 0 236.143 1.553 40 5 BDBBRN [NH3+][C@@H](Cc1c[nH]c2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000006567327 360120538 /nfs/dbraw/zinc/12/05/38/360120538.db2.gz BAAGPHWSKFTJTK-QMMMGPOBSA-N 0 0 249.226 1.031 40 5 BDBBRN Cc1ncc([N+](=O)[O-])n1CC(=O)c1ccccc1 ZINC000038418394 368243613 /nfs/dbraw/zinc/24/36/13/368243613.db2.gz QVIFEVURBPZSHB-UHFFFAOYSA-N 0 0 245.238 1.983 40 5 BDBBRN Nc1c(Cl)c2c(cc1[N+](=O)[O-])OCO2 ZINC000256051122 370635834 /nfs/dbraw/zinc/63/58/34/370635834.db2.gz HVDCENQCCGYQJT-UHFFFAOYSA-N 0 0 216.580 1.559 40 5 BDBBRN CCN1C(=O)Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000256052440 370637121 /nfs/dbraw/zinc/63/71/21/370637121.db2.gz NIKSXGBYTBKTET-UHFFFAOYSA-N 0 0 234.211 1.140 40 5 BDBBRN NNc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004284752 372195050 /nfs/dbraw/zinc/19/50/50/372195050.db2.gz CUUQSZLMISKOHS-UHFFFAOYSA-N 0 0 222.126 1.294 40 5 BDBBRN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000000800677 182112825 /nfs/dbraw/zinc/11/28/25/182112825.db2.gz BAYTWIDMJVOLMK-UHFFFAOYSA-N 0 0 238.247 1.380 40 5 BDBBRN O=C(NCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000005513316 182165268 /nfs/dbraw/zinc/16/52/68/182165268.db2.gz ZWYCWIJWZLZUML-UHFFFAOYSA-N 0 0 238.243 1.097 40 5 BDBBRN COc1nc(C)c([N+](=O)[O-])c(Cl)n1 ZINC000039390780 259588705 /nfs/dbraw/zinc/58/87/05/259588705.db2.gz JDWRKIIBNHCUHM-UHFFFAOYSA-N 0 0 203.585 1.355 40 5 BDBBRN O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1F ZINC000001736007 182932821 /nfs/dbraw/zinc/93/28/21/182932821.db2.gz FMVDUSBGCFWYGL-UHFFFAOYSA-N 0 0 204.088 1.781 40 5 BDBBRN O=[N+]([O-])c1cnn2ccc(C(F)F)nc12 ZINC000238853377 182961153 /nfs/dbraw/zinc/96/11/53/182961153.db2.gz JNJFREQXMFFEPO-UHFFFAOYSA-N 0 0 214.131 1.575 40 5 BDBBRN C[N+](C)(C)CCC(=O)c1ccc(O)cc1 ZINC000001571867 383905793 /nfs/dbraw/zinc/90/57/93/383905793.db2.gz CVLCWKUQHBAYLH-UHFFFAOYSA-O 0 0 208.281 1.671 40 5 BDBBRN Cc1cnc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1 ZINC000098175259 384499906 /nfs/dbraw/zinc/49/99/06/384499906.db2.gz KLEHZMYECLNYKQ-UHFFFAOYSA-N 0 0 234.171 1.755 40 5 BDBBRN CC(C)(C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000071978627 384907500 /nfs/dbraw/zinc/90/75/00/384907500.db2.gz YSHGVIXDDTXRJC-UHFFFAOYSA-N 0 0 227.220 1.133 40 5 BDBBRN O=C([O-])CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000021951699 385333828 /nfs/dbraw/zinc/33/38/28/385333828.db2.gz NRNRJXBAMSLMOV-UHFFFAOYSA-N 0 0 238.243 1.549 40 5 BDBBRN 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CCOC(=O)Cc1ccncc1[N+](=O)[O-] ZINC000071620976 170236297 /nfs/dbraw/zinc/23/62/97/170236297.db2.gz XNSRNWVUBGIIAW-UHFFFAOYSA-N 0 0 210.189 1.095 40 5 BDBBRN CCOC(=O)[C@@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001598728 170260189 /nfs/dbraw/zinc/26/01/89/170260189.db2.gz FSOMTKWIEYZQMG-VHSXEESVSA-N 0 0 237.211 1.598 40 5 BDBBRN CCOCCCNc1nn(CC)cc1[N+](=O)[O-] ZINC000095098509 170383963 /nfs/dbraw/zinc/38/39/63/170383963.db2.gz MPWAIVNYWIMCNI-UHFFFAOYSA-N 0 0 242.279 1.650 40 5 BDBBRN CN(C)C(=S)Oc1ccccc1[N+](=O)[O-] ZINC000005064817 172393790 /nfs/dbraw/zinc/39/37/90/172393790.db2.gz QOCIFGBOWJADLR-UHFFFAOYSA-N 0 0 226.257 1.820 40 5 BDBBRN CNc1c(Br)cncc1[N+](=O)[O-] ZINC000088190265 173470875 /nfs/dbraw/zinc/47/08/75/173470875.db2.gz JLGVVVSGJJMCJH-UHFFFAOYSA-N 0 0 232.037 1.794 40 5 BDBBRN COc1c(C(N)=O)cc(C)cc1[N+](=O)[O-] ZINC000057339200 174919049 /nfs/dbraw/zinc/91/90/49/174919049.db2.gz TUMAIPGECAEIDZ-UHFFFAOYSA-N 0 0 210.189 1.011 40 5 BDBBRN COc1cc(Cl)c([N+](=O)[O-])cc1N 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/nfs/dbraw/zinc/36/33/39/177363339.db2.gz LWQRTEGTTCEEFE-IUCAKERBSA-N 0 0 215.249 1.442 40 5 BDBBRN CC1(C)NN=C([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000001608156 322810485 /nfs/dbraw/zinc/81/04/85/322810485.db2.gz PUNQLAYZKUPNCC-SECBINFHSA-N 0 0 219.244 1.742 40 5 BDBBRN CCn1cc([N+](=O)[O-])c(N2CCCCC2)n1 ZINC000253407202 523485398 /nfs/dbraw/zinc/48/53/98/523485398.db2.gz VRWWWLOJDIINRL-UHFFFAOYSA-N 0 0 224.264 1.802 40 5 BDBBRN Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)C ZINC000045886587 178271869 /nfs/dbraw/zinc/27/18/69/178271869.db2.gz BSCMYSZTNZWMMM-UHFFFAOYSA-N 0 0 225.204 1.877 40 5 BDBBRN Cc1ccc(-c2c([N+](=O)[O-])cnn2CCO)cc1 ZINC000096527478 178317834 /nfs/dbraw/zinc/31/78/34/178317834.db2.gz GCDMFULQQINABD-UHFFFAOYSA-N 0 0 247.254 1.759 40 5 BDBBRN O=C1CC[C@@H]([N+](=O)[O-])[C@@H](C2CCCC2)N1 ZINC000013992132 344409448 /nfs/dbraw/zinc/40/94/48/344409448.db2.gz FBHUYEVWXVQWFZ-PSASIEDQSA-N 0 0 212.249 1.101 40 5 BDBBRN COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000012398205 344522671 /nfs/dbraw/zinc/52/26/71/344522671.db2.gz OANFNQPCVBCUQG-UHFFFAOYSA-N 0 0 247.210 1.567 40 5 BDBBRN O=[N+]([O-])c1ccn(Cc2cccc(F)c2)n1 ZINC000000341182 344709462 /nfs/dbraw/zinc/70/94/62/344709462.db2.gz RXHPFSPENRRCNY-UHFFFAOYSA-N 0 0 221.191 1.979 40 5 BDBBRN Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12 ZINC000005394916 346206972 /nfs/dbraw/zinc/20/69/72/346206972.db2.gz PNNXRCCDLJTSRH-UHFFFAOYSA-N 0 0 234.171 1.633 40 5 BDBBRN CCC[C@]1([N+](=O)[O-])CC[C@](C)(O)[C@H](C(C)=O)C1 ZINC000005731877 347179275 /nfs/dbraw/zinc/17/92/75/347179275.db2.gz LHIKMPKGTVKURF-SRVKXCTJSA-N 0 0 243.303 1.942 40 5 BDBBRN O=[N+]([O-])c1ccnc(Br)c1F ZINC000306823437 351131531 /nfs/dbraw/zinc/13/15/31/351131531.db2.gz QEBVNLSQEHSZHE-UHFFFAOYSA-N 0 0 220.985 1.891 40 5 BDBBRN O=[N+]([O-])c1ccc([N+](=O)[O-])c2nsnc21 ZINC000005328426 187758170 /nfs/dbraw/zinc/75/81/70/187758170.db2.gz ALUQGDUUNXNHKC-UHFFFAOYSA-N 0 0 226.173 1.508 40 5 BDBBRN COc1cc(C=O)c(OC)c([N+](=O)[O-])c1 ZINC000034619708 355851230 /nfs/dbraw/zinc/85/12/30/355851230.db2.gz SSAQZDIQGZMYFA-UHFFFAOYSA-N 0 0 211.173 1.425 40 5 BDBBRN O=[N+]([O-])c1ccc(-c2nc3ncccn3n2)cc1 ZINC000001566952 356954528 /nfs/dbraw/zinc/95/45/28/356954528.db2.gz BGPYJIWRJPHATC-UHFFFAOYSA-N 0 0 241.210 1.700 40 5 BDBBRN Cc1ccc(Nc2nc([N+](=O)[O-])n[nH]2)cc1 ZINC000006546514 360034999 /nfs/dbraw/zinc/03/49/99/360034999.db2.gz FHYVHNMYCBYYHX-UHFFFAOYSA-N 0 0 219.204 1.765 40 5 BDBBRN NC(=O)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000062572277 181301873 /nfs/dbraw/zinc/30/18/73/181301873.db2.gz USXXEMHFHDQVOK-UHFFFAOYSA-N 0 0 217.184 1.242 40 5 BDBBRN CCn1ncc([N+](=O)[O-])c1C(=O)n1cc(C)cn1 ZINC000002778514 371656438 /nfs/dbraw/zinc/65/64/38/371656438.db2.gz GEEYOTDZPFYPIP-UHFFFAOYSA-N 0 0 249.230 1.005 40 5 BDBBRN [NH3+][C@@H](Cc1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)[O-] ZINC000003954093 372099730 /nfs/dbraw/zinc/09/97/30/372099730.db2.gz AWLWPSSHYJQPCH-VIFPVBQESA-N 0 0 249.226 1.031 40 5 in-vitro BDBBRN CCOc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-] ZINC000008703241 372859630 /nfs/dbraw/zinc/85/96/30/372859630.db2.gz GXIXIMYDZXXBQG-UHFFFAOYSA-N 0 0 227.176 1.484 40 5 BDBBRN O=[N+]([O-])c1ccc(N2CCNC2=S)cc1 ZINC000071621147 384225623 /nfs/dbraw/zinc/22/56/23/384225623.db2.gz FDIDPYNYTUYLCD-UHFFFAOYSA-N 0 0 223.257 1.289 40 5 BDBBRN CC[C@@H](C)n1cc([N+](=O)[O-])c(C(=O)OC)n1 ZINC000408715285 384349822 /nfs/dbraw/zinc/34/98/22/384349822.db2.gz ANQJYNVEDNWAOV-ZCFIWIBFSA-N 0 0 227.220 1.549 40 5 BDBBRN C[S@](=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004747895 384682390 /nfs/dbraw/zinc/68/23/90/384682390.db2.gz BMIAGKOMRMMSLT-OAHLLOKOSA-N 0 0 230.201 1.240 40 5 BDBBRN CN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000015586860 385313075 /nfs/dbraw/zinc/31/30/75/385313075.db2.gz ZPOYPLUAUNMIRO-UHFFFAOYSA-N 0 0 249.270 1.553 40 5 BDBBRN CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1N ZINC000005928835 386554234 /nfs/dbraw/zinc/55/42/34/386554234.db2.gz IDOUMTHCVMTLPM-SSDOTTSWSA-N 0 0 225.248 1.360 40 5 BDBBRN COc1cc([N+](=O)[O-])c(F)cc1CO ZINC000575440200 387127300 /nfs/dbraw/zinc/12/73/00/387127300.db2.gz AXQXBFNYITUYKA-UHFFFAOYSA-N 0 0 201.153 1.235 40 5 BDBBRN Nc1n[nH]c(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000225970137 387783481 /nfs/dbraw/zinc/78/34/81/387783481.db2.gz QUUMILLWHFLEQY-UHFFFAOYSA-N 0 0 220.192 1.039 40 5 BDBBRN O=c1[nH]nc2c3ccc([N+](=O)[O-])cc3[nH]cc1-2 ZINC000053994961 387976603 /nfs/dbraw/zinc/97/66/03/387976603.db2.gz LGBWSLJGFFYUCK-UHFFFAOYSA-N 0 0 230.183 1.725 40 5 BDBBRN C[C@@]1([N+](=O)[O-])C[Si](C)(C)C[C@@]1(C)[N+](=O)[O-] ZINC000195812054 388602207 /nfs/dbraw/zinc/60/22/07/388602207.db2.gz DSWIDAWDEVKGAV-HTQZYQBOSA-N 0 0 232.312 1.779 40 5 BDBBRN CC(=O)N1CCC(=O)c2cc([N+](=O)[O-])ccc21 ZINC000014982003 132322549 /nfs/dbraw/zinc/32/25/49/132322549.db2.gz OGSMJYXHZMOVED-UHFFFAOYSA-N 0 0 234.211 1.534 40 5 BDBBRN CCC(=O)n1cc2ccc([N+](=O)[O-])cc2n1 ZINC000001715984 168259198 /nfs/dbraw/zinc/25/91/98/168259198.db2.gz IOQDOCBNMCJDKE-UHFFFAOYSA-N 0 0 219.200 1.995 40 5 BDBBRN CCOC(=O)[C@@H](C)Oc1ncccc1[N+](=O)[O-] ZINC000005585708 170248610 /nfs/dbraw/zinc/24/86/10/170248610.db2.gz VVTAWIZGQXRQTK-SSDOTTSWSA-N 0 0 240.215 1.320 40 5 BDBBRN CCOC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001598726 170260399 /nfs/dbraw/zinc/26/03/99/170260399.db2.gz FSOMTKWIEYZQMG-NXEZZACHSA-N 0 0 237.211 1.598 40 5 BDBBRN CCOC(=O)c1cnn2ccc([N+](=O)[O-])cc12 ZINC000090470910 170304841 /nfs/dbraw/zinc/30/48/41/170304841.db2.gz KJZWPZDSRYGTRT-UHFFFAOYSA-N 0 0 235.199 1.419 40 5 BDBBRN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000026897302 170843633 /nfs/dbraw/zinc/84/36/33/170843633.db2.gz HWFULSRWSFXIFQ-QMMMGPOBSA-N 0 0 210.233 1.778 40 5 BDBBRN COC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000026898904 173896800 /nfs/dbraw/zinc/89/68/00/173896800.db2.gz CVECQSXVBHHMBT-UHFFFAOYSA-N 0 0 226.144 1.290 40 5 BDBBRN COC(=O)c1nc2ccc([N+](=O)[O-])cc2o1 ZINC000226240896 173916897 /nfs/dbraw/zinc/91/68/97/173916897.db2.gz XYDALYUIZQLICW-UHFFFAOYSA-N 0 0 222.156 1.523 40 5 BDBBRN COCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420457 174342187 /nfs/dbraw/zinc/34/21/87/174342187.db2.gz BBVGANBEJPKKHX-UHFFFAOYSA-N 0 0 214.196 1.792 40 5 BDBBRN COc1cc2ccc(=O)[nH]c2c([N+](=O)[O-])c1 ZINC000017021311 175018028 /nfs/dbraw/zinc/01/80/28/175018028.db2.gz IGCHHZZIFYTANC-UHFFFAOYSA-N 0 0 220.184 1.445 40 5 BDBBRN COc1ccc(-c2cc(N)on2)cc1[N+](=O)[O-] ZINC000003715928 175032471 /nfs/dbraw/zinc/03/24/71/175032471.db2.gz LFZFIYUMBYONMT-UHFFFAOYSA-N 0 0 235.199 1.841 40 5 BDBBRN C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000035388283 175897949 /nfs/dbraw/zinc/89/79/49/175897949.db2.gz COVATTUBIHNQFA-SSDOTTSWSA-N 0 0 224.216 1.158 40 5 BDBBRN NNc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033844118 262721293 /nfs/dbraw/zinc/72/12/93/262721293.db2.gz VOQIXBVKFYHUOD-UHFFFAOYSA-N 0 0 232.583 1.442 40 5 BDBBRN CC[N@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000038017803 361813212 /nfs/dbraw/zinc/81/32/12/361813212.db2.gz FGMQHFMWKHOJQR-UHFFFAOYSA-N 0 0 238.243 1.501 40 5 BDBBRN O=c1c2cccc3nnn(c32)c2ccccc21 ZINC000004984606 342755716 /nfs/dbraw/zinc/75/57/16/342755716.db2.gz FMCYQYPHLJBLFT-UHFFFAOYSA-N 0 0 221.219 1.834 40 5 BDBBRN Nc1ccc2c(c1)[nH]c1cc(N)ccc1c2=O ZINC000006622608 342780022 /nfs/dbraw/zinc/78/00/22/342780022.db2.gz KKKYRANCRKCGDB-UHFFFAOYSA-N 0 0 225.251 1.846 40 5 in-vitro BDBBRN O=c1ccc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000059734611 342858753 /nfs/dbraw/zinc/85/87/53/342858753.db2.gz AYVMIZPQHJLRLY-UHFFFAOYSA-N 0 0 216.196 1.950 40 5 BDBBRN O=[N+]([O-])c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC000002561229 133444624 /nfs/dbraw/zinc/44/46/24/133444624.db2.gz DNFXHVQODXVMBS-UHFFFAOYSA-N 0 0 207.145 1.984 40 5 BDBBRN O=[N+]([O-])c1ccc(-n2cnc(CO)c2)cc1 ZINC000034592246 347183735 /nfs/dbraw/zinc/18/37/35/347183735.db2.gz MJNJDBNKTNCWFN-UHFFFAOYSA-N 0 0 219.200 1.273 40 5 BDBBRN COC(=O)[C@@H]1CC(=O)c2cc([N+](=O)[O-])ccc21 ZINC000196482120 347507527 /nfs/dbraw/zinc/50/75/27/347507527.db2.gz CGNIUSOFHAVXFC-SECBINFHSA-N 0 0 235.195 1.438 40 5 BDBBRN Cc1nn(-c2ccccc2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000005536271 180331264 /nfs/dbraw/zinc/33/12/64/180331264.db2.gz PMLAZHPAHVRCBU-UHFFFAOYSA-N 0 0 248.198 1.997 40 5 BDBBRN C/C=C\C1OCC(CC)([N+](=O)[O-])CO1 ZINC000016892986 187761444 /nfs/dbraw/zinc/76/14/44/187761444.db2.gz PJTUIAHVKHAQKP-HYXAFXHYSA-N 0 0 201.222 1.361 40 5 BDBBRN Cn1nc(-c2ccccc2)nc1[N+](=O)[O-] ZINC000001678426 180800012 /nfs/dbraw/zinc/80/00/12/180800012.db2.gz NFBMECIYSPOVDT-UHFFFAOYSA-N 0 0 204.189 1.390 40 5 BDBBRN CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000211870259 355838146 /nfs/dbraw/zinc/83/81/46/355838146.db2.gz CRZWWNUXEWWIAT-RMKNXTFCSA-N 0 0 247.210 1.117 40 5 BDBBRN Cc1c(O)nc(-c2cccc([N+](=O)[O-])c2)oc1=O ZINC000016265021 356908276 /nfs/dbraw/zinc/90/82/76/356908276.db2.gz SAIVDAJLBZTVQD-UHFFFAOYSA-N 0 0 248.194 1.624 40 5 BDBBRN C[C@@H](COC(=O)c1ccccc1)[N+](=O)[O-] ZINC000001733905 357440749 /nfs/dbraw/zinc/44/07/49/357440749.db2.gz KSAIPBINPVHIPW-QMMMGPOBSA-N 0 0 209.201 1.509 40 5 BDBBRN Nc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000011851099 370767545 /nfs/dbraw/zinc/76/75/45/370767545.db2.gz ATHKBNBCSNXZHX-UHFFFAOYSA-N 0 0 205.173 1.832 40 5 BDBBRN COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000146861150 364691557 /nfs/dbraw/zinc/69/15/57/364691557.db2.gz NIIPWVYXFPJSDR-UHFFFAOYSA-N 0 0 220.184 1.863 40 5 BDBBRN Cn1cnc([N+](=O)[O-])c1Sc1ncccn1 ZINC000013282314 371030839 /nfs/dbraw/zinc/03/08/39/371030839.db2.gz LWMMNQZYZIXZCW-UHFFFAOYSA-N 0 0 237.244 1.270 40 5 BDBBRN Cc1c(C)[n+]([O-])c(-c2cccc([N+](=O)[O-])c2)n1O ZINC000003190194 371906196 /nfs/dbraw/zinc/90/61/96/371906196.db2.gz CRQGJIZFZAEXPX-UHFFFAOYSA-N 0 0 249.226 1.551 40 5 BDBBRN O=[N+]([O-])c1cccc2c(CCO)c[nH]c21 ZINC000242620228 372247381 /nfs/dbraw/zinc/24/73/81/372247381.db2.gz PZNKYARFWGPZKG-UHFFFAOYSA-N 0 0 206.201 1.611 40 5 BDBBRN O=C1NC[C@@H](Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000026892468 182810312 /nfs/dbraw/zinc/81/03/12/182810312.db2.gz JZCXNKOWDRDJCY-SECBINFHSA-N 0 0 222.200 1.246 40 5 BDBBRN CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000005591227 169233284 /nfs/dbraw/zinc/23/32/84/169233284.db2.gz HVAZLUHJIJABCK-UHFFFAOYSA-N 0 0 222.244 1.664 40 5 BDBBRN Nc1ccc([C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000199777567 384546149 /nfs/dbraw/zinc/54/61/49/384546149.db2.gz POJDACRITPTMOB-ZETCQYMHSA-N 0 0 235.243 1.171 40 5 BDBBRN Nc1cnc(Br)c([N+](=O)[O-])c1 ZINC000071256369 384745488 /nfs/dbraw/zinc/74/54/88/384745488.db2.gz HOJLDEBHMQLWME-UHFFFAOYSA-N 0 0 218.010 1.335 40 5 BDBBRN CCOC(=O)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000104140224 384803143 /nfs/dbraw/zinc/80/31/43/384803143.db2.gz AKWXORMMOJRIBI-UHFFFAOYSA-N 0 0 237.211 1.270 40 5 BDBBRN Cn1cc([N+](=O)[O-])c(NCc2ccco2)n1 ZINC000095098531 384841647 /nfs/dbraw/zinc/84/16/47/384841647.db2.gz CUOXVGKVQYONHF-UHFFFAOYSA-N 0 0 222.204 1.533 40 5 BDBBRN O=[N+]([O-])c1ccc(-c2nc(CO)co2)cc1 ZINC000095635218 385149385 /nfs/dbraw/zinc/14/93/85/385149385.db2.gz AKLVFZDAFAQUHP-UHFFFAOYSA-N 0 0 220.184 1.742 40 5 BDBBRN CCOC(=O)C(O)=Cc1sccc1[N+](=O)[O-] ZINC000001601594 387068974 /nfs/dbraw/zinc/06/89/74/387068974.db2.gz MNXMZYYQLKQJHX-UHFFFAOYSA-N 0 0 243.240 1.331 40 5 BDBBRN O=C([O-])CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035415425 387709846 /nfs/dbraw/zinc/70/98/46/387709846.db2.gz BWNZCYNSDGUJLD-UHFFFAOYSA-N 0 0 238.243 1.549 40 5 BDBBRN CC(=O)c1ncc([N+](=O)[O-])cc1Br ZINC000169800446 387869347 /nfs/dbraw/zinc/86/93/47/387869347.db2.gz JSHJPRIMTYZVLP-UHFFFAOYSA-N 0 0 245.032 1.955 40 5 BDBBRN CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1CO1 ZINC000036373651 388023601 /nfs/dbraw/zinc/02/36/01/388023601.db2.gz IWRGQRMIHJWMIH-VIFPVBQESA-N 0 0 237.211 1.575 40 5 in-vitro BDBBRN CC(C)(C)OC(=O)N1CC[C@@H]([N+](=O)[O-])C1 ZINC000075824219 388355242 /nfs/dbraw/zinc/35/52/42/388355242.db2.gz QDLAHUFDHRJWOE-SSDOTTSWSA-N 0 0 216.237 1.273 40 5 BDBBRN CCc1cc(C(N)=O)c(OC)c([N+](=O)[O-])c1 ZINC000057339203 388357559 /nfs/dbraw/zinc/35/75/59/388357559.db2.gz ZKORKQNQWPXVGI-UHFFFAOYSA-N 0 0 224.216 1.265 40 5 BDBBRN O=[N+]([O-])c1cc2c(cc1NC1CC1)OCO2 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/nfs/dbraw/zinc/43/66/46/344436646.db2.gz WTLBPABDLUUIGE-UHFFFAOYSA-N 0 0 220.188 1.535 40 5 BDBBRN CCOc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000039099851 344847051 /nfs/dbraw/zinc/84/70/51/344847051.db2.gz IAEHMOJGQYVUOX-UHFFFAOYSA-N 0 0 212.161 1.902 40 5 BDBBRN [NH3+][C@@H](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000044283629 345008021 /nfs/dbraw/zinc/00/80/21/345008021.db2.gz QPQIVFYGZYMIKD-ZETCQYMHSA-N 0 0 244.634 1.203 40 5 BDBBRN CC(=O)OCc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000001649302 346079233 /nfs/dbraw/zinc/07/92/33/346079233.db2.gz SRYOQHSXNKSURI-UHFFFAOYSA-N 0 0 239.183 1.387 40 5 BDBBRN Nc1ccc2nc3c(N)cccc3nc2c1 ZINC000005161745 347221914 /nfs/dbraw/zinc/22/19/14/347221914.db2.gz FRPNYDRHOLAYDZ-UHFFFAOYSA-N 0 0 210.240 1.947 40 5 BDBBRN Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1 ZINC000001842965 180059731 /nfs/dbraw/zinc/05/97/31/180059731.db2.gz NMTBSNPBIGRZBL-UHFFFAOYSA-N 0 0 248.198 1.997 40 5 in-man BDBBRN CC1=CC=C[C@H](Oc2ncnc(N)c2[N+](=O)[O-])C1 ZINC000026802691 188464272 /nfs/dbraw/zinc/46/42/72/188464272.db2.gz GCBUFHIXAUTWDG-QMMMGPOBSA-N 0 0 248.242 1.621 40 5 BDBBRN O=[N+]([O-])c1cnccc1-c1ccncc1[N+](=O)[O-] ZINC000015781687 355857992 /nfs/dbraw/zinc/85/79/92/355857992.db2.gz YWAJLBQBSMYGII-UHFFFAOYSA-N 0 0 246.182 1.960 40 5 BDBBRN NC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 ZINC000009265636 181248276 /nfs/dbraw/zinc/24/82/76/181248276.db2.gz YYXMZJQPWILXHU-AATRIKPKSA-N 0 0 245.238 1.374 40 5 BDBBRN NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020136250 181292013 /nfs/dbraw/zinc/29/20/13/181292013.db2.gz FPASADMLLORPAS-UHFFFAOYSA-N 0 0 232.195 1.954 40 5 BDBBRN CC(=O)Nc1ccc(C(C)=O)c([N+](=O)[O-])c1 ZINC000026893679 359529195 /nfs/dbraw/zinc/52/91/95/359529195.db2.gz XUZDJCOHEASLAG-UHFFFAOYSA-N 0 0 222.200 1.756 40 5 BDBBRN NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000039271605 181304931 /nfs/dbraw/zinc/30/49/31/181304931.db2.gz MCRCSTFZVNYBHR-UHFFFAOYSA-N 0 0 200.581 1.347 40 5 BDBBRN NC(=S)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000085397012 181320833 /nfs/dbraw/zinc/32/08/33/181320833.db2.gz NUXAWFBCHBBOJG-UHFFFAOYSA-N 0 0 248.210 1.830 40 5 BDBBRN C[C@H](O)CNc1ccc(O)cc1[N+](=O)[O-] ZINC000037593957 364243637 /nfs/dbraw/zinc/24/36/37/364243637.db2.gz AVALIEPHWXVQNC-LURJTMIESA-N 0 0 212.205 1.093 40 5 BDBBRN COC(=O)c1nn(CC(C)C)cc1[N+](=O)[O-] ZINC000143629790 368349266 /nfs/dbraw/zinc/34/92/66/368349266.db2.gz KLJLOIZSOFPDEG-UHFFFAOYSA-N 0 0 227.220 1.234 40 5 BDBBRN O=[N+]([O-])c1cc[n+]([O-])c(NCc2ccccc2)c1 ZINC000001703094 182926376 /nfs/dbraw/zinc/92/63/76/182926376.db2.gz RZHBQOIPROFFCK-UHFFFAOYSA-N 0 0 245.238 1.840 40 5 BDBBRN O=[N+]([O-])c1ccc(F)c(-n2cnnc2)c1 ZINC000070461536 182932028 /nfs/dbraw/zinc/93/20/28/182932028.db2.gz STADGSMPDAECAH-UHFFFAOYSA-N 0 0 208.152 1.315 40 5 BDBBRN O=c1ccc2c([N+](=O)[O-])ccc(F)c2[nH]1 ZINC000085399990 183000793 /nfs/dbraw/zinc/00/07/93/183000793.db2.gz PGWZFFKFMCCUJH-UHFFFAOYSA-N 0 0 208.148 1.575 40 5 BDBBRN CCCNc1ccc(-n2cnnc2)cc1[N+](=O)[O-] ZINC000216751934 169294214 /nfs/dbraw/zinc/29/42/14/169294214.db2.gz NGBJCBHUXUEGAL-UHFFFAOYSA-N 0 0 247.258 1.997 40 5 BDBBRN Cc1ccc([N+](=O)[O-])cc1-n1cnnc1 ZINC000070461533 384112466 /nfs/dbraw/zinc/11/24/66/384112466.db2.gz KXDNEYXWOOFZHC-UHFFFAOYSA-N 0 0 204.189 1.484 40 5 BDBBRN CCOC(=O)c1nn(CC(F)F)cc1[N+](=O)[O-] ZINC000408715819 384351942 /nfs/dbraw/zinc/35/19/42/384351942.db2.gz FEQRVWKNRGJZOQ-UHFFFAOYSA-N 0 0 249.173 1.233 40 5 BDBBRN CCS(=O)(=O)Cc1ccsc1[N+](=O)[O-] ZINC000096532759 385285177 /nfs/dbraw/zinc/28/51/77/385285177.db2.gz YRTUISSDNZBHFL-UHFFFAOYSA-N 0 0 235.286 1.591 40 5 BDBBRN COC(=O)c1cc([N+](=O)[O-])sc1N ZINC000015020441 386699255 /nfs/dbraw/zinc/69/92/55/386699255.db2.gz OVLUSSXPOANNKZ-UHFFFAOYSA-N 0 0 202.191 1.025 40 5 BDBBRN CC[C@H](CO)n1cnc2cc([N+](=O)[O-])ccc21 ZINC000001457074 386991784 /nfs/dbraw/zinc/99/17/84/386991784.db2.gz CSHXPVSOPPOXHS-MRVPVSSYSA-N 0 0 235.243 1.888 40 5 BDBBRN CC(=O)Nc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000001687547 387370890 /nfs/dbraw/zinc/37/08/90/387370890.db2.gz DZSOXCNNXCPHKO-UHFFFAOYSA-N 0 0 239.187 1.770 40 5 BDBBRN COC(=O)c1cc([N+](=O)[O-])cc(OC)c1OC ZINC000057339916 388357887 /nfs/dbraw/zinc/35/78/87/388357887.db2.gz GUFJBUIGMPTTOP-UHFFFAOYSA-N 0 0 241.199 1.399 40 5 BDBBRN O=[N+]([O-])c1ccc(CO)cc1Br ZINC000199713100 388654926 /nfs/dbraw/zinc/65/49/26/388654926.db2.gz OOBHGTPHIIVFLQ-UHFFFAOYSA-N 0 0 232.033 1.850 40 5 BDBBRN NNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000016384135 398051389 /nfs/dbraw/zinc/05/13/89/398051389.db2.gz HJHWMFDUNZTNCU-UHFFFAOYSA-N 0 0 221.138 1.899 40 5 BDBBRN CCC(=O)n1ncc2ccc([N+](=O)[O-])cc21 ZINC000001715968 168258596 /nfs/dbraw/zinc/25/85/96/168258596.db2.gz RUAPOJIWNCXRBH-UHFFFAOYSA-N 0 0 219.200 1.995 40 5 BDBBRN CCOC(=O)C[C@@H](C)[C@@H](CC)[N+](=O)[O-] ZINC000001696836 170231022 /nfs/dbraw/zinc/23/10/22/170231022.db2.gz UZHUGGMTFKMZBV-HTQZYQBOSA-N 0 0 203.238 1.631 40 5 BDBBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000034132958 170269259 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