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-])[C@H]1CCOC1 84307901 537907539 /nfs/dbraw/zinc/90/75/39/537907539.db2.gz PVFMRQLZRAMTQL-BYPYZUCNSA-N 0 0 117.104 0.052 50 5 ACBARN O=[N+]([O-])[C@@H]1CCOC1 84307898 537907876 /nfs/dbraw/zinc/90/78/76/537907876.db2.gz PVFMRQLZRAMTQL-SCSAIBSYSA-N 0 0 117.104 0.052 50 5 ACBARN O=[N+]([O-])c1ncn(C(F)F)n1 725265038 537929016 /nfs/dbraw/zinc/92/90/16/537929016.db2.gz YSBGCZYHAOFRJE-UHFFFAOYSA-N 0 0 164.071 0.581 50 5 ACBARN CN(C)c1cc(N)c([N+](=O)[O-])cn1 167103056 538167243 /nfs/dbraw/zinc/16/72/43/538167243.db2.gz IEAPFVLNAAWLGX-UHFFFAOYSA-N 0 0 182.183 0.638 50 5 ACBARN Nc1cc(N2CCC2)ncc1[N+](=O)[O-] 669382624 538446156 /nfs/dbraw/zinc/44/61/56/538446156.db2.gz FEAAAHWGXAOECU-UHFFFAOYSA-N 0 0 194.194 0.782 50 5 ACBARN Cc1c[nH]c(C=C[N+](=O)[O-])n1 142496784 541305603 /nfs/dbraw/zinc/30/56/03/541305603.db2.gz LUGCPLXFLXRRNJ-NSCUHMNNSA-N 0 0 153.141 0.966 50 5 ACBARN O=[N+]([O-])C=Cc1c[nH]cn1 144194253 541307787 /nfs/dbraw/zinc/30/77/87/541307787.db2.gz VFCANXAVQUKARJ-OWOJBTEDSA-N 0 0 139.114 0.657 50 5 ACBARN CC(=O)c1cc(=O)[nH]cc1[N+](=O)[O-] 952876411 757568181 /nfs/dbraw/zinc/56/81/81/757568181.db2.gz PVUSGPRCANOJSO-UHFFFAOYSA-N 0 0 182.135 0.898 50 5 ACBARN COC(=O)[C@H]1C[C@H]([N+](=O)[O-])C1 757122859 673915159 /nfs/dbraw/zinc/91/51/59/673915159.db2.gz LYCGPUYPMSQZKH-URHBZAFASA-N 0 0 159.141 0.215 50 5 ACBARN O=[N+]([O-])c1c[nH]c(=S)[nH]c1=S 25493763 491021075 /nfs/dbraw/zinc/02/10/75/491021075.db2.gz STAKIXGTVYGYMS-UHFFFAOYSA-N 0 0 189.221 0.962 50 5 ACBARN O=[N+]([O-])c1n[nH]c(Br)n1 15446333 697618160 /nfs/dbraw/zinc/61/81/60/697618160.db2.gz XXAMCWVPBITOGA-UHFFFAOYSA-N 0 0 192.960 0.475 50 5 in-vitro ACBARN CC1(C)N=c2ccc([N+](=O)[O-])cc2=N1 84491 342926237 /nfs/dbraw/zinc/92/62/37/342926237.db2.gz BGXUJUIVLIDCTP-UHFFFAOYSA-N 0 0 191.190 0.584 50 5 ACBARN NC(=O)c1cccc([N+](=O)[O-])c1 153288 342928538 /nfs/dbraw/zinc/92/85/38/342928538.db2.gz KWAYEPXDGHYGRW-UHFFFAOYSA-N 0 0 166.136 0.694 50 5 in-vitro ACBARN CNC(=O)c1cccc([N+](=O)[O-])c1 305091 342933309 /nfs/dbraw/zinc/93/33/09/342933309.db2.gz KKNRKRLMGLMZDK-UHFFFAOYSA-N 0 0 180.163 0.954 50 5 in-vitro ACBARN O=[N+]([O-])c1c[nH]c2c1ccc[n+]2[O-] 1565146 342947915 /nfs/dbraw/zinc/94/79/15/342947915.db2.gz GQTWAGYNMJJEDX-UHFFFAOYSA-N 0 0 179.135 0.710 50 5 in-vitro ACBARN CC(C)C[N+](=O)[O-] 1666939 342955568 /nfs/dbraw/zinc/95/55/68/342955568.db2.gz XFXRMDNWSGXSNJ-UHFFFAOYSA-N 0 0 103.121 0.919 50 5 ACBARN CC[C@@H](CO)[N+](=O)[O-] 1666906 342955593 /nfs/dbraw/zinc/95/55/93/342955593.db2.gz MHIHRIPETCJEMQ-BYPYZUCNSA-N 0 0 119.120 0.034 50 5 ACBARN CC[C@@H]([C@H](O)CC)[N+](=O)[O-] 1666920 342955630 /nfs/dbraw/zinc/95/56/30/342955630.db2.gz XIXNQTGGBNDDMJ-NTSWFWBYSA-N 0 0 147.174 0.813 50 5 ACBARN CCC(C)(C[N+](=O)[O-])C[N+](=O)[O-] 2166661 342970379 /nfs/dbraw/zinc/97/03/79/342970379.db2.gz VUBOCRBRIDCPDX-UHFFFAOYSA-N 0 0 176.172 0.956 50 5 ACBARN CCn1ccc([N+](=O)[O-])n1 2537792 342975465 /nfs/dbraw/zinc/97/54/65/342975465.db2.gz RWOWBWIASXSRFO-UHFFFAOYSA-N 0 0 141.130 0.811 50 5 in-vitro ACBARN Cc1nn(C)c(N)c1[N+](=O)[O-] 4293741 342990071 /nfs/dbraw/zinc/99/00/71/342990071.db2.gz BSUSGJKEVOQESO-UHFFFAOYSA-N 0 0 156.145 0.219 50 5 ACBARN Cc1nc(N)nc(Cl)c1[N+](=O)[O-] 4808177 342996120 /nfs/dbraw/zinc/99/61/20/342996120.db2.gz GZVHDXMPPJYNJK-UHFFFAOYSA-N 0 0 188.574 0.929 50 5 in-vitro ACBARN Cc1c([N+](=O)[O-])cc[n+]([O-])c1C 4831092 342996164 /nfs/dbraw/zinc/99/61/64/342996164.db2.gz CFMTVTYBZMKULI-UHFFFAOYSA-N 0 0 168.152 0.845 50 5 in-vitro ACBARN Cc1c([N+](=O)[O-])c(=O)[nH]n2cnnc12 5490281 343003473 /nfs/dbraw/zinc/00/34/73/343003473.db2.gz PILVNUKARTZNJM-UHFFFAOYSA-N 0 0 195.138 0.047 50 5 ACBARN CN(C)c1c[n+]([O-])ccc1[N+](=O)[O-] 6169255 343013247 /nfs/dbraw/zinc/01/32/47/343013247.db2.gz GCOXNCSCJNAVKC-UHFFFAOYSA-N 0 0 183.167 0.294 50 5 ACBARN Cc1cn2nc([N+](=O)[O-])cc2c(=O)o1 8782526 343021045 /nfs/dbraw/zinc/02/10/45/343021045.db2.gz QYRYYLAQDKIGFF-UHFFFAOYSA-N 0 0 195.134 0.504 50 5 ACBARN Cc1c[nH]c(=O)c([N+](=O)[O-])c1 9490617 343021771 /nfs/dbraw/zinc/02/17/71/343021771.db2.gz QAINEQVHSHARMD-UHFFFAOYSA-N 0 0 154.125 0.592 50 5 in-vitro ACBARN CCn1nccc1[N+](=O)[O-] 12395652 343029581 /nfs/dbraw/zinc/02/95/81/343029581.db2.gz GOYNSKFWMUFADH-UHFFFAOYSA-N 0 0 141.130 0.811 50 5 in-vitro ACBARN Cc1c[nH]c(=NN)c([N+](=O)[O-])c1 12471852 343031423 /nfs/dbraw/zinc/03/14/23/343031423.db2.gz XDMWWISPNLFVGD-UHFFFAOYSA-N 0 0 168.156 0.584 50 5 in-vitro ACBARN Cc1nc([N+](=O)[O-])c[nH]1 18172810 343048371 /nfs/dbraw/zinc/04/83/71/343048371.db2.gz FFYTTYVSDVWNMY-UHFFFAOYSA-N 0 0 127.103 0.626 50 5 in-vitro ACBARN Cc1n[nH]cc1[N+](=O)[O-] 18166912 343048424 /nfs/dbraw/zinc/04/84/24/343048424.db2.gz WTZYTQJELOHMMJ-UHFFFAOYSA-N 0 0 127.103 0.626 50 5 in-vitro ACBARN Cc1ncc([N+](=O)[O-])cn1 18811245 343048902 /nfs/dbraw/zinc/04/89/02/343048902.db2.gz NLGWYOYUTYUEQT-UHFFFAOYSA-N 0 0 139.114 0.693 50 5 in-vitro ACBARN Cc1ccnc(NCCO)c1[N+](=O)[O-] 19815703 343061331 /nfs/dbraw/zinc/06/13/31/343061331.db2.gz FGAQDFACEDARGF-UHFFFAOYSA-N 0 0 197.194 0.702 50 5 ACBARN Cc1c([N+](=O)[O-])ccnc1CO 20358117 343071995 /nfs/dbraw/zinc/07/19/95/343071995.db2.gz YFYLOUJBRSOJSQ-UHFFFAOYSA-N 0 0 168.152 0.791 50 5 ACBARN Cc1cnc(N)c([N+](=O)[O-])c1 20357575 343072006 /nfs/dbraw/zinc/07/20/06/343072006.db2.gz ZJKGRSJMFDIRPX-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN CCn1nc([N+](=O)[O-])c(N)c1C 22638093 343082303 /nfs/dbraw/zinc/08/23/03/343082303.db2.gz AMALFNGSGRNJJM-UHFFFAOYSA-N 0 0 170.172 0.702 50 5 ACBARN CN(C)c1ncc([N+](=O)[O-])cn1 32207496 343100789 /nfs/dbraw/zinc/10/07/89/343100789.db2.gz IFFZVNFNYKKNFB-UHFFFAOYSA-N 0 0 168.156 0.451 50 5 ACBARN CC([C@H](O)C(F)F)[N+](=O)[O-] 36458675 343145884 /nfs/dbraw/zinc/14/58/84/343145884.db2.gz BJDXAXMDSACXOY-GBXIJSLDSA-N 0 0 155.100 0.278 50 5 ACBARN CNC(=O)c1cc([N+](=O)[O-])ccc1N 50697513 343285881 /nfs/dbraw/zinc/28/58/81/343285881.db2.gz YXSONAQPOSKOKV-UHFFFAOYSA-N 0 0 195.178 0.537 50 5 ACBARN CN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 85432397 343644155 /nfs/dbraw/zinc/64/41/55/343644155.db2.gz FUTDDHKXFBQKST-UHFFFAOYSA-N 0 0 184.155 0.020 50 5 ACBARN Cc1cc([N+](=O)[O-])cn2nnnc12 95495630 343683869 /nfs/dbraw/zinc/68/38/69/343683869.db2.gz MXXSHJBYKGYDIG-UHFFFAOYSA-N 0 0 179.139 0.341 50 5 in-vitro ACBARN CC(=O)CCC[N+](=O)[O-] 3190277 166242125 /nfs/dbraw/zinc/24/21/25/166242125.db2.gz MBFOTTCUUAIBDW-UHFFFAOYSA-N 0 0 131.131 0.632 50 5 ACBARN CC(=O)CC[N+](=O)[O-] 38265122 166244755 /nfs/dbraw/zinc/24/47/55/166244755.db2.gz ZZUHQGCKXVUCFZ-UHFFFAOYSA-N 0 0 117.104 0.242 50 5 in-vitro ACBARN CC(=O)CCn1cnc([N+](=O)[O-])n1 2511872 166245077 /nfs/dbraw/zinc/24/50/77/166245077.db2.gz TVOPQTRZSBLUNV-UHFFFAOYSA-N 0 0 184.155 0.165 50 5 in-vitro ACBARN CC(=O)Cn1ccc([N+](=O)[O-])n1 60422 166249343 /nfs/dbraw/zinc/24/93/43/166249343.db2.gz RIBGYLUDUASCIU-UHFFFAOYSA-N 0 0 169.140 0.380 50 5 in-vitro ACBARN CC(=O)Cn1cc([N+](=O)[O-])cn1 49640 166249355 /nfs/dbraw/zinc/24/93/55/166249355.db2.gz PKQRYSOYVRXKOH-UHFFFAOYSA-N 0 0 169.140 0.380 50 5 in-vitro ACBARN CC(=O)Cn1nc([N+](=O)[O-])cc1C 482717 166251771 /nfs/dbraw/zinc/25/17/71/166251771.db2.gz QPBIALMZSYFKER-UHFFFAOYSA-N 0 0 183.167 0.689 50 5 in-vitro ACBARN CC(=O)N(C)c1nn(C)cc1[N+](=O)[O-] 4729072 166252204 /nfs/dbraw/zinc/25/22/04/166252204.db2.gz POXOCMWDKFLIHX-UHFFFAOYSA-N 0 0 198.182 0.311 50 5 ACBARN CC(=O)N(C)c1ccc([N+](=O)[O-])cn1 71774386 166252658 /nfs/dbraw/zinc/25/26/58/166252658.db2.gz AGHSHBCYCPATDY-UHFFFAOYSA-N 0 0 195.178 0.973 50 5 ACBARN CC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 2518451 166252708 /nfs/dbraw/zinc/25/27/08/166252708.db2.gz VJZWEQIULJNRTP-UHFFFAOYSA-N 0 0 197.194 0.997 50 5 in-vitro ACBARN CC(=O)Nc1ccc([N+](=O)[O-])cn1 4113847 166284081 /nfs/dbraw/zinc/28/40/81/166284081.db2.gz XKAASKOXADTLIG-UHFFFAOYSA-N 0 0 181.151 0.948 50 5 in-vitro ACBARN CC(=O)Nc1ccncc1[N+](=O)[O-] 5283613 166286092 /nfs/dbraw/zinc/28/60/92/166286092.db2.gz YXAMTQAVAJACLQ-UHFFFAOYSA-N 0 0 181.151 0.948 50 5 ACBARN CC(=O)Nc1ncccc1[N+](=O)[O-] 5283551 166286799 /nfs/dbraw/zinc/28/67/99/166286799.db2.gz WSEDMMYPNMRUMU-UHFFFAOYSA-N 0 0 181.151 0.948 50 5 in-vitro ACBARN CC(=O)c1n[nH]cc1[N+](=O)[O-] 95830550 166314357 /nfs/dbraw/zinc/31/43/57/166314357.db2.gz LJGXIJAVQQCOIP-UHFFFAOYSA-N 0 0 155.113 0.521 50 5 ACBARN CC(=O)c1c([N+](=O)[O-])cnn1C 2536686 166316709 /nfs/dbraw/zinc/31/67/09/166316709.db2.gz IEPWZWOJPQMRHI-UHFFFAOYSA-N 0 0 169.140 0.531 50 5 ACBARN CC(=O)c1cc([N+](=O)[O-])on1 4180505 166322523 /nfs/dbraw/zinc/32/25/23/166322523.db2.gz AUAKIVSEIKDQPZ-UHFFFAOYSA-N 0 0 156.097 0.785 50 5 ACBARN CC(=O)c1cc([N+](=O)[O-])nn1C 82401652 166323066 /nfs/dbraw/zinc/32/30/66/166323066.db2.gz HYOCXDWDAGEALZ-UHFFFAOYSA-N 0 0 169.140 0.531 50 5 in-vitro ACBARN CC(=O)c1nn(C)cc1[N+](=O)[O-] 2536683 166335567 /nfs/dbraw/zinc/33/55/67/166335567.db2.gz IPZOMPOVKHIXAL-UHFFFAOYSA-N 0 0 169.140 0.531 50 5 in-vitro ACBARN CC(C)(C)N1CC(CO)([N+](=O)[O-])C1 19723299 166359674 /nfs/dbraw/zinc/35/96/74/166359674.db2.gz ZLYKMXLCTFBEGU-UHFFFAOYSA-N 0 0 188.227 0.108 50 5 ACBARN CC(C)(C)OC(=O)CC[N+](=O)[O-] 38234400 166368718 /nfs/dbraw/zinc/36/87/18/166368718.db2.gz QHYQEYIFTIIWFH-UHFFFAOYSA-N 0 0 175.184 0.995 50 5 ACBARN CC(C)(C)n1cnc([N+](=O)[O-])n1 79065565 166392031 /nfs/dbraw/zinc/39/20/31/166392031.db2.gz BPLNOVCERPNHDL-UHFFFAOYSA-N 0 0 170.172 0.941 50 5 ACBARN CC(C)(CCCO)[N+](=O)[O-] 1571164 166392576 /nfs/dbraw/zinc/39/25/76/166392576.db2.gz DBYMNHYVMTWSLQ-UHFFFAOYSA-N 0 0 147.174 0.814 50 5 ACBARN CC(C)(CO)[N+](=O)[O-] 1758993 166399217 /nfs/dbraw/zinc/39/92/17/166399217.db2.gz MVGJRISPEUZYAQ-UHFFFAOYSA-N 0 0 119.120 0.034 50 5 ACBARN CC(C)Nc1ncnc(N)c1[N+](=O)[O-] 3912480 166553048 /nfs/dbraw/zinc/55/30/48/166553048.db2.gz YXCULFHZYODYQX-UHFFFAOYSA-N 0 0 197.198 0.787 50 5 ACBARN CC(C)c1n[nH]c(C(N)=O)c1[N+](=O)[O-] 22160201 166623435 /nfs/dbraw/zinc/62/34/35/166623435.db2.gz XHVOHNXZRCGUEH-UHFFFAOYSA-N 0 0 198.182 0.540 50 5 in-vitro ACBARN CCCNc1ncnc(N)c1[N+](=O)[O-] 3912478 167009668 /nfs/dbraw/zinc/00/96/68/167009668.db2.gz ADOPDOOIYHHOAP-UHFFFAOYSA-N 0 0 197.198 0.789 50 5 ACBARN CCCOC(=O)c1n[nH]cc1[N+](=O)[O-] 5385627 167011138 /nfs/dbraw/zinc/01/11/38/167011138.db2.gz XEMFUPYEXVRINL-UHFFFAOYSA-N 0 0 199.166 0.885 50 5 ACBARN CCC[C@@H](COC(C)=O)[N+](=O)[O-] 3074828 167044186 /nfs/dbraw/zinc/04/41/86/167044186.db2.gz FCADDMKZOFYITK-ZETCQYMHSA-N 0 0 175.184 0.995 50 5 ACBARN CCC[C@H](COC(C)=O)[N+](=O)[O-] 3074829 167079975 /nfs/dbraw/zinc/07/99/75/167079975.db2.gz FCADDMKZOFYITK-SSDOTTSWSA-N 0 0 175.184 0.995 50 5 ACBARN CCC[N+](=O)[O-] 1693429 167096267 /nfs/dbraw/zinc/09/62/67/167096267.db2.gz JSZOAYXJRCEYSX-UHFFFAOYSA-N 0 0 89.094 0.673 50 5 in-vitro ACBARN CCCc1n[nH]c(C(N)=O)c1[N+](=O)[O-] 22159268 167106813 /nfs/dbraw/zinc/10/68/13/167106813.db2.gz OEOQYHINYSQQOO-UHFFFAOYSA-N 0 0 198.182 0.369 50 5 ACBARN CCN(C)c1ncc([N+](=O)[O-])c(N)n1 96361321 167149668 /nfs/dbraw/zinc/14/96/68/167149668.db2.gz GSZYCSDBDVFCGK-UHFFFAOYSA-N 0 0 197.198 0.423 50 5 ACBARN CCN(CC)c1nc([N+](=O)[O-])nn1C 4558142 167177512 /nfs/dbraw/zinc/17/75/12/167177512.db2.gz LBXLWAKKZCKYIE-UHFFFAOYSA-N 0 0 199.214 0.570 50 5 ACBARN CCNC(=O)c1ccc([N+](=O)[O-])o1 3251957 167251496 /nfs/dbraw/zinc/25/14/96/167251496.db2.gz SSPCENYOHFMZLC-UHFFFAOYSA-N 0 0 184.151 0.938 50 5 ACBARN CCNC(=O)c1c([N+](=O)[O-])cnn1C 72209486 167251768 /nfs/dbraw/zinc/25/17/68/167251768.db2.gz NUBDIURWXQYLBP-UHFFFAOYSA-N 0 0 198.182 0.078 50 5 ACBARN CCNC(=O)c1ccc([N+](=O)[O-])cn1 95495966 167253263 /nfs/dbraw/zinc/25/32/63/167253263.db2.gz HUBAHLOHRNATIV-UHFFFAOYSA-N 0 0 195.178 0.740 50 5 ACBARN CCNC(=O)c1nn(C)cc1[N+](=O)[O-] 85432406 167256175 /nfs/dbraw/zinc/25/61/75/167256175.db2.gz NUVPBHLBADCDPH-UHFFFAOYSA-N 0 0 198.182 0.078 50 5 ACBARN CCNc1c([N+](=O)[O-])ncn1C 4417723 167306440 /nfs/dbraw/zinc/30/64/40/167306440.db2.gz SEAFFHBOQTYLPC-UHFFFAOYSA-N 0 0 170.172 0.760 50 5 ACBARN CCNc1nc(C)c([N+](=O)[O-])c(N)n1 95117407 167314599 /nfs/dbraw/zinc/31/45/99/167314599.db2.gz CZNIMMDVLPJABZ-UHFFFAOYSA-N 0 0 197.198 0.707 50 5 ACBARN CCOC(=O)C(C)(C)C[N+](=O)[O-] 2141615 167323343 /nfs/dbraw/zinc/32/33/43/167323343.db2.gz CXDGMDLJYJCXFD-UHFFFAOYSA-N 0 0 175.184 0.852 50 5 ACBARN CCOC(=O)CC[C@@H](C)[N+](=O)[O-] 34153193 167331255 /nfs/dbraw/zinc/33/12/55/167331255.db2.gz HSKYYRXKUNNOMT-ZCFIWIBFSA-N 0 0 175.184 0.995 50 5 ACBARN CCOC(=O)CCC[N+](=O)[O-] 2141665 167331622 /nfs/dbraw/zinc/33/16/22/167331622.db2.gz JDCIBQNRJNANBE-UHFFFAOYSA-N 0 0 161.157 0.606 50 5 ACBARN CCOC(=O)CC[C@H](C)[N+](=O)[O-] 34153194 167333120 /nfs/dbraw/zinc/33/31/20/167333120.db2.gz HSKYYRXKUNNOMT-LURJTMIESA-N 0 0 175.184 0.995 50 5 ACBARN CCOC(=O)CC[N+](=O)[O-] 14614148 167333323 /nfs/dbraw/zinc/33/33/23/167333323.db2.gz IIJLLHGPEZBIIT-UHFFFAOYSA-N 0 0 147.130 0.216 50 5 in-vitro ACBARN CCOC(=O)Cn1ccc([N+](=O)[O-])n1 2381375 167338498 /nfs/dbraw/zinc/33/84/98/167338498.db2.gz AOTWNAYPOPITHS-UHFFFAOYSA-N 0 0 199.166 0.354 50 5 in-vitro ACBARN CCOC(=O)Cn1cc([N+](=O)[O-])cn1 28379 167339225 /nfs/dbraw/zinc/33/92/25/167339225.db2.gz XDEFHGLUBFLYGV-UHFFFAOYSA-N 0 0 199.166 0.354 50 5 in-vitro ACBARN CCOC(=O)Cc1n[nH]cc1[N+](=O)[O-] 34927097 167339883 /nfs/dbraw/zinc/33/98/83/167339883.db2.gz PPPBSCSECSYZFK-UHFFFAOYSA-N 0 0 199.166 0.424 50 5 ACBARN CCOC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 34936494 167367741 /nfs/dbraw/zinc/36/77/41/167367741.db2.gz SEOSHNJYGNBYDJ-UHFFFAOYSA-N 0 0 199.166 0.803 50 5 in-vitro ACBARN CCOC(=O)c1cc([N+](=O)[O-])n(C)n1 85432362 167368552 /nfs/dbraw/zinc/36/85/52/167368552.db2.gz LYBOVMLZJSLCIG-UHFFFAOYSA-N 0 0 199.166 0.505 50 5 ACBARN CCOC(=O)c1cc([N+](=O)[O-])nn1C 47474142 167368885 /nfs/dbraw/zinc/36/88/85/167368885.db2.gz XAVAKIWHFFUSFO-UHFFFAOYSA-N 0 0 199.166 0.505 50 5 in-vitro ACBARN CCOC(=O)c1cc([N+](=O)[O-])n[nH]1 5129356 167370196 /nfs/dbraw/zinc/37/01/96/167370196.db2.gz SNZZJCBTYCCHNG-UHFFFAOYSA-N 0 0 185.139 0.495 50 5 ACBARN CCOC(=O)c1cnc([N+](=O)[O-])n1C 13207564 167375462 /nfs/dbraw/zinc/37/54/62/167375462.db2.gz VRARWXJAWCRJCX-UHFFFAOYSA-N 0 0 199.166 0.505 50 5 ACBARN CCOC(=O)c1n[nH]cc1[N+](=O)[O-] 5478956 167375877 /nfs/dbraw/zinc/37/58/77/167375877.db2.gz GNGKEGKMDXAMKJ-UHFFFAOYSA-N 0 0 185.139 0.495 50 5 in-vitro ACBARN CCOC(=O)c1nn(C)cc1[N+](=O)[O-] 508314 167377463 /nfs/dbraw/zinc/37/74/63/167377463.db2.gz PXCUJUDQULVFFJ-UHFFFAOYSA-N 0 0 199.166 0.505 50 5 ACBARN CCOC(=O)c1nc([N+](=O)[O-])cn1C 2511034 167377889 /nfs/dbraw/zinc/37/78/89/167377889.db2.gz QGTGFMLXIBQONB-UHFFFAOYSA-N 0 0 199.166 0.505 50 5 in-vitro ACBARN CCOC(=O)c1ncc([N+](=O)[O-])n1C 2511039 167378114 /nfs/dbraw/zinc/37/81/14/167378114.db2.gz IFMBEWCVGFBHPO-UHFFFAOYSA-N 0 0 199.166 0.505 50 5 in-vitro ACBARN CCOC(C[N+](=O)[O-])OCC 2539588 167380356 /nfs/dbraw/zinc/38/03/56/167380356.db2.gz MDYWSMNYPFOQOU-UHFFFAOYSA-N 0 0 163.173 0.662 50 5 in-vitro ACBARN CC[C@@H](COC(C)=O)[N+](=O)[O-] 1715633 167518074 /nfs/dbraw/zinc/51/80/74/167518074.db2.gz RLBLQZQADXRYKU-LURJTMIESA-N 0 0 161.157 0.605 50 5 ACBARN CC[C@@H](O)C(C)(C)[N+](=O)[O-] 1759030 167533431 /nfs/dbraw/zinc/53/34/31/167533431.db2.gz XGIVOZBEDLLCCO-RXMQYKEDSA-N 0 0 147.174 0.813 50 5 ACBARN CC[C@@H](O)[C@@H](CC)[N+](=O)[O-] 1666921 167540815 /nfs/dbraw/zinc/54/08/15/167540815.db2.gz XIXNQTGGBNDDMJ-PHDIDXHHSA-N 0 0 147.174 0.813 50 5 ACBARN CC[C@H](Cn1ccnc1)[N+](=O)[O-] 1422559 167649233 /nfs/dbraw/zinc/64/92/33/167649233.db2.gz ZGTKXSKRMXWGPW-SSDOTTSWSA-N 0 0 169.184 0.938 50 5 ACBARN CC[C@](C)(CO)[N+](=O)[O-] 71773643 167705244 /nfs/dbraw/zinc/70/52/44/167705244.db2.gz SEAMRWZKMYUKOI-RXMQYKEDSA-N 0 0 133.147 0.424 50 5 ACBARN CC[N+](C)(C)CCCS(=O)(=O)[O-] 2245241 167713821 /nfs/dbraw/zinc/71/38/21/167713821.db2.gz NNCRHRDBFDCWPA-UHFFFAOYSA-O 0 0 196.292 0.361 50 5 in-vivo ACBARN CCc1c([N+](=O)[O-])ccc(=O)n1C 97463341 167722594 /nfs/dbraw/zinc/72/25/94/167722594.db2.gz VEPFRCZWPSAYTQ-UHFFFAOYSA-N 0 0 182.179 0.856 50 5 ACBARN CCn1cc([N+](=O)[O-])c(C(=O)OC)n1 12396085 167802507 /nfs/dbraw/zinc/80/25/07/167802507.db2.gz HCXMLRVXGCCXIP-UHFFFAOYSA-N 0 0 199.166 0.598 50 5 ACBARN CCn1cc([N+](=O)[O-])c([N+](=O)[O-])n1 95836832 167803946 /nfs/dbraw/zinc/80/39/46/167803946.db2.gz MXTUUGGKKRBKNS-UHFFFAOYSA-N 0 0 186.127 0.719 50 5 ACBARN CN(C)C(=O)c1c([N+](=O)[O-])cnn1C 192498 167826312 /nfs/dbraw/zinc/82/63/12/167826312.db2.gz ATBCUZLHPUHKAZ-UHFFFAOYSA-N 0 0 198.182 0.030 50 5 ACBARN CN(N)c1ccc([N+](=O)[O-])cn1 95215835 167890536 /nfs/dbraw/zinc/89/05/36/167890536.db2.gz VYCJXQFFGALZRE-UHFFFAOYSA-N 0 0 168.156 0.300 50 5 ACBARN CNc1c([N+](=O)[O-])ncn1C 4728687 168062634 /nfs/dbraw/zinc/06/26/34/168062634.db2.gz INOKTQSWYWYYFI-UHFFFAOYSA-N 0 0 156.145 0.370 50 5 ACBARN CNc1c([N+](=O)[O-])cncc1[N+](=O)[O-] 25630443 168062873 /nfs/dbraw/zinc/06/28/73/168062873.db2.gz YHIVWGVBZFVPTQ-UHFFFAOYSA-N 0 0 198.138 0.940 50 5 ACBARN CNc1n[nH]cc1[N+](=O)[O-] 4002765 168063153 /nfs/dbraw/zinc/06/31/53/168063153.db2.gz XMTMZLUPTWHNHF-UHFFFAOYSA-N 0 0 142.118 0.360 50 5 ACBARN CNc1ccc([N+](=O)[O-])cc1C(N)=O 49932411 168067478 /nfs/dbraw/zinc/06/74/78/168067478.db2.gz DCBBSWPWXPAZIH-UHFFFAOYSA-N 0 0 195.178 0.735 50 5 ACBARN CNc1nc(N)c([N+](=O)[O-])c(NC)n1 27986080 168070005 /nfs/dbraw/zinc/07/00/05/168070005.db2.gz PQARZVMYTVIOAT-UHFFFAOYSA-N 0 0 198.186 0.050 50 5 ACBARN CNc1nc(N)ncc1[N+](=O)[O-] 4085822 168070680 /nfs/dbraw/zinc/07/06/80/168070680.db2.gz LCSKXWALQLGWAM-UHFFFAOYSA-N 0 0 169.144 0.009 50 5 ACBARN CNc1ncc([N+](=O)[O-])c(N)n1 4822309 168072580 /nfs/dbraw/zinc/07/25/80/168072580.db2.gz BEXUNUZAIDKXCR-UHFFFAOYSA-N 0 0 169.144 0.009 50 5 ACBARN CNc1nn(C(C)=O)cc1[N+](=O)[O-] 5186891 168074122 /nfs/dbraw/zinc/07/41/22/168074122.db2.gz KFXFQLBQFOHELA-UHFFFAOYSA-N 0 0 184.155 0.493 50 5 ACBARN COC(=O)CCC(C)(C)[N+](=O)[O-] 1691721 168085520 /nfs/dbraw/zinc/08/55/20/168085520.db2.gz MROVMGGCWUQHMR-UHFFFAOYSA-N 0 0 175.184 0.995 50 5 in-vitro ACBARN COC(=O)CCC[N+](=O)[O-] 1715186 168086551 /nfs/dbraw/zinc/08/65/51/168086551.db2.gz UBSPKGKFFQKZJB-UHFFFAOYSA-N 0 0 147.130 0.216 50 5 in-vitro ACBARN COC(=O)CCn1ccc([N+](=O)[O-])n1 2534324 168089120 /nfs/dbraw/zinc/08/91/20/168089120.db2.gz ZJGCBZXUUGXSOD-UHFFFAOYSA-N 0 0 199.166 0.354 50 5 ACBARN COC(=O)CCn1cc([N+](=O)[O-])cn1 2506005 168090263 /nfs/dbraw/zinc/09/02/63/168090263.db2.gz VLENHGGZYGPCJH-UHFFFAOYSA-N 0 0 199.166 0.354 50 5 ACBARN COC(=O)C[C@H](C)C[N+](=O)[O-] 34111260 168094789 /nfs/dbraw/zinc/09/47/89/168094789.db2.gz DZQJCNUWYDGVCF-YFKPBYRVSA-N 0 0 161.157 0.462 50 5 in-vitro ACBARN COC(=O)C[C@@H](C)C[N+](=O)[O-] 34111261 168094792 /nfs/dbraw/zinc/09/47/92/168094792.db2.gz DZQJCNUWYDGVCF-RXMQYKEDSA-N 0 0 161.157 0.462 50 5 in-vitro ACBARN COC(=O)Cn1ncc([N+](=O)[O-])c1C 72334190 168097907 /nfs/dbraw/zinc/09/79/07/168097907.db2.gz VVZABLYOAAXUBJ-UHFFFAOYSA-N 0 0 199.166 0.273 50 5 in-vitro ACBARN COC(=O)Cn1cc([N+](=O)[O-])c(C)n1 2534359 168098060 /nfs/dbraw/zinc/09/80/60/168098060.db2.gz HSDMJNVKZOKGSY-UHFFFAOYSA-N 0 0 199.166 0.273 50 5 in-vitro ACBARN COC(=O)Cn1cc([N+](=O)[O-])nc1C 269034 168098334 /nfs/dbraw/zinc/09/83/34/168098334.db2.gz UBPSDJINTHTAGK-UHFFFAOYSA-N 0 0 199.166 0.273 50 5 ACBARN COC(=O)Cn1c([N+](=O)[O-])cnc1C 566636 168098486 /nfs/dbraw/zinc/09/84/86/168098486.db2.gz NVGYIYCHYCPAKA-UHFFFAOYSA-N 0 0 199.166 0.273 50 5 ACBARN COC(=O)Cc1ccc([N+](=O)[O-])cn1 82046863 168099149 /nfs/dbraw/zinc/09/91/49/168099149.db2.gz HWAYALCUMDVEIK-UHFFFAOYSA-N 0 0 196.162 0.705 50 5 in-vitro ACBARN COC(=O)c1c([N+](=O)[O-])cnn1C 1066514 168125977 /nfs/dbraw/zinc/12/59/77/168125977.db2.gz ANWHCLPGJQUYRX-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 in-vitro ACBARN COC(=O)c1c[nH]nc1[N+](=O)[O-] 95836843 168127032 /nfs/dbraw/zinc/12/70/32/168127032.db2.gz WIDBAXLHOTZXJE-UHFFFAOYSA-N 0 0 171.112 0.105 50 5 ACBARN COC(=O)c1c([N+](=O)[O-])c(C)nn1C 120361 168127053 /nfs/dbraw/zinc/12/70/53/168127053.db2.gz IOUAFFJKVPAOLG-UHFFFAOYSA-N 0 0 199.166 0.423 50 5 in-vitro ACBARN COC(=O)c1c(N)cccc1[N+](=O)[O-] 5586657 168127379 /nfs/dbraw/zinc/12/73/79/168127379.db2.gz NFPMHGVGDWXWRJ-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 in-vitro ACBARN COC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 8699911 168127637 /nfs/dbraw/zinc/12/76/37/168127637.db2.gz ILGFGEIQCLRIBI-UHFFFAOYSA-N 0 0 198.134 0.070 50 5 in-vitro ACBARN COC(=O)c1cc(N)c([N+](=O)[O-])cn1 40448622 168128171 /nfs/dbraw/zinc/12/81/71/168128171.db2.gz UNPOGSAFUSHRDJ-UHFFFAOYSA-N 0 0 197.150 0.359 50 5 in-vitro ACBARN COC(=O)c1cc(N)ccc1[N+](=O)[O-] 91366346 168128212 /nfs/dbraw/zinc/12/82/12/168128212.db2.gz HBQRFDGMJZUGQV-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 ACBARN COC(=O)c1cc(N)cc([N+](=O)[O-])c1 248689 168128956 /nfs/dbraw/zinc/12/89/56/168128956.db2.gz HZVBRLJDOZZHFL-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 in-vitro ACBARN COC(=O)c1cc([N+](=O)[O-])cn1C 2511035 168129792 /nfs/dbraw/zinc/12/97/92/168129792.db2.gz SEOKAHOXOYKYKS-UHFFFAOYSA-N 0 0 184.151 0.720 50 5 in-vitro ACBARN COC(=O)c1cc([N+](=O)[O-])n(C)n1 72209478 168129868 /nfs/dbraw/zinc/12/98/68/168129868.db2.gz FZEMXZUQMMIYQY-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 ACBARN COC(=O)c1cc([N+](=O)[O-])c[nH]c1=O 12471476 168130018 /nfs/dbraw/zinc/13/00/18/168130018.db2.gz DLMMETCUQGSGOK-UHFFFAOYSA-N 0 0 198.134 0.070 50 5 in-vitro ACBARN COC(=O)c1cc([N+](=O)[O-])nn1C 72209473 168130067 /nfs/dbraw/zinc/13/00/67/168130067.db2.gz YOWXTKMLSGSLMK-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 ACBARN COC(=O)c1cc([N+](=O)[O-])c[nH]1 1615155 168130180 /nfs/dbraw/zinc/13/01/80/168130180.db2.gz BRZNAATZQZPGBQ-UHFFFAOYSA-N 0 0 170.124 0.710 50 5 ACBARN COC(=O)c1cc([N+](=O)[O-])n[nH]1 3908866 168130224 /nfs/dbraw/zinc/13/02/24/168130224.db2.gz OTINMTPELZSAPX-UHFFFAOYSA-N 0 0 171.112 0.105 50 5 in-vitro ACBARN COC(=O)c1cc([N+](=O)[O-])ccc1N 4272210 168130422 /nfs/dbraw/zinc/13/04/22/168130422.db2.gz VOQBLPBLKSXCDB-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 in-vitro ACBARN COC(=O)c1cc([N+](=O)[O-])cnc1N 71863911 168130462 /nfs/dbraw/zinc/13/04/62/168130462.db2.gz OUMPFIBIUJBCAH-UHFFFAOYSA-N 0 0 197.150 0.359 50 5 in-vitro ACBARN COC(=O)c1ccc([N+](=O)[O-])cc1N 54303 168131697 /nfs/dbraw/zinc/13/16/97/168131697.db2.gz VGURYVWLCVIMTF-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 in-vitro ACBARN COC(=O)c1ccc([N+](=O)[O-])c(N)n1 39084397 168131730 /nfs/dbraw/zinc/13/17/30/168131730.db2.gz KHLJLFCKRIFGCE-UHFFFAOYSA-N 0 0 197.150 0.359 50 5 in-vitro ACBARN COC(=O)c1ccc(N)c([N+](=O)[O-])c1 5209909 168131774 /nfs/dbraw/zinc/13/17/74/168131774.db2.gz HNTLUEZVPLRQEV-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 in-vitro ACBARN COC(=O)c1ccc([N+](=O)[O-])o1 105234 168132188 /nfs/dbraw/zinc/13/21/88/168132188.db2.gz UTLKCGPAJUYGOM-UHFFFAOYSA-N 0 0 171.108 0.974 50 5 in-vitro ACBARN COC(=O)c1ccc([N+](=O)[O-])cn1 15079902 168132375 /nfs/dbraw/zinc/13/23/75/168132375.db2.gz WBJDJRHSHXTRAT-UHFFFAOYSA-N 0 0 182.135 0.776 50 5 ACBARN COC(=O)c1ccc([N+](=O)[O-])c(N)c1 34759534 168132803 /nfs/dbraw/zinc/13/28/03/168132803.db2.gz ZGVYPBINPLNBDH-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 in-vitro ACBARN COC(=O)c1ccc([N+](=O)[O-])nc1 98086068 168132975 /nfs/dbraw/zinc/13/29/75/168132975.db2.gz PHIAHISRDZCZKN-UHFFFAOYSA-N 0 0 182.135 0.776 50 5 in-vitro ACBARN COC(=O)c1ccc([N+](=O)[O-])n1C 26019812 168133016 /nfs/dbraw/zinc/13/30/16/168133016.db2.gz XTRZUZWXTWKINM-UHFFFAOYSA-N 0 0 184.151 0.720 50 5 ACBARN COC(=O)c1ccc(N)cc1[N+](=O)[O-] 15108786 168133081 /nfs/dbraw/zinc/13/30/81/168133081.db2.gz CWNMNVHDDCDSPU-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 in-vitro ACBARN COC(=O)c1cccc([N+](=O)[O-])n1 39953839 168133579 /nfs/dbraw/zinc/13/35/79/168133579.db2.gz GMTRDKDANZBXPZ-UHFFFAOYSA-N 0 0 182.135 0.776 50 5 ACBARN COC(=O)c1ccnc(N)c1[N+](=O)[O-] 170619047 168133897 /nfs/dbraw/zinc/13/38/97/168133897.db2.gz UFDPDNJTFWOYLU-UHFFFAOYSA-N 0 0 197.150 0.359 50 5 ACBARN COC(=O)c1cccc([N+](=O)[O-])c1N 4240518 168134118 /nfs/dbraw/zinc/13/41/18/168134118.db2.gz HDCLJQZLTMJECA-UHFFFAOYSA-N 0 0 196.162 0.964 50 5 in-vitro ACBARN COC(=O)c1cncc([N+](=O)[O-])c1O 47202400 168135355 /nfs/dbraw/zinc/13/53/55/168135355.db2.gz KRJYDSXOTMFXQV-UHFFFAOYSA-N 0 0 198.134 0.482 50 5 in-vitro ACBARN COC(=O)c1ccncc1[N+](=O)[O-] 32303162 168135498 /nfs/dbraw/zinc/13/54/98/168135498.db2.gz VFZBLITUPLITGH-UHFFFAOYSA-N 0 0 182.135 0.776 50 5 in-vitro ACBARN COC(=O)c1cnc(N)c([N+](=O)[O-])c1 34144558 168135827 /nfs/dbraw/zinc/13/58/27/168135827.db2.gz DCFLDKSHKLPIQA-UHFFFAOYSA-N 0 0 197.150 0.359 50 5 in-vitro ACBARN COC(=O)c1cnc([N+](=O)[O-])n1C 13282292 168136382 /nfs/dbraw/zinc/13/63/82/168136382.db2.gz BQTWOZOPNUFRHG-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 in-vitro ACBARN COC(=O)c1cncc([N+](=O)[O-])c1 26897736 168136438 /nfs/dbraw/zinc/13/64/38/168136438.db2.gz QCOPSULUPWRTSS-UHFFFAOYSA-N 0 0 182.135 0.776 50 5 ACBARN COC(=O)c1nc([N+](=O)[O-])cn1C 40448602 168136930 /nfs/dbraw/zinc/13/69/30/168136930.db2.gz FZSWXFKGZZOIMM-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 ACBARN COC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 47300998 168137064 /nfs/dbraw/zinc/13/70/64/168137064.db2.gz TVGRKMJIBFUENI-UHFFFAOYSA-N 0 0 185.139 0.413 50 5 in-vitro ACBARN COC(=O)c1ncc([N+](=O)[O-])n1C 34216411 168137143 /nfs/dbraw/zinc/13/71/43/168137143.db2.gz LLEABRXWBICJNJ-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 ACBARN COC(=O)c1ncccc1[N+](=O)[O-] 32224876 168137953 /nfs/dbraw/zinc/13/79/53/168137953.db2.gz GTYLRDGENQOVTL-UHFFFAOYSA-N 0 0 182.135 0.776 50 5 ACBARN COC(=O)c1nn(C)cc1[N+](=O)[O-] 72233264 168139411 /nfs/dbraw/zinc/13/94/11/168139411.db2.gz KRIOGKNOYPHJPC-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 in-vitro ACBARN COC(=O)c1onc(C)c1[N+](=O)[O-] 95917582 168139551 /nfs/dbraw/zinc/13/95/51/168139551.db2.gz JTEPMQCAQKJDCF-UHFFFAOYSA-N 0 0 186.123 0.678 50 5 in-vitro ACBARN COC(CC[N+](=O)[O-])OC 2389961 168141596 /nfs/dbraw/zinc/14/15/96/168141596.db2.gz MOKDVDXMMSCFHC-UHFFFAOYSA-N 0 0 149.146 0.272 50 5 ACBARN COCCCn1cc([N+](=O)[O-])cn1 71978651 168157692 /nfs/dbraw/zinc/15/76/92/168157692.db2.gz PDJSBKPIYPPZBI-UHFFFAOYSA-N 0 0 185.183 0.828 50 5 in-vitro ACBARN COCCNc1ncc([N+](=O)[O-])cn1 40454310 168169114 /nfs/dbraw/zinc/16/91/14/168169114.db2.gz SQKNSRNTKFBZAE-UHFFFAOYSA-N 0 0 198.182 0.443 50 5 ACBARN COCCn1cc([N+](=O)[O-])cn1 71978634 168176442 /nfs/dbraw/zinc/17/64/42/168176442.db2.gz SGZBZPUTFUMZBQ-UHFFFAOYSA-N 0 0 171.156 0.438 50 5 in-vitro ACBARN COCc1cc([N+](=O)[O-])nn1C 72209661 168195072 /nfs/dbraw/zinc/19/50/72/168195072.db2.gz QYMIVHHHOXQWIN-UHFFFAOYSA-N 0 0 171.156 0.475 50 5 ACBARN COCn1cc([N+](=O)[O-])cn1 72334115 168198086 /nfs/dbraw/zinc/19/80/86/168198086.db2.gz UURJXYFOASPHQL-UHFFFAOYSA-N 0 0 157.129 0.395 50 5 ACBARN CONC(=O)c1ccc([N+](=O)[O-])cc1 70267204 168202475 /nfs/dbraw/zinc/20/24/75/168202475.db2.gz HIJYJXGWKHLZPA-UHFFFAOYSA-N 0 0 196.162 0.886 50 5 ACBARN COc1c[n+]([O-])ccc1[N+](=O)[O-] 34361454 168226494 /nfs/dbraw/zinc/22/64/94/168226494.db2.gz YTTSNODVMTUELN-UHFFFAOYSA-N 0 0 170.124 0.237 50 5 ACBARN COc1cc(=O)[nH]cc1[N+](=O)[O-] 15021489 168227253 /nfs/dbraw/zinc/22/72/53/168227253.db2.gz BBXOGUKAXIFZAE-UHFFFAOYSA-N 0 0 170.124 0.292 50 5 in-vitro ACBARN COc1cc(C(N)=O)cc([N+](=O)[O-])c1 4014195 168228636 /nfs/dbraw/zinc/22/86/36/168228636.db2.gz WWUGAZZJZSTOBD-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 ACBARN COc1cc(C(N)=O)ccc1[N+](=O)[O-] 34622432 168229002 /nfs/dbraw/zinc/22/90/02/168229002.db2.gz HBEDVMJPLSCWPI-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 in-vitro ACBARN COc1cc(CO)c([N+](=O)[O-])cc1O 50273180 168234246 /nfs/dbraw/zinc/23/42/46/168234246.db2.gz ILTAOBUUHMDUBI-UHFFFAOYSA-N 0 0 199.162 0.801 50 5 ACBARN COc1cc(N)c([N+](=O)[O-])cn1 71256004 168235030 /nfs/dbraw/zinc/23/50/30/168235030.db2.gz YVXWVLIBEUMASB-UHFFFAOYSA-N 0 0 169.140 0.581 50 5 in-vitro ACBARN COc1cc(N)c(O)cc1[N+](=O)[O-] 75110756 168236302 /nfs/dbraw/zinc/23/63/02/168236302.db2.gz MWTACRQOFSROOC-UHFFFAOYSA-N 0 0 184.151 0.891 50 5 ACBARN COc1cc(NN)cc([N+](=O)[O-])c1 85341709 168236845 /nfs/dbraw/zinc/23/68/45/168236845.db2.gz OGFKDMFBSIBXJA-UHFFFAOYSA-N 0 0 183.167 0.889 50 5 ACBARN COc1cc([N+](=O)[O-])c(OC)nn1 261493812 168240107 /nfs/dbraw/zinc/24/01/07/168240107.db2.gz JXVASPYYIABHMY-UHFFFAOYSA-N 0 0 185.139 0.402 50 5 ACBARN COc1cc([N+](=O)[O-])ccc1C(N)=O 45957479 168240377 /nfs/dbraw/zinc/24/03/77/168240377.db2.gz RBUYIBAYLUAHRQ-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 in-vitro ACBARN COc1cc([N+](=O)[O-])cnc1N 90527298 168240514 /nfs/dbraw/zinc/24/05/14/168240514.db2.gz MUEPJELQLAYHSH-UHFFFAOYSA-N 0 0 169.140 0.581 50 5 ACBARN COc1cc([N+](=O)[O-])ccc1NN 37291004 168241361 /nfs/dbraw/zinc/24/13/61/168241361.db2.gz BYBYUDDRIJYSPK-UHFFFAOYSA-N 0 0 183.167 0.889 50 5 in-vitro ACBARN COc1cc([N+](=O)[O-])c[nH]c1=O 38548616 168241369 /nfs/dbraw/zinc/24/13/69/168241369.db2.gz JDHPYWKDVDFUDW-UHFFFAOYSA-N 0 0 170.124 0.292 50 5 in-vitro ACBARN COc1ccc(C(N)=O)c([N+](=O)[O-])c1 4530378 168246586 /nfs/dbraw/zinc/24/65/86/168246586.db2.gz QBDIKLOJLSJNTM-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 in-vitro ACBARN COc1ccc(C(N)=O)cc1[N+](=O)[O-] 5210930 168246666 /nfs/dbraw/zinc/24/66/66/168246666.db2.gz PCQFJXUTKOUTRW-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 in-vitro ACBARN COc1ccc([N+](=O)[O-])ccc1=O 245213 168260316 /nfs/dbraw/zinc/26/03/16/168260316.db2.gz SRVBIVSFLVFSAB-UHFFFAOYSA-N 0 0 181.147 0.964 50 5 ACBARN COc1ccc([N+](=O)[O-])c(C(N)=O)c1 28278672 168260407 /nfs/dbraw/zinc/26/04/07/168260407.db2.gz DUADCWAGDHAQRI-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 in-vitro ACBARN COc1ccc([N+](=O)[O-])c(C=O)n1 95757092 168260436 /nfs/dbraw/zinc/26/04/36/168260436.db2.gz DRDDJBHQIKITNV-UHFFFAOYSA-N 0 0 182.135 0.811 50 5 in-vitro ACBARN COc1ccc([N+](=O)[O-])cn1 111369 168260446 /nfs/dbraw/zinc/26/04/46/168260446.db2.gz WUPLOZFIOAEYMG-UHFFFAOYSA-N 0 0 154.125 0.998 50 5 ACBARN COc1ccc([N+](=O)[O-])c(N)n1 19735368 168260539 /nfs/dbraw/zinc/26/05/39/168260539.db2.gz RDJILYVRVOTMTQ-UHFFFAOYSA-N 0 0 169.140 0.581 50 5 ACBARN COc1ccc([N+](=O)[O-])cc1C(N)=O 37388332 168260682 /nfs/dbraw/zinc/26/06/82/168260682.db2.gz QIPLSXGSOGMWGL-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 in-vitro ACBARN COc1ccc([N+](=O)[O-])nc1 40442712 168260840 /nfs/dbraw/zinc/26/08/40/168260840.db2.gz MWQMHHLIYVQKNM-UHFFFAOYSA-N 0 0 154.125 0.998 50 5 ACBARN COc1cccc(C(N)=O)c1[N+](=O)[O-] 1090562 168268321 /nfs/dbraw/zinc/26/83/21/168268321.db2.gz MZGJDLQJIXSZRB-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 in-vitro ACBARN COc1cccnc1[N+](=O)[O-] 2559368 168277962 /nfs/dbraw/zinc/27/79/62/168277962.db2.gz LSXHCFSGOBFNDX-UHFFFAOYSA-N 0 0 154.125 0.998 50 5 in-vitro ACBARN COc1ccnc(N)c1[N+](=O)[O-] 14982089 168280099 /nfs/dbraw/zinc/28/00/99/168280099.db2.gz PHZNRPWDIPHQNO-UHFFFAOYSA-N 0 0 169.140 0.581 50 5 in-vitro ACBARN COc1ccncc1[N+](=O)[O-] 1611435 168280285 /nfs/dbraw/zinc/28/02/85/168280285.db2.gz BZPVREXVOZITPF-UHFFFAOYSA-N 0 0 154.125 0.998 50 5 in-vitro ACBARN COc1cnccc1[N+](=O)[O-] 71250836 168281064 /nfs/dbraw/zinc/28/10/64/168281064.db2.gz HRGWQIOTXFPOBE-UHFFFAOYSA-N 0 0 154.125 0.998 50 5 ACBARN COc1n[nH]cc1[N+](=O)[O-] 5940147 168282482 /nfs/dbraw/zinc/28/24/82/168282482.db2.gz GLNYWXCDHONDOZ-UHFFFAOYSA-N 0 0 143.102 0.327 50 5 in-vitro ACBARN COc1nc(C)nc(OC)c1[N+](=O)[O-] 3199635 168282612 /nfs/dbraw/zinc/28/26/12/168282612.db2.gz YOCZCPSNNGRGHZ-UHFFFAOYSA-N 0 0 199.166 0.710 50 5 ACBARN COc1nc(C)c([N+](=O)[O-])c(OC)n1 81653 168283358 /nfs/dbraw/zinc/28/33/58/168283358.db2.gz LYLVLMFQGBVGIE-UHFFFAOYSA-N 0 0 199.166 0.710 50 5 ACBARN COc1n[nH]c2ncc([N+](=O)[O-])cc12 95803681 168283412 /nfs/dbraw/zinc/28/34/12/168283412.db2.gz QKCRVRSYXLBOET-UHFFFAOYSA-N 0 0 194.150 0.875 50 5 ACBARN COc1n[nH]c(C)c1[N+](=O)[O-] 4243743 168283602 /nfs/dbraw/zinc/28/36/02/168283602.db2.gz VYRLODCUXGZERL-UHFFFAOYSA-N 0 0 157.129 0.635 50 5 ACBARN COc1ncc([N+](=O)[O-])c(OC)n1 3078154 168285915 /nfs/dbraw/zinc/28/59/15/168285915.db2.gz VJFZTUFUNIIZOI-UHFFFAOYSA-N 0 0 185.139 0.402 50 5 in-vitro ACBARN COc1[nH]cnc1[N+](=O)[O-] 5424621 168285958 /nfs/dbraw/zinc/28/59/58/168285958.db2.gz MTLKLMBVLAVCAT-UHFFFAOYSA-N 0 0 143.102 0.327 50 5 ACBARN COc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] 7029732 168286288 /nfs/dbraw/zinc/28/62/88/168286288.db2.gz FZGXTRQTCDZDIP-UHFFFAOYSA-N 0 0 199.122 0.907 50 5 ACBARN COc1ncc([N+](=O)[O-])cn1 1607264 168286882 /nfs/dbraw/zinc/28/68/82/168286882.db2.gz ZPUHFIFABZPKHA-UHFFFAOYSA-N 0 0 155.113 0.393 50 5 in-vitro ACBARN COc1nccc(N)c1[N+](=O)[O-] 14982091 168287660 /nfs/dbraw/zinc/28/76/60/168287660.db2.gz XADFTCGTAKIZMI-UHFFFAOYSA-N 0 0 169.140 0.581 50 5 ACBARN COc1ncccc1[N+](=O)[O-] 124618 168288050 /nfs/dbraw/zinc/28/80/50/168288050.db2.gz WZNQCVOSOCGWJG-UHFFFAOYSA-N 0 0 154.125 0.998 50 5 in-vitro ACBARN COc1ncnc(OC)c1[N+](=O)[O-] 1039309 168288133 /nfs/dbraw/zinc/28/81/33/168288133.db2.gz VPNSJECDVDBDTA-UHFFFAOYSA-N 0 0 185.139 0.402 50 5 in-vitro ACBARN COc1nn(C)cc1[N+](=O)[O-] 95098479 168289611 /nfs/dbraw/zinc/28/96/11/168289611.db2.gz PQCDQLCMCVXEHN-UHFFFAOYSA-N 0 0 157.129 0.337 50 5 in-vitro ACBARN C[C@@H](CO)CC[N+](=O)[O-] 40571804 168348136 /nfs/dbraw/zinc/34/81/36/168348136.db2.gz CZUKMJNCZHVKEK-RXMQYKEDSA-N 0 0 133.147 0.282 50 5 ACBARN C[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1 35199154 168352351 /nfs/dbraw/zinc/35/23/51/168352351.db2.gz IFUIXZIUISLXKT-LURJTMIESA-N 0 0 197.194 0.783 50 5 in-vitro ACBARN C[C@@H](O)[C@@H](C)[N+](=O)[O-] 1758998 168397527 /nfs/dbraw/zinc/39/75/27/168397527.db2.gz OJVOGABFNZDOOZ-QWWZWVQMSA-N 0 0 119.120 0.032 50 5 in-vitro ACBARN C[C@@H]([C@@H](C)O)[N+](=O)[O-] 1758997 168405127 /nfs/dbraw/zinc/40/51/27/168405127.db2.gz OJVOGABFNZDOOZ-IUYQGCFVSA-N 0 0 119.120 0.032 50 5 in-vitro ACBARN Cc1[nH]nc(N)c1[N+](=O)[O-] 32107407 168704204 /nfs/dbraw/zinc/70/42/04/168704204.db2.gz ORPMTJVASAKZCT-UHFFFAOYSA-N 0 0 142.118 0.209 50 5 ACBARN Cc1c(/C=C/[N+](=O)[O-])cnn1C 8782520 168706084 /nfs/dbraw/zinc/70/60/84/168706084.db2.gz VOYRCNJZEJVNNR-ONEGZZNKSA-N 0 0 167.168 0.976 50 5 ACBARN Cc1c(C(N)=O)cc(N)cc1[N+](=O)[O-] 5159668 168708002 /nfs/dbraw/zinc/70/80/02/168708002.db2.gz OGXBENHORDOZLD-UHFFFAOYSA-N 0 0 195.178 0.584 50 5 in-vitro ACBARN Cc1c[nH]nc1[N+](=O)[O-] 9356400 168722188 /nfs/dbraw/zinc/72/21/88/168722188.db2.gz AGGNMPUDFUROJT-UHFFFAOYSA-N 0 0 127.103 0.626 50 5 in-vitro ACBARN Cc1cc([N+](=O)[O-])n(C)n1 12398524 168784530 /nfs/dbraw/zinc/78/45/30/168784530.db2.gz OJETWFRFVGLXPW-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 ACBARN Cc1cc([N+](=O)[O-])n[nH]1 100006832 168784986 /nfs/dbraw/zinc/78/49/86/168784986.db2.gz ASURMMBYYOJOTQ-UHFFFAOYSA-N 0 0 127.103 0.626 50 5 ACBARN Cc1cc([N+](=O)[O-])nn1C 2538864 168785071 /nfs/dbraw/zinc/78/50/71/168785071.db2.gz KTPNKIOQKXHCMA-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 ACBARN Cc1cc([N+](=O)[O-])cc(C)[n+]1[O-] 1680682 168785073 /nfs/dbraw/zinc/78/50/73/168785073.db2.gz LFPUGENPUAERSG-UHFFFAOYSA-N 0 0 168.152 0.845 50 5 in-vitro ACBARN Cc1ccc([N+](=O)[O-])c2no[n+]([O-])c12 4141281 168845119 /nfs/dbraw/zinc/84/51/19/168845119.db2.gz GYSYGOWOTQKBTH-UHFFFAOYSA-N 0 0 195.134 0.678 50 5 ACBARN Cc1ccc([N+](=O)[O-])c(N)n1 19798352 168845209 /nfs/dbraw/zinc/84/52/09/168845209.db2.gz LCJXSRQGDONHRK-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN Cc1nc([N+](=O)[O-])c([N+](=O)[O-])n1C 5425103 168952608 /nfs/dbraw/zinc/95/26/08/168952608.db2.gz AQLUEEMSUSDYEU-UHFFFAOYSA-N 0 0 186.127 0.545 50 5 ACBARN Cc1nc([N+](=O)[O-])cn1C 157733 168952716 /nfs/dbraw/zinc/95/27/16/168952716.db2.gz YJJBSMOKINSQQF-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 in-vitro ACBARN Cc1nc([N+](=O)[O-])c(N)n1C 5425096 168952769 /nfs/dbraw/zinc/95/27/69/168952769.db2.gz OZTQSPSXMMGTPY-UHFFFAOYSA-N 0 0 156.145 0.219 50 5 ACBARN Cc1nc([N+](=O)[O-])cn1CCO 343409 168953500 /nfs/dbraw/zinc/95/35/00/168953500.db2.gz RSXWJXPKLRYMHW-UHFFFAOYSA-N 0 0 171.156 0.092 50 5 ACBARN Cc1nc2ccc([N+](=O)[O-])cn2n1 32220843 168958078 /nfs/dbraw/zinc/95/80/78/168958078.db2.gz HWAKRQWQSUIFGQ-UHFFFAOYSA-N 0 0 178.151 0.946 50 5 ACBARN Cc1ncc([N+](=O)[O-])n1CCCO 1846040 168967223 /nfs/dbraw/zinc/96/72/23/168967223.db2.gz DUOHVNSMLSPTMI-UHFFFAOYSA-N 0 0 185.183 0.482 50 5 in-man ACBARN Cc1ncc([N+](=O)[O-])n1CCO 113442 168967854 /nfs/dbraw/zinc/96/78/54/168967854.db2.gz VAOCPAMSLUNLGC-UHFFFAOYSA-N 0 0 171.156 0.092 50 5 fda ACBARN Cc1nn(C)cc1[N+](=O)[O-] 85312 168985741 /nfs/dbraw/zinc/98/57/41/168985741.db2.gz AKFKERAVXIGUNB-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 in-vitro ACBARN Cc1[nH]n2ccnc2c1[N+](=O)[O-] 18210550 168988484 /nfs/dbraw/zinc/98/84/84/168988484.db2.gz BBOFGJAOIPZFKJ-UHFFFAOYSA-N 0 0 166.140 0.879 50 5 ACBARN Cc1noc(N)c1[N+](=O)[O-] 4284533 169001596 /nfs/dbraw/zinc/00/15/96/169001596.db2.gz NRYUCAPNMJIWFE-UHFFFAOYSA-N 0 0 143.102 0.473 50 5 ACBARN Cc1nonc1[N+](=O)[O-] 1295932 169005233 /nfs/dbraw/zinc/00/52/33/169005233.db2.gz QSRKLFPDTLSZOE-UHFFFAOYSA-N 0 0 129.075 0.286 50 5 ACBARN Cc1nsc(N)c1[N+](=O)[O-] 39135436 169005687 /nfs/dbraw/zinc/00/56/87/169005687.db2.gz PYRFGRMRABTCCV-UHFFFAOYSA-N 0 0 159.170 0.942 50 5 ACBARN Cn1c(=O)[nH]c2nc([N+](=O)[O-])ccc21 3121771 169029286 /nfs/dbraw/zinc/02/92/86/169029286.db2.gz JOFZBSQZMIUNAJ-UHFFFAOYSA-N 0 0 194.150 0.170 50 5 ACBARN Cn1c(=O)[nH]c2cncc([N+](=O)[O-])c21 6397159 169029439 /nfs/dbraw/zinc/02/94/39/169029439.db2.gz BJAQNYUXHKDJKW-UHFFFAOYSA-N 0 0 194.150 0.170 50 5 ACBARN Cn1c(=O)[nH]c2cc([N+](=O)[O-])ccc21 32232545 169029894 /nfs/dbraw/zinc/02/98/94/169029894.db2.gz PXNJJNDWAPIHSS-UHFFFAOYSA-N 0 0 193.162 0.775 50 5 ACBARN Cn1c(=O)[nH]c2ccc([N+](=O)[O-])nc21 8691946 169030020 /nfs/dbraw/zinc/03/00/20/169030020.db2.gz SXCLYSKUFJOARX-UHFFFAOYSA-N 0 0 194.150 0.170 50 5 ACBARN Cn1c(C=O)cnc1[N+](=O)[O-] 13282294 169030549 /nfs/dbraw/zinc/03/05/49/169030549.db2.gz PTLILCRCEWAQGA-UHFFFAOYSA-N 0 0 155.113 0.141 50 5 ACBARN Cn1c([N+](=O)[O-])cnc1C=O 13207487 169034405 /nfs/dbraw/zinc/03/44/05/169034405.db2.gz JLQLFVSTEDRFAD-UHFFFAOYSA-N 0 0 155.113 0.141 50 5 ACBARN Cn1c([N+](=O)[O-])cnc1C(C)(C)O 25724189 169034690 /nfs/dbraw/zinc/03/46/90/169034690.db2.gz DTHPMNDYKOSVFR-UHFFFAOYSA-N 0 0 185.183 0.556 50 5 in-vitro ACBARN Cn1c([N+](=O)[O-])cnc1Cl 2021296 169035473 /nfs/dbraw/zinc/03/54/73/169035473.db2.gz IYVKWWTVJQDECA-UHFFFAOYSA-N 0 0 161.548 0.982 50 5 ACBARN Cn1cc(-c2n[nH]cc2[N+](=O)[O-])cn1 12396164 169036506 /nfs/dbraw/zinc/03/65/06/169036506.db2.gz ZYXSEGPLUYIZOR-UHFFFAOYSA-N 0 0 193.166 0.718 50 5 ACBARN Cn1cc(C=O)c([N+](=O)[O-])n1 39062839 169038947 /nfs/dbraw/zinc/03/89/47/169038947.db2.gz VFXVYWIXNOIWPK-UHFFFAOYSA-N 0 0 155.113 0.141 50 5 in-vitro ACBARN Cn1cc(F)cc([N+](=O)[O-])c1=O 98086057 169039721 /nfs/dbraw/zinc/03/97/21/169039721.db2.gz WTGWOLKLHVCEOJ-UHFFFAOYSA-N 0 0 172.115 0.433 50 5 ACBARN Cn1cc(Cl)cc([N+](=O)[O-])c1=O 85385125 169040397 /nfs/dbraw/zinc/04/03/97/169040397.db2.gz REFCXSMHSAHMQJ-UHFFFAOYSA-N 0 0 188.570 0.947 50 5 ACBARN Cn1cc([N+](=O)[O-])cc1C(N)=O 10021357 169042880 /nfs/dbraw/zinc/04/28/80/169042880.db2.gz FMCZMALQWCUZCZ-UHFFFAOYSA-N 0 0 169.140 0.032 50 5 ACBARN Cn1cc([N+](=O)[O-])nc1Cl 1579578 169042949 /nfs/dbraw/zinc/04/29/49/169042949.db2.gz FBVLYAYUSWWENM-UHFFFAOYSA-N 0 0 161.548 0.982 50 5 ACBARN Cn1cc([N+](=O)[O-])ccc1=O 333415 169043066 /nfs/dbraw/zinc/04/30/66/169043066.db2.gz FZYSOPYUSSFGAO-UHFFFAOYSA-N 0 0 154.125 0.294 50 5 in-vitro ACBARN Cn1cc([N+](=O)[O-])cn1 2038197 169043150 /nfs/dbraw/zinc/04/31/50/169043150.db2.gz CZVJIVYLYOVBRP-UHFFFAOYSA-N 0 0 127.103 0.328 50 5 in-vitro ACBARN Cn1cc([N+](=O)[O-])c(Cl)n1 117934957 169043157 /nfs/dbraw/zinc/04/31/57/169043157.db2.gz UEDIAFCRVLLBSS-UHFFFAOYSA-N 0 0 161.548 0.982 50 5 ACBARN Cn1cc2cc([N+](=O)[O-])cnc2n1 95836830 169043328 /nfs/dbraw/zinc/04/33/28/169043328.db2.gz YRLGRBFIJYZBRV-UHFFFAOYSA-N 0 0 178.151 0.877 50 5 ACBARN Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-] 3832436 169043631 /nfs/dbraw/zinc/04/36/31/169043631.db2.gz GHLBJBRVTJECDP-UHFFFAOYSA-N 0 0 172.100 0.237 50 5 ACBARN Cn1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O 3163064 169043673 /nfs/dbraw/zinc/04/36/73/169043673.db2.gz QARVELJVEBLWGK-UHFFFAOYSA-N 0 0 199.122 0.202 50 5 in-vitro ACBARN Cn1cc([N+](=O)[O-])c([N+](=O)[O-])n1 4291290 169043959 /nfs/dbraw/zinc/04/39/59/169043959.db2.gz VDTOUIPOAUVOLP-UHFFFAOYSA-N 0 0 172.100 0.237 50 5 ACBARN Cn1ccc([N+](=O)[O-])c1 4753651 169046395 /nfs/dbraw/zinc/04/63/95/169046395.db2.gz HAFXVSYMJSHNQG-UHFFFAOYSA-N 0 0 126.115 0.933 50 5 ACBARN Cn1ccc([N+](=O)[O-])n1 4293945 169047135 /nfs/dbraw/zinc/04/71/35/169047135.db2.gz KLAQNTBUXCCZHC-UHFFFAOYSA-N 0 0 127.103 0.328 50 5 in-vitro ACBARN Cn1cccc([N+](=O)[O-])c1=O 331879 169048609 /nfs/dbraw/zinc/04/86/09/169048609.db2.gz BDQAZNBCEXTXIW-UHFFFAOYSA-N 0 0 154.125 0.294 50 5 in-vitro ACBARN Cn1cccc1[N+](=O)[O-] 1573937 169049585 /nfs/dbraw/zinc/04/95/85/169049585.db2.gz ZNTAXEMTUMCOTJ-UHFFFAOYSA-N 0 0 126.115 0.933 50 5 ACBARN Cn1ccnc1[N+](=O)[O-] 13207526 169054157 /nfs/dbraw/zinc/05/41/57/169054157.db2.gz HBMINVNVQUDERA-UHFFFAOYSA-N 0 0 127.103 0.328 50 5 in-vitro ACBARN Cn1cnc([N+](=O)[O-])c1 1063081 169056204 /nfs/dbraw/zinc/05/62/04/169056204.db2.gz HSCOLDQJZRZQMV-UHFFFAOYSA-N 0 0 127.103 0.328 50 5 world ACBARN Cn1cnc([N+](=O)[O-])c1Cl 1081474 169056573 /nfs/dbraw/zinc/05/65/73/169056573.db2.gz OSJUNMSWBBOTQU-UHFFFAOYSA-N 0 0 161.548 0.982 50 5 in-vitro ACBARN Cn1cnc(Cl)c1[N+](=O)[O-] 1299831 169056805 /nfs/dbraw/zinc/05/68/05/169056805.db2.gz BYQOKNIMGIDSHN-UHFFFAOYSA-N 0 0 161.548 0.982 50 5 in-vitro ACBARN Cn1cncc1[N+](=O)[O-] 8294935 169058064 /nfs/dbraw/zinc/05/80/64/169058064.db2.gz JLZXSFPSJJMRIX-UHFFFAOYSA-N 0 0 127.103 0.328 50 5 in-vitro ACBARN Cn1nc([N+](=O)[O-])cc1C=O 72209492 169063701 /nfs/dbraw/zinc/06/37/01/169063701.db2.gz YFVJYQKUBWBHDV-UHFFFAOYSA-N 0 0 155.113 0.141 50 5 ACBARN Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] 4015897 169063959 /nfs/dbraw/zinc/06/39/59/169063959.db2.gz UWSPNIADTGDCIW-UHFFFAOYSA-N 0 0 172.100 0.237 50 5 ACBARN Cn1ncc(Cl)c1[N+](=O)[O-] 39311137 169065544 /nfs/dbraw/zinc/06/55/44/169065544.db2.gz JBOUKVDJCHFJMD-UHFFFAOYSA-N 0 0 161.548 0.982 50 5 in-vitro ACBARN Cn1ncc([N+](=O)[O-])c1Cl 72319629 169065784 /nfs/dbraw/zinc/06/57/84/169065784.db2.gz POXLZEWCWNUVDW-UHFFFAOYSA-N 0 0 161.548 0.982 50 5 in-vitro ACBARN Cn1ncc([N+](=O)[O-])c1C=O 75844300 169065795 /nfs/dbraw/zinc/06/57/95/169065795.db2.gz IZIYKUMGMYONAT-UHFFFAOYSA-N 0 0 155.113 0.141 50 5 ACBARN Cn1nccc1[N+](=O)[O-] 6072268 169067605 /nfs/dbraw/zinc/06/76/05/169067605.db2.gz COVPJOWITGLAKX-UHFFFAOYSA-N 0 0 127.103 0.328 50 5 ACBARN Cn1nnc2cc([N+](=O)[O-])ccc21 1579844 169069851 /nfs/dbraw/zinc/06/98/51/169069851.db2.gz BQPFSSQRLBUMQC-UHFFFAOYSA-N 0 0 178.151 0.877 50 5 ACBARN Cn1nnc2cccc([N+](=O)[O-])c21 3163041 169070092 /nfs/dbraw/zinc/07/00/92/169070092.db2.gz XCAKJJBLSHSJNZ-UHFFFAOYSA-N 0 0 178.151 0.877 50 5 ACBARN N#CNc1ccc([N+](=O)[O-])cn1 64037955 169106943 /nfs/dbraw/zinc/10/69/43/169106943.db2.gz CTFMVWRJNIZZEZ-UHFFFAOYSA-N 0 0 164.124 0.883 50 5 ACBARN N#CNc1ncccc1[N+](=O)[O-] 64037952 169106952 /nfs/dbraw/zinc/10/69/52/169106952.db2.gz HGSWSQWGJKCDSW-UHFFFAOYSA-N 0 0 164.124 0.883 50 5 ACBARN NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 2031338 169145865 /nfs/dbraw/zinc/14/58/65/169145865.db2.gz IZFMIIGMIPRYKL-HNQUOIGGSA-N 0 0 182.135 0.686 50 5 in-vitro ACBARN NC(=O)COc1ccc([N+](=O)[O-])cc1 31295 169152521 /nfs/dbraw/zinc/15/25/21/169152521.db2.gz IYJAUHBAFQALLE-UHFFFAOYSA-N 0 0 196.162 0.459 50 5 in-vitro ACBARN NC(=O)COc1ccccc1[N+](=O)[O-] 9953679 169152540 /nfs/dbraw/zinc/15/25/40/169152540.db2.gz DVCVYHFEWYAJCP-UHFFFAOYSA-N 0 0 196.162 0.459 50 5 ACBARN NC(=O)Cc1cc([N+](=O)[O-])ccc1F 383848 169154906 /nfs/dbraw/zinc/15/49/06/169154906.db2.gz VXTVSBFUDDMJKS-UHFFFAOYSA-N 0 0 198.153 0.762 50 5 ACBARN NC(=O)Cc1ccccc1[N+](=O)[O-] 337533 169155307 /nfs/dbraw/zinc/15/53/07/169155307.db2.gz MLJSAZNRAKTZKO-UHFFFAOYSA-N 0 0 180.163 0.623 50 5 in-vitro ACBARN NC(=O)NCc1ccc([N+](=O)[O-])cc1 34406648 169158601 /nfs/dbraw/zinc/15/86/01/169158601.db2.gz JTVLKCKOMVXJQH-UHFFFAOYSA-N 0 0 195.178 0.763 50 5 in-vitro ACBARN NC(=O)c1c(N)cccc1[N+](=O)[O-] 82046663 169164431 /nfs/dbraw/zinc/16/44/31/169164431.db2.gz VSBVFLVLPDTKPJ-UHFFFAOYSA-N 0 0 181.151 0.276 50 5 ACBARN NC(=O)c1ccc(F)cc1[N+](=O)[O-] 6925794 169164919 /nfs/dbraw/zinc/16/49/19/169164919.db2.gz VSWSFFDDRSVJSR-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 in-vitro ACBARN NC(=O)c1ccc([N+](=O)[O-])o1 1042801 169165161 /nfs/dbraw/zinc/16/51/61/169165161.db2.gz JMXRGHVWQMFKQW-UHFFFAOYSA-N 0 0 156.097 0.287 50 5 ACBARN NC(=O)c1ccc([N+](=O)[O-])c(N)c1 38490552 169165173 /nfs/dbraw/zinc/16/51/73/169165173.db2.gz VIPAFEMXGAOTSV-UHFFFAOYSA-N 0 0 181.151 0.276 50 5 ACBARN NC(=S)c1cc([N+](=O)[O-])ccc1N 26891703 169166009 /nfs/dbraw/zinc/16/60/09/169166009.db2.gz FHYFXVGYNCGBAT-UHFFFAOYSA-N 0 0 197.219 0.811 50 5 ACBARN NCC(=O)c1cccc([N+](=O)[O-])c1 34924551 169177122 /nfs/dbraw/zinc/17/71/22/169177122.db2.gz NXCCDPOCDBAGFX-UHFFFAOYSA-N 0 0 180.163 0.736 50 5 ACBARN NCC(=O)c1ccc([N+](=O)[O-])cc1 34758481 169177138 /nfs/dbraw/zinc/17/71/38/169177138.db2.gz QGMHMZOHCYYHBA-UHFFFAOYSA-N 0 0 180.163 0.736 50 5 in-vitro ACBARN [NH3+]CCc1ccc([O-])c([N+](=O)[O-])c1 2561249 169197603 /nfs/dbraw/zinc/19/76/03/169197603.db2.gz IUCYCHQMRZWPGT-UHFFFAOYSA-N 0 0 182.179 0.802 50 5 in-vitro ACBARN [NH3+]Cc1ccc([O-])c([N+](=O)[O-])c1 44249187 169223778 /nfs/dbraw/zinc/22/37/78/169223778.db2.gz KIJGPVLYVMYULD-UHFFFAOYSA-N 0 0 168.152 0.759 50 5 ACBARN NNC(=C[N+](=O)[O-])Nc1ccccc1 1395545 169232905 /nfs/dbraw/zinc/23/29/05/169232905.db2.gz JQUNGESKERUBCQ-VURMDHGXSA-N 0 0 194.194 0.637 50 5 ACBARN NNCc1ccccc1[N+](=O)[O-] 19395049 169236477 /nfs/dbraw/zinc/23/64/77/169236477.db2.gz FSPHMABFSTZECX-UHFFFAOYSA-N 0 0 167.168 0.558 50 5 in-vitro ACBARN NNCc1ccc([N+](=O)[O-])cc1 19270244 169236557 /nfs/dbraw/zinc/23/65/57/169236557.db2.gz XUPNPQDJSZKHLN-UHFFFAOYSA-N 0 0 167.168 0.558 50 5 in-vitro ACBARN NNc1cc([N+](=O)[O-])ccn1 43567544 169237425 /nfs/dbraw/zinc/23/74/25/169237425.db2.gz QUHVJMLPHHAJHK-UHFFFAOYSA-N 0 0 154.129 0.275 50 5 ACBARN NNc1cc2c(cc1[N+](=O)[O-])OCO2 32500107 169238025 /nfs/dbraw/zinc/23/80/25/169238025.db2.gz QEBPQOLOKZLPQR-UHFFFAOYSA-N 0 0 197.150 0.609 50 5 ACBARN NN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 8730166 169238246 /nfs/dbraw/zinc/23/82/46/169238246.db2.gz CXSMPTOEEIBHEG-UHFFFAOYSA-N 0 0 193.166 0.757 50 5 in-vitro ACBARN NNc1cccc([N+](=O)[O-])c1 88602 169238270 /nfs/dbraw/zinc/23/82/70/169238270.db2.gz JFILLLZWNHOVHV-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 ACBARN NNc1ccc([N+](=O)[O-])cn1 12480789 169238689 /nfs/dbraw/zinc/23/86/89/169238689.db2.gz DDWAPSXNXHYQLK-UHFFFAOYSA-N 0 0 154.129 0.275 50 5 in-vitro ACBARN NNc1ccncc1[N+](=O)[O-] 4653460 169238725 /nfs/dbraw/zinc/23/87/25/169238725.db2.gz HWMWVURSDQRNDO-UHFFFAOYSA-N 0 0 154.129 0.275 50 5 in-vitro ACBARN NNc1ccc([N+](=O)[O-])cc1 3860923 169238743 /nfs/dbraw/zinc/23/87/43/169238743.db2.gz KMVPXBDOWDXXEN-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3860431 169238922 /nfs/dbraw/zinc/23/89/22/169238922.db2.gz HORQAOAYAYGIBM-UHFFFAOYSA-N 0 0 198.138 0.789 50 5 in-vitro ACBARN NNc1ccc([N+](=O)[O-])c2nonc12 4521565 169239056 /nfs/dbraw/zinc/23/90/56/169239056.db2.gz DMZATVKONWVLBE-UHFFFAOYSA-N 0 0 195.138 0.417 50 5 in-vitro ACBARN NNc1cccnc1[N+](=O)[O-] 39123508 169239164 /nfs/dbraw/zinc/23/91/64/169239164.db2.gz YNLZQSXUZWRKPF-UHFFFAOYSA-N 0 0 154.129 0.275 50 5 ACBARN NNc1ccccc1[N+](=O)[O-] 3860653 169239198 /nfs/dbraw/zinc/23/91/98/169239198.db2.gz FRBUNLLUASHNDJ-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN NOCc1ccc([N+](=O)[O-])cc1 169990 169239780 /nfs/dbraw/zinc/23/97/80/169239780.db2.gz OJYSJFUYARGLPG-UHFFFAOYSA-N 0 0 168.152 0.985 50 5 in-vitro ACBARN NN=c1[nH]cccc1[N+](=O)[O-] 4945865 169239949 /nfs/dbraw/zinc/23/99/49/169239949.db2.gz QPDGBZPNEZMTOU-UHFFFAOYSA-N 0 0 154.129 0.275 50 5 in-vitro ACBARN NOCc1ccccc1[N+](=O)[O-] 167857 169240142 /nfs/dbraw/zinc/24/01/42/169240142.db2.gz NNAKUCHOAIBOTH-UHFFFAOYSA-N 0 0 168.152 0.985 50 5 ACBARN NOc1ccc([N+](=O)[O-])cc1 20159946 169240969 /nfs/dbraw/zinc/24/09/69/169240969.db2.gz OOHKBWPOLBTKMR-UHFFFAOYSA-N 0 0 154.125 0.847 50 5 in-vitro ACBARN NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1729737 169241059 /nfs/dbraw/zinc/24/10/59/169241059.db2.gz YLACRFYIUQZNIV-UHFFFAOYSA-N 0 0 199.122 0.756 50 5 in-vitro ACBARN [NH3+][C@@H](C(=O)[O-])c1cccc([N+](=O)[O-])c1 4204144 169241473 /nfs/dbraw/zinc/24/14/73/169241473.db2.gz RJMYTHGQVJWWJO-SSDOTTSWSA-N 0 0 196.162 0.679 50 5 ACBARN [NH3+][C@@H](C(=O)[O-])c1ccccc1[N+](=O)[O-] 26894896 169242138 /nfs/dbraw/zinc/24/21/38/169242138.db2.gz CEBXNGWSHWJBHX-SSDOTTSWSA-N 0 0 196.162 0.679 50 5 in-vitro ACBARN [NH3+][C@H](C(=O)[O-])c1cccc([N+](=O)[O-])c1 4202371 169262225 /nfs/dbraw/zinc/26/22/25/169262225.db2.gz RJMYTHGQVJWWJO-ZETCQYMHSA-N 0 0 196.162 0.679 50 5 ACBARN [NH3+][C@H](C(=O)[O-])c1ccccc1[N+](=O)[O-] 26894899 169263760 /nfs/dbraw/zinc/26/37/60/169263760.db2.gz CEBXNGWSHWJBHX-ZETCQYMHSA-N 0 0 196.162 0.679 50 5 in-vitro ACBARN Nc1c([N+](=O)[O-])cncc1[N+](=O)[O-] 19926305 169282340 /nfs/dbraw/zinc/28/23/40/169282340.db2.gz IEUQRKITTGSLJL-UHFFFAOYSA-N 0 0 184.111 0.480 50 5 in-vitro ACBARN Nc1c([N+](=O)[O-])ccc2nonc12 4143698 169282352 /nfs/dbraw/zinc/28/23/52/169282352.db2.gz PCUQFNPRWPTYMP-UHFFFAOYSA-N 0 0 180.123 0.713 50 5 ACBARN Nc1c(O)cccc1[N+](=O)[O-] 4272219 169283001 /nfs/dbraw/zinc/28/30/01/169283001.db2.gz KUCWUAFNGCMZDB-UHFFFAOYSA-N 0 0 154.125 0.883 50 5 in-vitro ACBARN Nc1cc(CO)cc([N+](=O)[O-])c1 34579637 169284994 /nfs/dbraw/zinc/28/49/94/169284994.db2.gz QOQKOVFSUNXURX-UHFFFAOYSA-N 0 0 168.152 0.669 50 5 in-vitro ACBARN Nc1cc(CO)ccc1[N+](=O)[O-] 39133563 169285308 /nfs/dbraw/zinc/28/53/08/169285308.db2.gz RJWFCFBJYSMGLQ-UHFFFAOYSA-N 0 0 168.152 0.669 50 5 ACBARN Nc1cc(F)c([N+](=O)[O-])cc1N 4276879 169286319 /nfs/dbraw/zinc/28/63/19/169286319.db2.gz QZNALIMEKAACKP-UHFFFAOYSA-N 0 0 171.131 0.898 50 5 in-vitro ACBARN Nc1cc(F)cc(CO)c1[N+](=O)[O-] 95218240 169286536 /nfs/dbraw/zinc/28/65/36/169286536.db2.gz CSJRMADSZYPKJO-UHFFFAOYSA-N 0 0 186.142 0.808 50 5 ACBARN Nc1cc(F)nc(F)c1[N+](=O)[O-] 39199504 169287038 /nfs/dbraw/zinc/28/70/38/169287038.db2.gz KMDWOPYIFWBPRD-UHFFFAOYSA-N 0 0 175.094 0.850 50 5 ACBARN Nc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-] 3844905 169287121 /nfs/dbraw/zinc/28/71/21/169287121.db2.gz DFBUFGZWPXQRJV-UHFFFAOYSA-N 0 0 198.138 0.667 50 5 ACBARN Nc1cc(NCCO)ccc1[N+](=O)[O-] 4180814 169287340 /nfs/dbraw/zinc/28/73/40/169287340.db2.gz BQMGIXCIUJBQPL-UHFFFAOYSA-N 0 0 197.194 0.581 50 5 ACBARN Nc1cc(N)c2nonc2c1[N+](=O)[O-] 4812609 169287383 /nfs/dbraw/zinc/28/73/83/169287383.db2.gz JIQVINMDPUPVJP-UHFFFAOYSA-N 0 0 195.138 0.295 50 5 ACBARN Nc1cc(O)cc([N+](=O)[O-])c1 5936357 169287385 /nfs/dbraw/zinc/28/73/85/169287385.db2.gz VYBFQVODGUQVGO-UHFFFAOYSA-N 0 0 154.125 0.883 50 5 in-vitro ACBARN Nc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1 4880184 169287820 /nfs/dbraw/zinc/28/78/20/169287820.db2.gz ZABRHWKDGNVNLW-UHFFFAOYSA-N 0 0 198.138 0.667 50 5 ACBARN Nc1cc(N)cc([N+](=O)[O-])c1 1555407 169287859 /nfs/dbraw/zinc/28/78/59/169287859.db2.gz DFWXYHZQNLIBLY-UHFFFAOYSA-N 0 0 153.141 0.759 50 5 in-vitro ACBARN Nc1cc(N)c([N+](=O)[O-])cn1 39135222 169288196 /nfs/dbraw/zinc/28/81/96/169288196.db2.gz SXBHXFMYNOLWEC-UHFFFAOYSA-N 0 0 154.129 0.154 50 5 ACBARN Nc1cc([N+](=O)[O-])ccn1 19851305 169288394 /nfs/dbraw/zinc/28/83/94/169288394.db2.gz DBDHHHBAZZYVJG-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1cc2c(cc1[N+](=O)[O-])OCCO2 3864714 169288539 /nfs/dbraw/zinc/28/85/39/169288539.db2.gz FPLCYUDKBMTETP-UHFFFAOYSA-N 0 0 196.162 0.948 50 5 in-vitro ACBARN Nc1cc([N+](=O)[O-])ccc1O 35051195 169288625 /nfs/dbraw/zinc/28/86/25/169288625.db2.gz VLZVIIYRNMWPSN-UHFFFAOYSA-N 0 0 154.125 0.883 50 5 in-vitro ACBARN Nc1cc2c(cc1[N+](=O)[O-])OCO2 3888819 169288648 /nfs/dbraw/zinc/28/86/48/169288648.db2.gz TXZJXBGDLONQGP-UHFFFAOYSA-N 0 0 182.135 0.906 50 5 in-vitro ACBARN Nc1cc([N+](=O)[O-])ccc1NCCO 4520949 169288806 /nfs/dbraw/zinc/28/88/06/169288806.db2.gz OWMQBFHMJVSJSA-UHFFFAOYSA-N 0 0 197.194 0.581 50 5 in-vitro ACBARN Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N 5011193 169288862 /nfs/dbraw/zinc/28/88/62/169288862.db2.gz PCSIZKSNIWJKSK-UHFFFAOYSA-N 0 0 198.138 0.667 50 5 ACBARN Nc1cc([N+](=O)[O-])c(O)cc1O 21300682 169288992 /nfs/dbraw/zinc/28/89/92/169288992.db2.gz SENSPHQXKYKAHQ-UHFFFAOYSA-N 0 0 170.124 0.588 50 5 ACBARN Nc1cc([N+](=O)[O-])ccc1C=O 34175803 169289118 /nfs/dbraw/zinc/28/91/18/169289118.db2.gz DKVANZONLCMNBC-UHFFFAOYSA-N 0 0 166.136 0.990 50 5 ACBARN Nc1cc([N+](=O)[O-])cnc1N 33595183 169289268 /nfs/dbraw/zinc/28/92/68/169289268.db2.gz JOQJNCSAEMIZOU-UHFFFAOYSA-N 0 0 154.129 0.154 50 5 in-vitro ACBARN Nc1cc([N+](=O)[O-])ccc1CO 1853760 169289345 /nfs/dbraw/zinc/28/93/45/169289345.db2.gz NFOINKSCQYECSI-UHFFFAOYSA-N 0 0 168.152 0.669 50 5 in-vitro ACBARN Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] 5335134 169289510 /nfs/dbraw/zinc/28/95/10/169289510.db2.gz NGCFRZBRHUXBCV-UHFFFAOYSA-N 0 0 194.150 0.347 50 5 ACBARN Nc1ccc(C=O)cc1[N+](=O)[O-] 76914557 169291221 /nfs/dbraw/zinc/29/12/21/169291221.db2.gz IIOCECYTBZBBAL-UHFFFAOYSA-N 0 0 166.136 0.990 50 5 in-vitro ACBARN Nc1ccc(CO)c([N+](=O)[O-])c1 2015358 169291643 /nfs/dbraw/zinc/29/16/43/169291643.db2.gz LYFKDORDJDVFOZ-UHFFFAOYSA-N 0 0 168.152 0.669 50 5 ACBARN Nc1ccc(O)c([N+](=O)[O-])c1 25723529 169292420 /nfs/dbraw/zinc/29/24/20/169292420.db2.gz WHODQVWERNSQEO-UHFFFAOYSA-N 0 0 154.125 0.883 50 5 in-vitro ACBARN Nc1ccc(NCCO)cc1[N+](=O)[O-] 22116252 169292529 /nfs/dbraw/zinc/29/25/29/169292529.db2.gz DAGCJJZWDAVKRE-UHFFFAOYSA-N 0 0 197.194 0.581 50 5 ACBARN Nc1ccc(OCCO)cc1[N+](=O)[O-] 4280472 169292874 /nfs/dbraw/zinc/29/28/74/169292874.db2.gz UTHUZYBSSBFPES-UHFFFAOYSA-N 0 0 198.178 0.548 50 5 in-vitro ACBARN Nc1ccc(NCCO)c([N+](=O)[O-])c1 6423774 169293157 /nfs/dbraw/zinc/29/31/57/169293157.db2.gz GZGZVOLBULPDFD-UHFFFAOYSA-N 0 0 197.194 0.581 50 5 in-vitro ACBARN Nc1ccc(O)cc1[N+](=O)[O-] 4262549 169293345 /nfs/dbraw/zinc/29/33/45/169293345.db2.gz IQXUIDYRTHQTET-UHFFFAOYSA-N 0 0 154.125 0.883 50 5 in-vitro ACBARN Nc1ccc([N+](=O)[O-])cc1N 3860878 169293722 /nfs/dbraw/zinc/29/37/22/169293722.db2.gz RAUWPNXIALNKQM-UHFFFAOYSA-N 0 0 153.141 0.759 50 5 in-vitro ACBARN Nc1ccc([N+](=O)[O-])nc1 14982121 169293815 /nfs/dbraw/zinc/29/38/15/169293815.db2.gz PLQFCJIRQJGPHR-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1ccc([N+](=O)[O-])c2nonc12 3956680 169293861 /nfs/dbraw/zinc/29/38/61/169293861.db2.gz YXKOGLINWAPXPE-UHFFFAOYSA-N 0 0 180.123 0.713 50 5 ACBARN Nc1ccc([N+](=O)[O-])cc1C=O 4830929 169293897 /nfs/dbraw/zinc/29/38/97/169293897.db2.gz BXXBQHFYNFGHNG-UHFFFAOYSA-N 0 0 166.136 0.990 50 5 ACBARN Nc1ccc([N+](=O)[O-])c(N)n1 22198856 169293904 /nfs/dbraw/zinc/29/39/04/169293904.db2.gz TZEVSKPZTQIPLS-UHFFFAOYSA-N 0 0 154.129 0.154 50 5 ACBARN Nc1ccc([N+](=O)[O-])c(N)c1 4044869 169293993 /nfs/dbraw/zinc/29/39/93/169293993.db2.gz DPIZKMGPXNXSGL-UHFFFAOYSA-N 0 0 153.141 0.759 50 5 in-vitro ACBARN Nc1ccc([N+](=O)[O-])cc1O 4253742 169294084 /nfs/dbraw/zinc/29/40/84/169294084.db2.gz DOPJTDJKZNWLRB-UHFFFAOYSA-N 0 0 154.125 0.883 50 5 in-vitro ACBARN Nc1ccc([N+](=O)[O-])cc1CO 33606697 169294130 /nfs/dbraw/zinc/29/41/30/169294130.db2.gz XEALBFKUNCXFTO-UHFFFAOYSA-N 0 0 168.152 0.669 50 5 in-vitro ACBARN Nc1ccc([N+](=O)[O-])cn1 18810124 169294178 /nfs/dbraw/zinc/29/41/78/169294178.db2.gz UGSBCCAHDVCHGI-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1ccc([N+](=O)[O-])c(CO)c1 39432009 169294195 /nfs/dbraw/zinc/29/41/95/169294195.db2.gz VHFDIPNKJJLFLN-UHFFFAOYSA-N 0 0 168.152 0.669 50 5 in-vitro ACBARN Nc1ccc2nonc2c1[N+](=O)[O-] 4016552 169295584 /nfs/dbraw/zinc/29/55/84/169295584.db2.gz REYOCEWWSNTXIK-UHFFFAOYSA-N 0 0 180.123 0.713 50 5 ACBARN Nc1cccc(C=O)c1[N+](=O)[O-] 82046841 169296767 /nfs/dbraw/zinc/29/67/67/169296767.db2.gz MYJSHORNYHNRIP-UHFFFAOYSA-N 0 0 166.136 0.990 50 5 ACBARN Nc1cccc([N+](=O)[O-])n1 33369605 169297706 /nfs/dbraw/zinc/29/77/06/169297706.db2.gz JMAGBGSWLILKOC-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1cccc([N+](=O)[O-])c1O 35974094 169297811 /nfs/dbraw/zinc/29/78/11/169297811.db2.gz AACMNEWXGKOJJK-UHFFFAOYSA-N 0 0 154.125 0.883 50 5 in-vitro ACBARN Nc1cccc([N+](=O)[O-])c1N 4087238 169298024 /nfs/dbraw/zinc/29/80/24/169298024.db2.gz IOCXBXZBNOYTLQ-UHFFFAOYSA-N 0 0 153.141 0.759 50 5 in-vitro ACBARN Nc1cccc([N+](=O)[O-])c1CO 5161674 169298065 /nfs/dbraw/zinc/29/80/65/169298065.db2.gz BSQXKAWQRQDMAK-UHFFFAOYSA-N 0 0 168.152 0.669 50 5 in-vitro ACBARN Nc1ccnc(N)c1[N+](=O)[O-] 19802592 169300066 /nfs/dbraw/zinc/30/00/66/169300066.db2.gz LXNNKGSAWMJWJN-UHFFFAOYSA-N 0 0 154.129 0.154 50 5 in-vitro ACBARN Nc1ccnc([N+](=O)[O-])c1 2598995 169300959 /nfs/dbraw/zinc/30/09/59/169300959.db2.gz ZPFUWAVLEWIOEJ-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1ccncc1[N+](=O)[O-] 19798391 169301201 /nfs/dbraw/zinc/30/12/01/169301201.db2.gz IUPPEELMBOPLDJ-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1cncc([N+](=O)[O-])c1 14982119 169302529 /nfs/dbraw/zinc/30/25/29/169302529.db2.gz YRWMMPVSSQFMRQ-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1cnccc1[N+](=O)[O-] 14982118 169302903 /nfs/dbraw/zinc/30/29/03/169302903.db2.gz SXIUYRNIWXQXEA-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1cncc([N+](=O)[O-])c1N 19117694 169303054 /nfs/dbraw/zinc/30/30/54/169303054.db2.gz OMUADEPNIQXNRG-UHFFFAOYSA-N 0 0 154.129 0.154 50 5 in-vitro ACBARN Nc1nc(=S)[nH]cc1[N+](=O)[O-] 17289250 169305013 /nfs/dbraw/zinc/30/50/13/169305013.db2.gz ZUBDTVFGNPAKFJ-UHFFFAOYSA-N 0 0 172.169 0.630 50 5 in-vitro ACBARN Nc1nc(N)c([N+](=O)[O-])cc1[N+](=O)[O-] 18995849 169305373 /nfs/dbraw/zinc/30/53/73/169305373.db2.gz ZLJZDCVHRYAHAW-UHFFFAOYSA-N 0 0 199.126 0.062 50 5 in-vitro ACBARN Nc1nc(Cl)ncc1[N+](=O)[O-] 4243102 169305592 /nfs/dbraw/zinc/30/55/92/169305592.db2.gz RZGOEIWDMVQJBQ-UHFFFAOYSA-N 0 0 174.547 0.620 50 5 in-vitro ACBARN Nc1nc(N)c([N+](=O)[O-])c(Cl)n1 4802315 169305847 /nfs/dbraw/zinc/30/58/47/169305847.db2.gz PQRPNYCCQLFXNK-UHFFFAOYSA-N 0 0 189.562 0.203 50 5 ACBARN Nc1nc2ccc([N+](=O)[O-])cn2n1 66352058 169307854 /nfs/dbraw/zinc/30/78/54/169307854.db2.gz DPFDCZNFMJEQCU-UHFFFAOYSA-N 0 0 179.139 0.220 50 5 in-vitro ACBARN Nc1nc[nH]c(=S)c1[N+](=O)[O-] 5541049 169308250 /nfs/dbraw/zinc/30/82/50/169308250.db2.gz GBZNXKPARWLUIS-UHFFFAOYSA-N 0 0 172.169 0.630 50 5 ACBARN Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] 19831064 169308437 /nfs/dbraw/zinc/30/84/37/169308437.db2.gz QNZDCKBBTJYQDT-UHFFFAOYSA-N 0 0 184.111 0.480 50 5 ACBARN Nc1ncc([N+](=O)[O-])cc1O 33845737 169308484 /nfs/dbraw/zinc/30/84/84/169308484.db2.gz UXLVADZLQKGFIG-UHFFFAOYSA-N 0 0 155.113 0.278 50 5 in-vitro ACBARN Nc1ncc(F)cc1[N+](=O)[O-] 19616072 169308866 /nfs/dbraw/zinc/30/88/66/169308866.db2.gz LDYYBZNEWDTDEE-UHFFFAOYSA-N 0 0 157.104 0.711 50 5 in-vitro ACBARN Nc1ncc([N+](=O)[O-])s1 8579229 169309313 /nfs/dbraw/zinc/30/93/13/169309313.db2.gz MIHADVKEHAFNPG-UHFFFAOYSA-N 0 0 145.143 0.634 50 5 in-vitro ACBARN Nc1ncccc1[N+](=O)[O-] 19596908 169310067 /nfs/dbraw/zinc/31/00/67/169310067.db2.gz BPYHGTCRXDWOIQ-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Nc1ncnc(F)c1[N+](=O)[O-] 39135458 169310107 /nfs/dbraw/zinc/31/01/07/169310107.db2.gz TZFNJVQGFIGXHZ-UHFFFAOYSA-N 0 0 158.092 0.106 50 5 ACBARN Nc1ncnc(Cl)c1[N+](=O)[O-] 3866077 169310420 /nfs/dbraw/zinc/31/04/20/169310420.db2.gz BWLOHIMQWHFSQF-UHFFFAOYSA-N 0 0 174.547 0.620 50 5 in-vitro ACBARN Nc1nnc(-c2ccc([N+](=O)[O-])o2)o1 2568860 169310900 /nfs/dbraw/zinc/31/09/00/169310900.db2.gz VTWQUFUBSCXPOW-UHFFFAOYSA-N 0 0 196.122 0.820 50 5 in-vitro ACBARN Nc1nnc([N+](=O)[O-])s1 38890484 169311212 /nfs/dbraw/zinc/31/12/12/169311212.db2.gz QBKYONKMFRVSDY-UHFFFAOYSA-N 0 0 146.131 0.029 50 5 ACBARN Nc1nnc2ccc([N+](=O)[O-])cn12 91302191 169311403 /nfs/dbraw/zinc/31/14/03/169311403.db2.gz XDHRAEGNKOFBNS-UHFFFAOYSA-N 0 0 179.139 0.220 50 5 ACBARN O=C(CO)c1cccc([N+](=O)[O-])c1 168915 169321337 /nfs/dbraw/zinc/32/13/37/169321337.db2.gz DQOFDYBDBHDTPG-UHFFFAOYSA-N 0 0 181.147 0.770 50 5 in-vitro ACBARN O=C(CO)Nc1cccc([N+](=O)[O-])c1 57218572 169321437 /nfs/dbraw/zinc/32/14/37/169321437.db2.gz ZULJARDNKHCAPA-UHFFFAOYSA-N 0 0 196.162 0.526 50 5 in-vitro ACBARN O=C(CO)c1ccc([N+](=O)[O-])cc1 169831 169321908 /nfs/dbraw/zinc/32/19/08/169321908.db2.gz DRGHCHSDUDQWHJ-UHFFFAOYSA-N 0 0 181.147 0.770 50 5 in-vitro ACBARN O=C(Cn1cnc([N+](=O)[O-])c1)C1CC1 54560 169325161 /nfs/dbraw/zinc/32/51/61/169325161.db2.gz WFXVMWKDTRWTSP-UHFFFAOYSA-N 0 0 195.178 0.770 50 5 ACBARN O=C(Cn1cnc([N+](=O)[O-])n1)C1CC1 70801 169325458 /nfs/dbraw/zinc/32/54/58/169325458.db2.gz CZNVPFBZYFYUDM-UHFFFAOYSA-N 0 0 196.166 0.165 50 5 ACBARN O=C(NCO)c1ccc([N+](=O)[O-])cc1 135154 169328930 /nfs/dbraw/zinc/32/89/30/169328930.db2.gz CQBAFPMQYMJXAZ-UHFFFAOYSA-N 0 0 196.162 0.274 50 5 ACBARN O=C(c1ccc([N+](=O)[O-])cc1)C(O)O 1719157 169362809 /nfs/dbraw/zinc/36/28/09/169362809.db2.gz DUGSDYIJZMWGNA-UHFFFAOYSA-N 0 0 197.146 0.088 50 5 in-vitro ACBARN O=C1CC(n2cnc([N+](=O)[O-])c2)C1 77011371 169369040 /nfs/dbraw/zinc/36/90/40/169369040.db2.gz QWJAHWGRKIDLNY-UHFFFAOYSA-N 0 0 181.151 0.695 50 5 ACBARN O=C1CC[C@H](C[N+](=O)[O-])C1 85224422 169375349 /nfs/dbraw/zinc/37/53/49/169375349.db2.gz OXUCMXDWKATUHP-YFKPBYRVSA-N 0 0 143.142 0.632 50 5 ACBARN O=C1COc2ccc([N+](=O)[O-])cc2N1 168432 169379426 /nfs/dbraw/zinc/37/94/26/169379426.db2.gz UNYXDJBNODSRRC-UHFFFAOYSA-N 0 0 194.146 0.926 50 5 in-vitro ACBARN O=C1COc2cccc([N+](=O)[O-])c2N1 34450355 169379535 /nfs/dbraw/zinc/37/95/35/169379535.db2.gz MJMKRYIJNBIITM-UHFFFAOYSA-N 0 0 194.146 0.926 50 5 ACBARN O=C1COc2cc([N+](=O)[O-])ccc2N1 3883811 169379630 /nfs/dbraw/zinc/37/96/30/169379630.db2.gz YVGHCFMAEHXPBH-UHFFFAOYSA-N 0 0 194.146 0.926 50 5 in-vitro ACBARN O=C1COc2ccc([N+](=O)[O-])nc2N1 82699284 169379780 /nfs/dbraw/zinc/37/97/80/169379780.db2.gz JANHQSAAMLBUOH-UHFFFAOYSA-N 0 0 195.134 0.321 50 5 in-vitro ACBARN O=C1COc2c(cccc2[N+](=O)[O-])N1 31773334 169379955 /nfs/dbraw/zinc/37/99/55/169379955.db2.gz ADAJNAAIVIRINH-UHFFFAOYSA-N 0 0 194.146 0.926 50 5 ACBARN O=C1Cc2c([N+](=O)[O-])ccnc2N1 169803944 169384228 /nfs/dbraw/zinc/38/42/28/169384228.db2.gz WTLDHOARMFFBIQ-UHFFFAOYSA-N 0 0 179.135 0.484 50 5 ACBARN O=C1Cc2cc([N+](=O)[O-])cnc2N1 44712797 169384243 /nfs/dbraw/zinc/38/42/43/169384243.db2.gz KBPJYTUKKDDTCS-UHFFFAOYSA-N 0 0 179.135 0.484 50 5 in-vitro ACBARN O=C1NC(=O)c2cc([N+](=O)[O-])ccc21 105138 169385118 /nfs/dbraw/zinc/38/51/18/169385118.db2.gz ANYWGXDASKQYAD-UHFFFAOYSA-N 0 0 192.130 0.478 50 5 in-vitro ACBARN O=C1NCc2cc([N+](=O)[O-])ccc21 71422935 169386997 /nfs/dbraw/zinc/38/69/97/169386997.db2.gz CZXUANYPXDFFOG-UHFFFAOYSA-N 0 0 178.147 0.838 50 5 in-vitro ACBARN O=C1NCCc2ccc([N+](=O)[O-])cc21 39409444 169387169 /nfs/dbraw/zinc/38/71/69/169387169.db2.gz QJSWPNBVJSANQK-UHFFFAOYSA-N 0 0 192.174 0.881 50 5 ACBARN O=C1NCc2ccc([N+](=O)[O-])cc21 28048487 169387368 /nfs/dbraw/zinc/38/73/68/169387368.db2.gz QKFIHDGZIPOWKP-UHFFFAOYSA-N 0 0 178.147 0.838 50 5 in-vitro ACBARN O=C1NCCc2ncc([N+](=O)[O-])cc21 95764248 169387475 /nfs/dbraw/zinc/38/74/75/169387475.db2.gz SGIORKLHQSWESR-UHFFFAOYSA-N 0 0 193.162 0.276 50 5 ACBARN O=C1NCc2c1cccc2[N+](=O)[O-] 16698760 169387814 /nfs/dbraw/zinc/38/78/14/169387814.db2.gz RTDDSWLIZLMORY-UHFFFAOYSA-N 0 0 178.147 0.838 50 5 in-vitro ACBARN O=C1NCc2cccc([N+](=O)[O-])c21 12505542 169388407 /nfs/dbraw/zinc/38/84/07/169388407.db2.gz LCDQMYJTXPCJLX-UHFFFAOYSA-N 0 0 178.147 0.838 50 5 in-vitro ACBARN O=C1Nc2c(cccc2[N+](=O)[O-])C1=O 5945431 169389312 /nfs/dbraw/zinc/38/93/12/169389312.db2.gz GVZRFFXBGZSJTH-UHFFFAOYSA-N 0 0 192.130 0.730 50 5 in-vitro ACBARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=O 3860649 169390833 /nfs/dbraw/zinc/39/08/33/169390833.db2.gz UNMYHYODJHKLOC-UHFFFAOYSA-N 0 0 192.130 0.730 50 5 in-vivo ACBARN O=CC(=O)c1ccc([N+](=O)[O-])cc1 1579097 169395277 /nfs/dbraw/zinc/39/52/77/169395277.db2.gz ILVKBBGIGNSVDO-UHFFFAOYSA-N 0 0 179.131 0.976 50 5 ACBARN O=CNc1ncc([N+](=O)[O-])s1 4216333 169399651 /nfs/dbraw/zinc/39/96/51/169399651.db2.gz ODLJCVGAFRZOOB-UHFFFAOYSA-N 0 0 173.153 0.620 50 5 in-man ACBARN O=Cc1ccc([N+](=O)[O-])cn1 21985566 169404670 /nfs/dbraw/zinc/40/46/70/169404670.db2.gz NBHKYBWIGBFSRE-UHFFFAOYSA-N 0 0 152.109 0.802 50 5 ACBARN O=Cc1ccncc1[N+](=O)[O-] 14983388 169406146 /nfs/dbraw/zinc/40/61/46/169406146.db2.gz CPHKHQSASVFAHL-UHFFFAOYSA-N 0 0 152.109 0.802 50 5 in-vitro ACBARN O=[N+]([O-])C=C1CCCN1 3015533 169412553 /nfs/dbraw/zinc/41/25/53/169412553.db2.gz LKMGDZMCCPSUFI-PLNGDYQASA-N 0 0 128.131 0.488 50 5 ACBARN O=[N+]([O-])c1n[nH]c2nncn12 4343691 169412856 /nfs/dbraw/zinc/41/28/56/169412856.db2.gz ZHDIWIXRSZUWRV-GSVOUGTGSA-N 0 0 154.089 0.108 50 5 ACBARN O=[N+]([O-])c1cc[n+]([O-])cc1 1680675 169413126 /nfs/dbraw/zinc/41/31/26/169413126.db2.gz RXKNNAKAVAHBNK-UHFFFAOYSA-N 0 0 140.098 0.228 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(CO)o1 1081206 169413138 /nfs/dbraw/zinc/41/31/38/169413138.db2.gz NDSTUUPEXNCUNW-UHFFFAOYSA-N 0 0 143.098 0.680 50 5 ACBARN O=[N+]([O-])c1cc[nH]c1 2527916 169413165 /nfs/dbraw/zinc/41/31/65/169413165.db2.gz LOJNBPNACKZWAI-UHFFFAOYSA-N 0 0 112.088 0.923 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(NCCO)nc1 19232451 169413250 /nfs/dbraw/zinc/41/32/50/169413250.db2.gz STGZMDMCSWZWHU-UHFFFAOYSA-N 0 0 183.167 0.394 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc([N+](=O)[O-])nc1 14982762 169413279 /nfs/dbraw/zinc/41/32/79/169413279.db2.gz HRXDYINZWPPUJS-UHFFFAOYSA-N 0 0 169.096 0.898 50 5 ACBARN O=[N+]([O-])c1ccc([C@H]2N[C@@H]2CO)cc1 169377451 169413338 /nfs/dbraw/zinc/41/33/38/169413338.db2.gz WPEJVIRQAAQCFW-RKDXNWHRSA-N 0 0 194.190 0.600 50 5 ACBARN O=[N+]([O-])c1ccc([C@H](O)CO)cc1 1459891 169413501 /nfs/dbraw/zinc/41/35/01/169413501.db2.gz YOJHBFHEOQUUAR-MRVPVSSYSA-N 0 0 183.163 0.621 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(CO)c([N+](=O)[O-])c1 2037549 169413570 /nfs/dbraw/zinc/41/35/70/169413570.db2.gz ZKKOBDGQUYKWFN-UHFFFAOYSA-N 0 0 198.134 0.995 50 5 ACBARN O=[N+]([O-])c1ccc([C@@H]2N[C@H]2CO)cc1 169377452 169413640 /nfs/dbraw/zinc/41/36/40/169413640.db2.gz WPEJVIRQAAQCFW-IUCAKERBSA-N 0 0 194.190 0.600 50 5 ACBARN O=[N+]([O-])c1ccc(OCCO)cc1 1661138 169413706 /nfs/dbraw/zinc/41/37/06/169413706.db2.gz YAPAEYFBLRVUMH-UHFFFAOYSA-N 0 0 183.163 0.966 50 5 ACBARN O=[N+]([O-])c1cccnc1 2559924 169413946 /nfs/dbraw/zinc/41/39/46/169413946.db2.gz QLILRKBRWXALIE-UHFFFAOYSA-N 0 0 124.099 0.990 50 5 in-vitro ACBARN O=[N+]([O-])c1cccnc1NCCCO 20324424 169414021 /nfs/dbraw/zinc/41/40/21/169414021.db2.gz DDDRGIDURANGDB-UHFFFAOYSA-N 0 0 197.194 0.784 50 5 ACBARN O=[N+]([O-])c1cccc(OCCO)c1 2030297 169414039 /nfs/dbraw/zinc/41/40/39/169414039.db2.gz GPYPMRCKTUAVQI-UHFFFAOYSA-N 0 0 183.163 0.966 50 5 ACBARN O=[N+]([O-])c1cccc(CO)c1CO 97756622 169414251 /nfs/dbraw/zinc/41/42/51/169414251.db2.gz RTBJYRKBTZNNLE-UHFFFAOYSA-N 0 0 183.163 0.579 50 5 ACBARN O=[N+]([O-])c1cccn2cnnc12 1705757 169414255 /nfs/dbraw/zinc/41/42/55/169414255.db2.gz VKNXTGMZHIZTOZ-UHFFFAOYSA-N 0 0 164.124 0.638 50 5 ACBARN O=[N+]([O-])c1ccnc2[nH]cnc12 80443421 169414428 /nfs/dbraw/zinc/41/44/28/169414428.db2.gz GKNVWOWIFVSUFJ-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 ACBARN O=[N+]([O-])c1ccc2ncnn2c1 82749391 169414464 /nfs/dbraw/zinc/41/44/64/169414464.db2.gz GIGSHORTMYGUNA-UHFFFAOYSA-N 0 0 164.124 0.638 50 5 ACBARN O=[N+]([O-])c1ccnn1CCF 95836806 169414574 /nfs/dbraw/zinc/41/45/74/169414574.db2.gz ZYMQESIDGTUPLO-UHFFFAOYSA-N 0 0 159.120 0.761 50 5 ACBARN O=[N+]([O-])c1ccc2no[n+]([O-])c2c1 4812413 169414610 /nfs/dbraw/zinc/41/46/10/169414610.db2.gz HZJXIOCJWZTHSY-UHFFFAOYSA-N 0 0 181.107 0.369 50 5 ACBARN O=[N+]([O-])c1cn[nH]c1 1049761 169414771 /nfs/dbraw/zinc/41/47/71/169414771.db2.gz XORHNJQEWQGXCN-UHFFFAOYSA-N 0 0 113.076 0.318 50 5 ACBARN O=[N+]([O-])c1cnn(C[C@H]2CO2)c1 19810715 169414774 /nfs/dbraw/zinc/41/47/74/169414774.db2.gz VIZVMNQUUUAGAW-LURJTMIESA-N 0 0 169.140 0.190 50 5 ACBARN O=[N+]([O-])c1cnn(C[C@H]2CCOC2)c1 12398982 169414839 /nfs/dbraw/zinc/41/48/39/169414839.db2.gz OPVYVSDXZYGHDE-SSDOTTSWSA-N 0 0 197.194 0.828 50 5 ACBARN O=[N+]([O-])c1cnc(OC2COC2)nc1 71791933 169414886 /nfs/dbraw/zinc/41/48/86/169414886.db2.gz HPOSGZUMRCUCGL-UHFFFAOYSA-N 0 0 197.150 0.162 50 5 ACBARN O=[N+]([O-])c1cnoc1 15782467 169414917 /nfs/dbraw/zinc/41/49/17/169414917.db2.gz LLLMLGQOFWRRTH-UHFFFAOYSA-N 0 0 114.060 0.583 50 5 in-vitro ACBARN O=[N+]([O-])c1cnc(NCCO)s1 67351112 169414925 /nfs/dbraw/zinc/41/49/25/169414925.db2.gz CQLOMPFVTLLJCL-UHFFFAOYSA-N 0 0 189.196 0.456 50 5 ACBARN O=[N+]([O-])c1cnc2ccnn2c1 1560005 169414995 /nfs/dbraw/zinc/41/49/95/169414995.db2.gz XTBKXLPFPKGPEH-UHFFFAOYSA-N 0 0 164.124 0.638 50 5 in-vitro ACBARN O=[N+]([O-])c1cnc2ncccn12 12357304 169415004 /nfs/dbraw/zinc/41/50/04/169415004.db2.gz VYNCOYHBUAVDGI-UHFFFAOYSA-N 0 0 164.124 0.638 50 5 in-vitro ACBARN O=[N+]([O-])c1cn([C@H]2C[C@@H](O)C2)cn1 101003750 169415057 /nfs/dbraw/zinc/41/50/57/169415057.db2.gz BCWKOPMBUZHCDL-IZLXSQMJSA-N 0 0 183.167 0.487 50 5 ACBARN O=[N+]([O-])c1cnccc1OCCO 95495973 169415069 /nfs/dbraw/zinc/41/50/69/169415069.db2.gz VXSWGQCWDQHEPC-UHFFFAOYSA-N 0 0 184.151 0.361 50 5 in-vitro ACBARN O=[N+]([O-])c1c[nH]cc2ncnc1-2 6397317 169415105 /nfs/dbraw/zinc/41/51/05/169415105.db2.gz FOSUCGAZVJQZTK-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 ACBARN O=c1[nH]c2ccnc([N+](=O)[O-])c2[nH]1 15951920 169416275 /nfs/dbraw/zinc/41/62/75/169416275.db2.gz XPQAXDITCSTPAJ-UHFFFAOYSA-N 0 0 180.123 0.159 50 5 ACBARN O=c1nc[nH]c2sc([N+](=O)[O-])cc12 35287399 169417271 /nfs/dbraw/zinc/41/72/71/169417271.db2.gz JKIINYBBWNXMCW-UHFFFAOYSA-N 0 0 197.175 0.893 50 5 in-vitro ACBARN O=c1cnc2cc([N+](=O)[O-])ccc2[nH]1 5409228 169421096 /nfs/dbraw/zinc/42/10/96/169421096.db2.gz OEAOPCQDVJKMQC-UHFFFAOYSA-N 0 0 191.146 0.831 50 5 ACBARN O=[N+]([O-])C[C@@H](O)c1ccccc1 54294 170991013 /nfs/dbraw/zinc/99/10/13/170991013.db2.gz XUEWIQNQPBSCOR-MRVPVSSYSA-N 0 0 167.164 0.997 50 5 ACBARN O=[N+]([O-])CC1(O)CCCCC1 1597412 170998273 /nfs/dbraw/zinc/99/82/73/170998273.db2.gz WYXVEDWVPJRBJM-UHFFFAOYSA-N 0 0 159.185 0.958 50 5 in-vitro ACBARN O=[N+]([O-])c1cc(CO)ccc1CO 2164744 171005172 /nfs/dbraw/zinc/00/51/72/171005172.db2.gz KWVHOBYJXDKIPL-UHFFFAOYSA-N 0 0 183.163 0.579 50 5 in-vitro ACBARN O=[N+]([O-])C[C@H](O)c1ccccc1 2545712 171006961 /nfs/dbraw/zinc/00/69/61/171006961.db2.gz XUEWIQNQPBSCOR-QMMMGPOBSA-N 0 0 167.164 0.997 50 5 ACBARN O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1 2567955 171007596 /nfs/dbraw/zinc/00/75/96/171007596.db2.gz GPHYIQCSMDYRGJ-UHFFFAOYSA-N 0 0 198.134 0.995 50 5 in-vitro ACBARN CS/C(=C\[N+](=O)[O-])NN(C)C 3210020 171009814 /nfs/dbraw/zinc/00/98/14/171009814.db2.gz QAUBTIIOIQMXCV-PLNGDYQASA-N 0 0 177.229 0.491 50 5 ACBARN Nc1ccc(N)c([N+](=O)[O-])c1 3860651 171010518 /nfs/dbraw/zinc/01/05/18/171010518.db2.gz HVHNMNGARPCGGD-UHFFFAOYSA-N 0 0 153.141 0.759 50 5 in-vitro ACBARN O=[N+]([O-])c1nnc2c([N+](=O)[O-])[nH][nH]c1-2 4067460 171010855 /nfs/dbraw/zinc/01/08/55/171010855.db2.gz YTCNSWQTKDMZRA-UHFFFAOYSA-N 0 0 198.098 0.102 50 5 ACBARN NC(=O)c1cc([N+](=O)[O-])ccc1N 4013991 171011387 /nfs/dbraw/zinc/01/13/87/171011387.db2.gz SOBQOVZAFJDEJI-UHFFFAOYSA-N 0 0 181.151 0.276 50 5 in-vitro ACBARN O=[N+]([O-])c1n[nH]cc1Cl 4086103 171011437 /nfs/dbraw/zinc/01/14/37/171011437.db2.gz KXSYKRYVQOBQJM-UHFFFAOYSA-N 0 0 147.521 0.971 50 5 in-vitro ACBARN O=[N+]([O-])c1nn(CO)cc1Cl 4290898 171012113 /nfs/dbraw/zinc/01/21/13/171012113.db2.gz MRWJHTWUGHYVHZ-UHFFFAOYSA-N 0 0 177.547 0.395 50 5 ACBARN O=[N+]([O-])c1cc([N+](=O)[O-])[nH]n1 4343199 171012940 /nfs/dbraw/zinc/01/29/40/171012940.db2.gz UKZXCZWGGXVKNN-UHFFFAOYSA-N 0 0 158.073 0.226 50 5 ACBARN COC(=O)c1n[nH]cc1[N+](=O)[O-] 4343026 171013206 /nfs/dbraw/zinc/01/32/06/171013206.db2.gz ARAFBUCGMOKZMI-UHFFFAOYSA-N 0 0 171.112 0.105 50 5 in-vitro ACBARN O=[N+]([O-])c1nonc1-c1ncon1 4844055 171014948 /nfs/dbraw/zinc/01/49/48/171014948.db2.gz DIXVXWFSLTZALH-UHFFFAOYSA-N 0 0 183.083 0.028 50 5 ACBARN O=[N+]([O-])c1ncn(-c2nncs2)n1 5163202 171015451 /nfs/dbraw/zinc/01/54/51/171015451.db2.gz QMCBJCJOZVSZKB-UHFFFAOYSA-N 0 0 198.167 0.027 50 5 ACBARN O=[N+]([O-])c1c[nH]nc1[N+](=O)[O-] 5248441 171016554 /nfs/dbraw/zinc/01/65/54/171016554.db2.gz VXMCBBMNFIAYQD-UHFFFAOYSA-N 0 0 158.073 0.226 50 5 in-vitro ACBARN O=[N+]([O-])c1nc[nH]c1Cl 6645761 171020702 /nfs/dbraw/zinc/02/07/02/171020702.db2.gz ZJYZSKPVPVBBFB-UHFFFAOYSA-N 0 0 147.521 0.971 50 5 in-vitro ACBARN O=[N+]([O-])CCn1nnc2ccccc21 6886174 171021252 /nfs/dbraw/zinc/02/12/52/171021252.db2.gz KXBLIYWEWXAPHP-UHFFFAOYSA-N 0 0 192.178 0.708 50 5 ACBARN NC(=O)c1ccc([N+](=O)[O-])cc1N 8698445 171022219 /nfs/dbraw/zinc/02/22/19/171022219.db2.gz FHIFCKSBNKKCJM-UHFFFAOYSA-N 0 0 181.151 0.276 50 5 in-vitro ACBARN O=[N+]([O-])c1nn(CCO)cc1Cl 12357747 171024452 /nfs/dbraw/zinc/02/44/52/171024452.db2.gz FCNMUYFVTXXSSL-UHFFFAOYSA-N 0 0 191.574 0.437 50 5 in-vitro ACBARN O=[N+]([O-])c1c[nH]cn1 12358712 171024865 /nfs/dbraw/zinc/02/48/65/171024865.db2.gz VYDWQPKRHOGLPA-UHFFFAOYSA-N 0 0 113.076 0.318 50 5 in-vitro ACBARN O=[N+]([O-])c1ncn(CC(F)F)n1 12397049 171025292 /nfs/dbraw/zinc/02/52/92/171025292.db2.gz NQEXCUHZQFKHHU-UHFFFAOYSA-N 0 0 178.098 0.451 50 5 ACBARN O=[N+]([O-])c1nccn1C[C@@H]1CO1 12967604 171026534 /nfs/dbraw/zinc/02/65/34/171026534.db2.gz SYFMSLVOHQZYEB-RXMQYKEDSA-N 0 0 169.140 0.190 50 5 in-vitro ACBARN O=[N+]([O-])c1cc(O)ccc1NCCO 15022123 171029181 /nfs/dbraw/zinc/02/91/81/171029181.db2.gz UXKLYBMQAHYULT-UHFFFAOYSA-N 0 0 198.178 0.705 50 5 in-vitro ACBARN O=[N+]([O-])CCC1OCCO1 15021206 171029253 /nfs/dbraw/zinc/02/92/53/171029253.db2.gz ZYXOSRQIZOOVTN-UHFFFAOYSA-N 0 0 147.130 0.026 50 5 in-vitro ACBARN Nc1c(C=O)cccc1[N+](=O)[O-] 16678106 171030462 /nfs/dbraw/zinc/03/04/62/171030462.db2.gz LDKGAMZVANIDGZ-UHFFFAOYSA-N 0 0 166.136 0.990 50 5 in-vitro ACBARN Cc1ccnc(N)c1[N+](=O)[O-] 19015177 171032587 /nfs/dbraw/zinc/03/25/87/171032587.db2.gz IKMZGACFMXZAAT-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN O=[N+]([O-])c1nn2cc[nH]c2c1[N+](=O)[O-] 18210369 171032812 /nfs/dbraw/zinc/03/28/12/171032812.db2.gz JJKFUBXGRKQUFQ-UHFFFAOYSA-N 0 0 197.110 0.479 50 5 ACBARN NC(=O)c1ccc([N+](=O)[O-])cn1 22013285 171042243 /nfs/dbraw/zinc/04/22/43/171042243.db2.gz JGLGOTZFQGEALJ-UHFFFAOYSA-N 0 0 167.124 0.089 50 5 in-vitro ACBARN COc1ccc(NN)c([N+](=O)[O-])c1 22146513 171042260 /nfs/dbraw/zinc/04/22/60/171042260.db2.gz WMJOCGQUSXPCEP-UHFFFAOYSA-N 0 0 183.167 0.889 50 5 ACBARN NC(=O)c1ccc([N+](=O)[O-])cc1F 26522358 171045334 /nfs/dbraw/zinc/04/53/34/171045334.db2.gz MPYXSYLXWAVLLK-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 in-vitro ACBARN NC(=O)c1cc([N+](=O)[O-])ccc1[O-] 30714511 171049017 /nfs/dbraw/zinc/04/90/17/171049017.db2.gz SVIKHLOGVRDSGQ-UHFFFAOYSA-N 0 0 182.135 0.399 50 5 in-vitro ACBARN NC(=O)c1ncccc1[N+](=O)[O-] 32150066 171049938 /nfs/dbraw/zinc/04/99/38/171049938.db2.gz WBWLACQQQPKOSM-UHFFFAOYSA-N 0 0 167.124 0.089 50 5 ACBARN NC(=O)c1ccc(F)c([N+](=O)[O-])c1 32579460 171050782 /nfs/dbraw/zinc/05/07/82/171050782.db2.gz XQKXDVBKKZWIAZ-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 in-vitro ACBARN O=[N+]([O-])c1c(CO)cccc1CO 34078822 171053092 /nfs/dbraw/zinc/05/30/92/171053092.db2.gz KZYWBYBQPIOWIY-UHFFFAOYSA-N 0 0 183.163 0.579 50 5 in-vitro ACBARN O=[N+]([O-])C1CCC1 34129288 171053257 /nfs/dbraw/zinc/05/32/57/171053257.db2.gz IPVBXZMWDWJWHR-UHFFFAOYSA-N 0 0 101.105 0.816 50 5 in-vitro ACBARN NC(=O)c1cccc([N+](=O)[O-])c1N 34479693 171055811 /nfs/dbraw/zinc/05/58/11/171055811.db2.gz RMLPQVFYXZMJES-UHFFFAOYSA-N 0 0 181.151 0.276 50 5 ACBARN NC(=O)c1ccc([N+](=O)[O-])c(F)c1 34545889 171056454 /nfs/dbraw/zinc/05/64/54/171056454.db2.gz CKHYKLBLOPFXTB-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 ACBARN NC(=O)c1cc([N+](=O)[O-])cs1 34743755 171057579 /nfs/dbraw/zinc/05/75/79/171057579.db2.gz WIMGYMPUMRABOR-UHFFFAOYSA-N 0 0 172.165 0.755 50 5 in-vitro ACBARN CNc1ccc(C(N)=O)cc1[N+](=O)[O-] 35084452 171057894 /nfs/dbraw/zinc/05/78/94/171057894.db2.gz WNOSSDZXZJHRNE-UHFFFAOYSA-N 0 0 195.178 0.735 50 5 in-vitro ACBARN NC(=O)c1ccc(N)c([N+](=O)[O-])c1 35084486 171058455 /nfs/dbraw/zinc/05/84/55/171058455.db2.gz YLKLDLKLEXDSJY-UHFFFAOYSA-N 0 0 181.151 0.276 50 5 in-vitro ACBARN NC(=O)c1cc([N+](=O)[O-])ccc1F 37286047 171062801 /nfs/dbraw/zinc/06/28/01/171062801.db2.gz BUTLXOOSCSREJN-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 ACBARN NC(=O)c1cc(F)ccc1[N+](=O)[O-] 37669293 171065813 /nfs/dbraw/zinc/06/58/13/171065813.db2.gz FIAHHCYZKNNOQH-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 in-vitro ACBARN NC(=O)c1cc([N+](=O)[O-])ccn1 38760234 171070208 /nfs/dbraw/zinc/07/02/08/171070208.db2.gz YHXZXPVYNDFMEL-UHFFFAOYSA-N 0 0 167.124 0.089 50 5 ACBARN NC(=O)c1cc(N)ccc1[N+](=O)[O-] 39248554 171077734 /nfs/dbraw/zinc/07/77/34/171077734.db2.gz CCEJTEOJAKTTFU-UHFFFAOYSA-N 0 0 181.151 0.276 50 5 ACBARN O=[N+]([O-])c1n[nH]c2cnccc12 39262016 171077979 /nfs/dbraw/zinc/07/79/79/171077979.db2.gz VVSLBMZXHWNKSN-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 ACBARN NC(=O)c1cc(F)cc([N+](=O)[O-])c1 43463444 171087851 /nfs/dbraw/zinc/08/78/51/171087851.db2.gz QIQDJNUUWYCZFZ-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 ACBARN O=[N+]([O-])c1c[nH]c(CO)c1 43828030 171089081 /nfs/dbraw/zinc/08/90/81/171089081.db2.gz MVRVBUWEIJAYLK-UHFFFAOYSA-N 0 0 142.114 0.415 50 5 ACBARN O=[N+]([O-])c1n[nH]c2ncccc12 66322757 171104276 /nfs/dbraw/zinc/10/42/76/171104276.db2.gz BAUHQAOOAIVBTO-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 ACBARN Cc1cc([N+](=O)[O-])c(F)c[n+]1[O-] 71256061 171106570 /nfs/dbraw/zinc/10/65/70/171106570.db2.gz BWNXTHJYONDSFG-UHFFFAOYSA-N 0 0 172.115 0.676 50 5 in-vitro ACBARN O=[N+]([O-])C1CCOCC1 72194212 171109612 /nfs/dbraw/zinc/10/96/12/171109612.db2.gz NEJGJDRGDXBKGD-UHFFFAOYSA-N 0 0 131.131 0.442 50 5 ACBARN O=[N+]([O-])C[C@@H]1CCCCO1 72424478 171110715 /nfs/dbraw/zinc/11/07/15/171110715.db2.gz KQZCMSSTZPLPJK-LURJTMIESA-N 0 0 145.158 0.832 50 5 ACBARN O=[N+]([O-])C[C@H]1CCCCO1 72424479 171110903 /nfs/dbraw/zinc/11/09/03/171110903.db2.gz KQZCMSSTZPLPJK-ZCFIWIBFSA-N 0 0 145.158 0.832 50 5 ACBARN O=C1CC[C@@H](C[N+](=O)[O-])C1 85224419 171131359 /nfs/dbraw/zinc/13/13/59/171131359.db2.gz OXUCMXDWKATUHP-RXMQYKEDSA-N 0 0 143.142 0.632 50 5 ACBARN Nc1c(CO)cccc1[N+](=O)[O-] 16678105 171135473 /nfs/dbraw/zinc/13/54/73/171135473.db2.gz KFDXMUKYIMSGDC-UHFFFAOYSA-N 0 0 168.152 0.669 50 5 in-vitro ACBARN O=[N+]([O-])C[C@@H](O)C1CC1 95080083 171136116 /nfs/dbraw/zinc/13/61/16/171136116.db2.gz IWZPNMNTVFKFOH-RXMQYKEDSA-N 0 0 131.131 0.034 50 5 in-vitro ACBARN O=[N+]([O-])C[C@H](O)C1CC1 95080084 171136131 /nfs/dbraw/zinc/13/61/31/171136131.db2.gz IWZPNMNTVFKFOH-YFKPBYRVSA-N 0 0 131.131 0.034 50 5 in-vitro ACBARN O=[N+]([O-])c1c[nH]nc1Cl 95930244 171140639 /nfs/dbraw/zinc/14/06/39/171140639.db2.gz GWCLPNSISWCBJD-UHFFFAOYSA-N 0 0 147.521 0.971 50 5 in-vitro ACBARN O=[N+]([O-])C1CCC2(CC1)OCCO2 97759116 171142428 /nfs/dbraw/zinc/14/24/28/171142428.db2.gz QWKNDRYGFOFRES-UHFFFAOYSA-N 0 0 187.195 0.949 50 5 in-vitro ACBARN NC(=O)c1cccc([N+](=O)[O-])c1F 98213540 171142971 /nfs/dbraw/zinc/14/29/71/171142971.db2.gz IELKGBJSSIULFW-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 ACBARN O=[N+]([O-])c1ncccc1CO 98213526 171143197 /nfs/dbraw/zinc/14/31/97/171143197.db2.gz WCOJNZDASNEVCP-UHFFFAOYSA-N 0 0 154.125 0.482 50 5 ACBARN CC(=O)Nc1cccc([N+](=O)[O-])n1 104679821 171148284 /nfs/dbraw/zinc/14/82/84/171148284.db2.gz WDPSYOFLOQRVTQ-UHFFFAOYSA-N 0 0 181.151 0.948 50 5 ACBARN NC(=O)c1ccccc1CC[N+](=O)[O-] 1395951 171163095 /nfs/dbraw/zinc/16/30/95/171163095.db2.gz QGPSJDGCHVGONF-UHFFFAOYSA-N 0 0 194.190 0.605 50 5 ACBARN O=[N+]([O-])c1nn2cc[nH]c2c1[N+](=O)[O-] 103963805 171164272 /nfs/dbraw/zinc/16/42/72/171164272.db2.gz NVEYJUDAQUQZDR-UHFFFAOYSA-N 0 0 197.110 0.479 50 5 ACBARN O=[N+]([O-])c1cnn2cc[nH]c12 103928524 171164312 /nfs/dbraw/zinc/16/43/12/171164312.db2.gz AZEOCTLRFDVEMU-UHFFFAOYSA-N 0 0 152.113 0.571 50 5 ACBARN COc1[n-][n+](=O)c(C)cc1[N+](=O)[O-] 334138836 171165549 /nfs/dbraw/zinc/16/55/49/171165549.db2.gz WCBUHPFCOJUTGQ-UHFFFAOYSA-N 0 0 186.147 0.154 50 5 ACBARN O=[N+]([O-])c1cc(F)c[n+]([O-])c1 216718437 171181726 /nfs/dbraw/zinc/18/17/26/171181726.db2.gz JUOYNPMFWRRDAT-UHFFFAOYSA-N 0 0 158.088 0.367 50 5 ACBARN O=[N+]([O-])c1c[nH]nc1OCC(F)F 223253307 171183123 /nfs/dbraw/zinc/18/31/23/171183123.db2.gz IVZGNFMNYGCHAS-UHFFFAOYSA-N 0 0 193.109 0.962 50 5 ACBARN O=[N+]([O-])c1nc[nH]c1N1CCCC1 8694826 171199370 /nfs/dbraw/zinc/19/93/70/171199370.db2.gz CDPJLMREXVXPNY-UHFFFAOYSA-N 0 0 182.183 0.918 50 5 ACBARN O=[N+]([O-])c1ncc[nH]1 1481980 171206548 /nfs/dbraw/zinc/20/65/48/171206548.db2.gz YZEUHQHUFTYLPH-UHFFFAOYSA-N 0 0 113.076 0.318 50 5 in-vitro ACBARN O=c1[nH]ncc2ccc([N+](=O)[O-])cc12 16928034 171206835 /nfs/dbraw/zinc/20/68/35/171206835.db2.gz OOKJRZYVWWMGFI-UHFFFAOYSA-N 0 0 191.146 0.831 50 5 ACBARN CN(C)c1ncc([N+](=O)[O-])c(N)n1 4822311 171221681 /nfs/dbraw/zinc/22/16/81/171221681.db2.gz CBIXYNSEBOBXRD-UHFFFAOYSA-N 0 0 183.171 0.033 50 5 ACBARN CCOC(=O)c1c([N+](=O)[O-])cnn1C 202528488 344367220 /nfs/dbraw/zinc/36/72/20/344367220.db2.gz IFHXCLWXSRCTAX-UHFFFAOYSA-N 0 0 199.166 0.505 50 5 in-vitro ACBARN COc1cnc([N+](=O)[O-])c(N)c1 231411191 344653028 /nfs/dbraw/zinc/65/30/28/344653028.db2.gz AKNPJOKVOOPOLX-UHFFFAOYSA-N 0 0 169.140 0.581 50 5 ACBARN O=[N+]([O-])c1c[nH]c(Cl)n1 5425251 207350831 /nfs/dbraw/zinc/35/08/31/207350831.db2.gz BOJZBRDIZUHTCE-UHFFFAOYSA-N 0 0 147.521 0.971 50 5 in-vitro ACBARN O=[N+]([O-])c1nccn1C[C@H]1CO1 5460152 207351071 /nfs/dbraw/zinc/35/10/71/207351071.db2.gz SYFMSLVOHQZYEB-YFKPBYRVSA-N 0 0 169.140 0.190 50 5 in-vitro ACBARN COC(=O)c1cn(C)c([N+](=O)[O-])n1 307709440 346196676 /nfs/dbraw/zinc/19/66/76/346196676.db2.gz MHBBFGNBIFRFNR-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 ACBARN O=[N+]([O-])[C@@H](CO)[C@@H](O)c1ccccc1 6116234 351350184 /nfs/dbraw/zinc/35/01/84/351350184.db2.gz KAPBNJZOLYDLQK-IUCAKERBSA-N 0 0 197.190 0.358 50 5 ACBARN NNc1cccc([N+](=O)[O-])n1 238582237 325632615 /nfs/dbraw/zinc/63/26/15/325632615.db2.gz CMYGHUYAKQXWLN-UHFFFAOYSA-N 0 0 154.129 0.275 50 5 ACBARN Cc1ncc([N+](=O)[O-])n1C 1307 342923738 /nfs/dbraw/zinc/92/37/38/342923738.db2.gz IBXPYPUJPLLOIN-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 in-man ACBARN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O 711 342923819 /nfs/dbraw/zinc/92/38/19/342923819.db2.gz KPQZUUQMTUIKBP-RXMQYKEDSA-N 0 0 185.183 0.481 50 5 fda ACBARN Cc1cc(C)n(C)c(=O)c1[N+](=O)[O-] 52534 342924911 /nfs/dbraw/zinc/92/49/11/342924911.db2.gz SPHZKZXKGGVRKM-UHFFFAOYSA-N 0 0 182.179 0.910 50 5 ACBARN Cc1n[nH]c(C)c1[N+](=O)[O-] 49624 342924990 /nfs/dbraw/zinc/92/49/90/342924990.db2.gz OFQCJVVJRNPSET-UHFFFAOYSA-N 0 0 141.130 0.935 50 5 in-vitro ACBARN O=[N+]([O-])C[C@@H](O)c1ccncc1 98858 342926890 /nfs/dbraw/zinc/92/68/90/342926890.db2.gz SGMASOGGNOSBGC-SSDOTTSWSA-N 0 0 168.152 0.392 50 5 ACBARN O=[N+]([O-])C[C@H](O)c1ccncc1 98862 342926913 /nfs/dbraw/zinc/92/69/13/342926913.db2.gz SGMASOGGNOSBGC-ZETCQYMHSA-N 0 0 168.152 0.392 50 5 ACBARN O=[N+]([O-])c1cc2c(cc1CO)OCO2 119845 342927294 /nfs/dbraw/zinc/92/72/94/342927294.db2.gz XSKQKDTZQNFCCB-UHFFFAOYSA-N 0 0 197.146 0.816 50 5 in-vitro ACBARN Cc1nn(C)c(C)c1[N+](=O)[O-] 141169 342928102 /nfs/dbraw/zinc/92/81/02/342928102.db2.gz YSZYFGMARJFMJK-UHFFFAOYSA-N 0 0 155.157 0.945 50 5 in-vitro ACBARN O=[N+]([O-])CCO[C@@H]1CCCCO1 155438 342928902 /nfs/dbraw/zinc/92/89/02/342928902.db2.gz KQDXRRAVDLIMGM-SSDOTTSWSA-N 0 0 175.184 0.806 50 5 in-vitro ACBARN O=[N+]([O-])CCO[C@H]1CCCCO1 155437 342928963 /nfs/dbraw/zinc/92/89/63/342928963.db2.gz KQDXRRAVDLIMGM-ZETCQYMHSA-N 0 0 175.184 0.806 50 5 in-vitro ACBARN NC(=O)c1ccc([N+](=O)[O-])cc1 163490 342930531 /nfs/dbraw/zinc/93/05/31/342930531.db2.gz ZESWUEBPRPGMTP-UHFFFAOYSA-N 0 0 166.136 0.694 50 5 in-vitro ACBARN NC(=O)c1ccccc1[N+](=O)[O-] 337539 342934500 /nfs/dbraw/zinc/93/45/00/342934500.db2.gz KLGQWSOYKYFBTR-UHFFFAOYSA-N 0 0 166.136 0.694 50 5 in-vitro ACBARN Cc1n[nH]c(-n2cccn2)c1[N+](=O)[O-] 370579 342935208 /nfs/dbraw/zinc/93/52/08/342935208.db2.gz HLNJDVSYQOXJBP-UHFFFAOYSA-N 0 0 193.166 0.812 50 5 ACBARN Cc1cc2ncc([N+](=O)[O-])cn2n1 370719 342935308 /nfs/dbraw/zinc/93/53/08/342935308.db2.gz ISYFTACZOMWTCK-UHFFFAOYSA-N 0 0 178.151 0.946 50 5 in-vitro ACBARN C[N+](C)(C)CCCC(=O)[O-] 395560 342937563 /nfs/dbraw/zinc/93/75/63/342937563.db2.gz JHPNVNIEXXLNTR-UHFFFAOYSA-O 0 0 146.210 0.557 50 5 endogenous,world ACBARN Cc1c([N+](=O)[O-])cnn1C 832307 342941724 /nfs/dbraw/zinc/94/17/24/342941724.db2.gz NYTRTJLAGHYGLE-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 ACBARN C[N+](C)(C)[O-] 895494 342941764 /nfs/dbraw/zinc/94/17/64/342941764.db2.gz UYPYRKYUKCHHIB-UHFFFAOYSA-N 0 0 75.111 0.190 50 5 endogenous,world ACBARN CCC1([N+](=O)[O-])COCOC1 1075283 342943257 /nfs/dbraw/zinc/94/32/57/342943257.db2.gz FAOVCMFVLDHRNJ-UHFFFAOYSA-N 0 0 161.157 0.416 50 5 ACBARN NC(=O)c1ccc([N+](=O)[O-])s1 1042738 342943309 /nfs/dbraw/zinc/94/33/09/342943309.db2.gz KOSBXZHFWKTMLO-UHFFFAOYSA-N 0 0 172.165 0.755 50 5 ACBARN O=[N+]([O-])c1cc(CO)cc(CO)c1 1081091 342943573 /nfs/dbraw/zinc/94/35/73/342943573.db2.gz FTLFITNFXXERLN-UHFFFAOYSA-N 0 0 183.163 0.579 50 5 ACBARN CNC(=C[N+](=O)[O-])SC 1385210 342944662 /nfs/dbraw/zinc/94/46/62/342944662.db2.gz YQFHPXZGXNYYLD-ARJAWSKDSA-N 0 0 148.187 0.644 50 5 in-vitro ACBARN Cc1noc(C=O)c1[N+](=O)[O-] 1397890 342944946 /nfs/dbraw/zinc/94/49/46/342944946.db2.gz YJJTVDSFUIQXPS-UHFFFAOYSA-N 0 0 156.097 0.704 50 5 ACBARN CC[C@@H](Cn1ccnc1)[N+](=O)[O-] 1422558 342945340 /nfs/dbraw/zinc/94/53/40/342945340.db2.gz ZGTKXSKRMXWGPW-ZETCQYMHSA-N 0 0 169.184 0.938 50 5 ACBARN Cc1[nH]cnc1[N+](=O)[O-] 1583149 342949210 /nfs/dbraw/zinc/94/92/10/342949210.db2.gz WSYOWIMKNNMEMZ-UHFFFAOYSA-N 0 0 127.103 0.626 50 5 ACBARN CNC(=O)c1ccc([N+](=O)[O-])cc1 1599498 342950705 /nfs/dbraw/zinc/95/07/05/342950705.db2.gz UZWAQQSVGQEZRY-UHFFFAOYSA-N 0 0 180.163 0.954 50 5 in-vitro ACBARN O=[N+]([O-])CCCC[N+](=O)[O-] 1598700 342950858 /nfs/dbraw/zinc/95/08/58/342950858.db2.gz KWFGJLCFMKVZLQ-UHFFFAOYSA-N 0 0 148.118 0.320 50 5 ACBARN CC(=O)OC(C)(C)C[N+](=O)[O-] 1615963 342952169 /nfs/dbraw/zinc/95/21/69/342952169.db2.gz XSTGTOOLWVOPGJ-UHFFFAOYSA-N 0 0 161.157 0.605 50 5 ACBARN Cc1c[n+]([O-])ccc1[N+](=O)[O-] 1620653 342952735 /nfs/dbraw/zinc/95/27/35/342952735.db2.gz SSOURMYKACOBIV-UHFFFAOYSA-N 0 0 154.125 0.537 50 5 in-vitro ACBARN Cc1cc([N+](=O)[O-])cc[n+]1[O-] 1641736 342953905 /nfs/dbraw/zinc/95/39/05/342953905.db2.gz FTTIAVRPJGCXAC-UHFFFAOYSA-N 0 0 154.125 0.537 50 5 in-vitro ACBARN CCn1cc([N+](=O)[O-])ccc1=O 1644941 342954175 /nfs/dbraw/zinc/95/41/75/342954175.db2.gz SLIBFQMZBMIHMS-UHFFFAOYSA-N 0 0 168.152 0.776 50 5 ACBARN CC[C@H](O)[C@@H](CC)[N+](=O)[O-] 1666923 342955665 /nfs/dbraw/zinc/95/56/65/342955665.db2.gz XIXNQTGGBNDDMJ-RITPCOANSA-N 0 0 147.174 0.813 50 5 ACBARN CC[C@H](O)[C@H](CC)[N+](=O)[O-] 1666922 342955546 /nfs/dbraw/zinc/95/55/46/342955546.db2.gz XIXNQTGGBNDDMJ-WDSKDSINSA-N 0 0 147.174 0.813 50 5 ACBARN Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-] 1691450 342958941 /nfs/dbraw/zinc/95/89/41/342958941.db2.gz VLKVMXPKEDVNBO-UHFFFAOYSA-N 0 0 168.152 0.845 50 5 in-vitro ACBARN Cc1nc2c([N+](=O)[O-])cccn2n1 1705755 342960563 /nfs/dbraw/zinc/96/05/63/342960563.db2.gz JVOCGGDLXGZLSE-UHFFFAOYSA-N 0 0 178.151 0.946 50 5 ACBARN Cc1nnc2c([N+](=O)[O-])cccn12 1705758 342960662 /nfs/dbraw/zinc/96/06/62/342960662.db2.gz DLPGXJBTSGCREP-UHFFFAOYSA-N 0 0 178.151 0.946 50 5 ACBARN CC[C@H](O)C[N+](=O)[O-] 1758996 342964116 /nfs/dbraw/zinc/96/41/16/342964116.db2.gz FMEFHKJRIGHSLB-BYPYZUCNSA-N 0 0 119.120 0.034 50 5 ACBARN C[C@H](O)[C@@H](C)[N+](=O)[O-] 1759001 342964233 /nfs/dbraw/zinc/96/42/33/342964233.db2.gz OJVOGABFNZDOOZ-DMTCNVIQSA-N 0 0 119.120 0.032 50 5 in-vitro ACBARN C[C@H](O)[C@H](C)[N+](=O)[O-] 1758999 342964260 /nfs/dbraw/zinc/96/42/60/342964260.db2.gz OJVOGABFNZDOOZ-IMJSIDKUSA-N 0 0 119.120 0.032 50 5 in-vitro ACBARN Cc1ncc([N+](=O)[O-])n1C[C@H](C)O 1843047 342964650 /nfs/dbraw/zinc/96/46/50/342964650.db2.gz KPQZUUQMTUIKBP-YFKPBYRVSA-N 0 0 185.183 0.481 50 5 fda ACBARN CCc1c[n+]([O-])ccc1[N+](=O)[O-] 2023610 342967240 /nfs/dbraw/zinc/96/72/40/342967240.db2.gz DFWFKLVRAXNFAN-UHFFFAOYSA-N 0 0 168.152 0.791 50 5 in-vitro ACBARN CC[C@H](CO)[N+](=O)[O-] 2034446 342968020 /nfs/dbraw/zinc/96/80/20/342968020.db2.gz MHIHRIPETCJEMQ-SCSAIBSYSA-N 0 0 119.120 0.034 50 5 ACBARN CC[C@@H](O)C[N+](=O)[O-] 2042095 342969021 /nfs/dbraw/zinc/96/90/21/342969021.db2.gz FMEFHKJRIGHSLB-SCSAIBSYSA-N 0 0 119.120 0.034 50 5 ACBARN CC[C@H](O)C(C)(C)[N+](=O)[O-] 2042091 342969116 /nfs/dbraw/zinc/96/91/16/342969116.db2.gz XGIVOZBEDLLCCO-YFKPBYRVSA-N 0 0 147.174 0.813 50 5 ACBARN CC[C@H](COC(C)=O)[N+](=O)[O-] 2173691 342970900 /nfs/dbraw/zinc/97/09/00/342970900.db2.gz RLBLQZQADXRYKU-ZCFIWIBFSA-N 0 0 161.157 0.605 50 5 ACBARN O=[N+]([O-])OCc1ccc([N+](=O)[O-])o1 2506785 342972865 /nfs/dbraw/zinc/97/28/65/342972865.db2.gz IZUDEUAXDJRXOA-UHFFFAOYSA-N 0 0 188.095 0.896 50 5 ACBARN Cc1nn(CO)c(C)c1[N+](=O)[O-] 2571663 342978043 /nfs/dbraw/zinc/97/80/43/342978043.db2.gz FNQSANZKSFZCNK-UHFFFAOYSA-N 0 0 171.156 0.358 50 5 ACBARN Cc1nn([C@@H](C)C(N)=O)cc1[N+](=O)[O-] 2799141 342979831 /nfs/dbraw/zinc/97/98/31/342979831.db2.gz OICWNCJYYKVNRZ-YFKPBYRVSA-N 0 0 198.182 0.146 50 5 ACBARN Cc1nn([C@H](C)C(N)=O)cc1[N+](=O)[O-] 2799142 342980047 /nfs/dbraw/zinc/98/00/47/342980047.db2.gz OICWNCJYYKVNRZ-RXMQYKEDSA-N 0 0 198.182 0.146 50 5 ACBARN Cc1cc([N+](=O)[O-])cn(C)c1=O 3122244 342980540 /nfs/dbraw/zinc/98/05/40/342980540.db2.gz QMSGHJNATYWTIA-UHFFFAOYSA-N 0 0 168.152 0.602 50 5 ACBARN CN(C)C(=O)c1ccc([N+](=O)[O-])o1 3252568 342982055 /nfs/dbraw/zinc/98/20/55/342982055.db2.gz AVZFLMSJRBHMDP-UHFFFAOYSA-N 0 0 184.151 0.890 50 5 ACBARN C[C@](Br)(CO)[N+](=O)[O-] 3630844 342982939 /nfs/dbraw/zinc/98/29/39/342982939.db2.gz NYWJACXVDUOPFY-GSVOUGTGSA-N 0 0 183.989 0.367 50 5 in-man ACBARN Cc1n[nH]c(-n2ccnc2)c1[N+](=O)[O-] 3832825 342984643 /nfs/dbraw/zinc/98/46/43/342984643.db2.gz QWDFKBAHUKCFLW-UHFFFAOYSA-N 0 0 193.166 0.812 50 5 ACBARN Cc1cc([N+](=O)[O-])nn1CO 4290892 342990040 /nfs/dbraw/zinc/99/00/40/342990040.db2.gz TUOHZCIAVPSMBB-UHFFFAOYSA-N 0 0 157.129 0.050 50 5 in-vitro ACBARN Cc1[nH][nH]c2c([N+](=O)[O-])nnc1-2 4067459 342986923 /nfs/dbraw/zinc/98/69/23/342986923.db2.gz FATXSDBSNLTNLJ-UHFFFAOYSA-N 0 0 167.128 0.503 50 5 ACBARN CN(C)c1c([N+](=O)[O-])ncn1C 4125305 342987612 /nfs/dbraw/zinc/98/76/12/342987612.db2.gz XLEJYIZWEHJNGD-UHFFFAOYSA-N 0 0 170.172 0.394 50 5 ACBARN Cc1nc(Cl)nc(N)c1[N+](=O)[O-] 4243438 342989256 /nfs/dbraw/zinc/98/92/56/342989256.db2.gz ZBYYVBFAHVINCE-UHFFFAOYSA-N 0 0 188.574 0.929 50 5 in-vitro ACBARN Cc1cc(C)c([N+](=O)[O-])c(=O)[nH]1 4342603 342990923 /nfs/dbraw/zinc/99/09/23/342990923.db2.gz NACUUHJKIYEVFA-UHFFFAOYSA-N 0 0 168.152 0.900 50 5 in-vitro ACBARN CN(C)c1[nH]cnc1[N+](=O)[O-] 4468972 342991728 /nfs/dbraw/zinc/99/17/28/342991728.db2.gz MKHGGNYLDNUTSB-UHFFFAOYSA-N 0 0 156.145 0.384 50 5 ACBARN Cc1nn([N+](=O)[O-])c(C)c1[N+](=O)[O-] 4595775 342993257 /nfs/dbraw/zinc/99/32/57/342993257.db2.gz DRXKKNVNPOCXES-UHFFFAOYSA-N 0 0 186.127 0.448 50 5 ACBARN Cc1c(N)cc(C(N)=O)cc1[N+](=O)[O-] 4708871 342994295 /nfs/dbraw/zinc/99/42/95/342994295.db2.gz OEUCDBZNALWCBU-UHFFFAOYSA-N 0 0 195.178 0.584 50 5 ACBARN Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1C 4728749 342994423 /nfs/dbraw/zinc/99/44/23/342994423.db2.gz OPCCXVZQEQAIDR-UHFFFAOYSA-N 0 0 186.127 0.545 50 5 ACBARN Cc1n[nH]c(-n2cncn2)c1[N+](=O)[O-] 4730287 342994490 /nfs/dbraw/zinc/99/44/90/342994490.db2.gz VHRQXEWPDXNPIX-UHFFFAOYSA-N 0 0 194.154 0.207 50 5 ACBARN Cc1cc([N+](=O)[O-])nn1[N+](=O)[O-] 4812701 342996223 /nfs/dbraw/zinc/99/62/23/342996223.db2.gz QWFVDVXUBOTHSN-UHFFFAOYSA-N 0 0 172.100 0.140 50 5 ACBARN Cc1nc([N+](=O)[O-])c(SN)[nH]1 4995103 342997881 /nfs/dbraw/zinc/99/78/81/342997881.db2.gz DRRCXSGXXLPWCW-UHFFFAOYSA-N 0 0 174.185 0.592 50 5 ACBARN CC(C)[N+](=O)[O-] 5167659 342999571 /nfs/dbraw/zinc/99/95/71/342999571.db2.gz FGLBSLMDCBOPQK-UHFFFAOYSA-N 0 0 89.094 0.672 50 5 in-vitro ACBARN CN(N)c1ncccc1[N+](=O)[O-] 5208459 342999997 /nfs/dbraw/zinc/99/99/97/342999997.db2.gz YUPKCYOYHLBERF-UHFFFAOYSA-N 0 0 168.156 0.300 50 5 in-vitro ACBARN Cc1[nH]nc([N+](=O)[O-])c1[N+](=O)[O-] 5296576 343000750 /nfs/dbraw/zinc/00/07/50/343000750.db2.gz AXIFLJXPRZLOFM-UHFFFAOYSA-N 0 0 172.100 0.535 50 5 ACBARN CNC(=O)c1ccc([N+](=O)[O-])o1 5510464 343004140 /nfs/dbraw/zinc/00/41/40/343004140.db2.gz RQQDULHMVLKACK-UHFFFAOYSA-N 0 0 170.124 0.547 50 5 ACBARN CNC(=O)c1ccccc1[N+](=O)[O-] 5510471 343004146 /nfs/dbraw/zinc/00/41/46/343004146.db2.gz VHOZXKCOAPJVFY-UHFFFAOYSA-N 0 0 180.163 0.954 50 5 in-vitro ACBARN CNC(=O)Cc1ccc([N+](=O)[O-])cc1 5668856 343006334 /nfs/dbraw/zinc/00/63/34/343006334.db2.gz VTINDJIPKUJXNT-UHFFFAOYSA-N 0 0 194.190 0.883 50 5 in-vitro ACBARN Cc1c[n+]([O-])c(C)cc1[N+](=O)[O-] 6069791 343012393 /nfs/dbraw/zinc/01/23/93/343012393.db2.gz GVGSFHVUBRWBJT-UHFFFAOYSA-N 0 0 168.152 0.845 50 5 ACBARN CNC(=O)Nc1[nH]cnc1[N+](=O)[O-] 6187427 343012953 /nfs/dbraw/zinc/01/29/53/343012953.db2.gz ULSLUOXMWFJOCN-UHFFFAOYSA-N 0 0 185.143 0.069 50 5 ACBARN Cc1nc(NN)ccc1[N+](=O)[O-] 6235735 343012963 /nfs/dbraw/zinc/01/29/63/343012963.db2.gz SLPQJEVYFLMMCZ-UHFFFAOYSA-N 0 0 168.156 0.584 50 5 ACBARN Cc1[nH]nc(NCCO)c1[N+](=O)[O-] 6300101 343013655 /nfs/dbraw/zinc/01/36/55/343013655.db2.gz JYLRGSILCSWRSY-UHFFFAOYSA-N 0 0 186.171 0.031 50 5 ACBARN Cc1cc([N+](=O)[O-])cnc1NN 6255610 343013665 /nfs/dbraw/zinc/01/36/65/343013665.db2.gz CSHKMLIZQJQZBQ-UHFFFAOYSA-N 0 0 168.156 0.584 50 5 in-vitro ACBARN Cc1cc([N+](=O)[O-])c[nH]c1=O 8615863 343018989 /nfs/dbraw/zinc/01/89/89/343018989.db2.gz FPTYZBDNBMVYCL-UHFFFAOYSA-N 0 0 154.125 0.592 50 5 in-vitro ACBARN Cc1cc(=O)[nH]cc1[N+](=O)[O-] 8698095 343019356 /nfs/dbraw/zinc/01/93/56/343019356.db2.gz AIEHUZHKFUNHCJ-UHFFFAOYSA-N 0 0 154.125 0.592 50 5 in-vitro ACBARN Cc1cc[nH]c(=O)c1[N+](=O)[O-] 8698081 343019381 /nfs/dbraw/zinc/01/93/81/343019381.db2.gz HZCWTTHQRMHIIE-UHFFFAOYSA-N 0 0 154.125 0.592 50 5 in-vitro ACBARN Cc1ccc([N+](=O)[O-])c(=O)[nH]1 8672873 343019577 /nfs/dbraw/zinc/01/95/77/343019577.db2.gz YVYDGIGILRUPED-UHFFFAOYSA-N 0 0 154.125 0.592 50 5 in-vitro ACBARN Cc1[nH]c(=O)ccc1[N+](=O)[O-] 8698096 343019605 /nfs/dbraw/zinc/01/96/05/343019605.db2.gz AJDDHNXZBGZBJN-UHFFFAOYSA-N 0 0 154.125 0.592 50 5 in-vitro ACBARN CC[N+](=O)[O-] 8637290 343019630 /nfs/dbraw/zinc/01/96/30/343019630.db2.gz MCSAJNNLRCFZED-UHFFFAOYSA-N 0 0 75.067 0.283 50 5 in-vitro ACBARN Cc1cc([N+](=O)[O-])nn1CCCO 12357733 343028617 /nfs/dbraw/zinc/02/86/17/343028617.db2.gz XIOXNZFOKSQAEF-UHFFFAOYSA-N 0 0 185.183 0.482 50 5 ACBARN Cc1cc([N+](=O)[O-])nn1CCO 12357742 343028780 /nfs/dbraw/zinc/02/87/80/343028780.db2.gz SFOZXZKTONHBQJ-UHFFFAOYSA-N 0 0 171.156 0.092 50 5 ACBARN CCn1cc([N+](=O)[O-])cn1 12395839 343029809 /nfs/dbraw/zinc/02/98/09/343029809.db2.gz LQPXKEBIYOXPKM-UHFFFAOYSA-N 0 0 141.130 0.811 50 5 in-vitro ACBARN Cc1n[nH]cc1-n1cc([N+](=O)[O-])cn1 12396162 343030009 /nfs/dbraw/zinc/03/00/09/343030009.db2.gz ZLOLAKCUVVYWCY-UHFFFAOYSA-N 0 0 193.166 0.812 50 5 ACBARN Cc1nc(N)c([N+](=O)[O-])n1C 12397670 343030117 /nfs/dbraw/zinc/03/01/17/343030117.db2.gz MDFROIFVAUIFEP-UHFFFAOYSA-N 0 0 156.145 0.219 50 5 ACBARN Cc1c([N+](=O)[O-])ncn1C 13209612 343033577 /nfs/dbraw/zinc/03/35/77/343033577.db2.gz ULEIQLOXYAULFE-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 in-vitro ACBARN Cc1nccc(N)c1[N+](=O)[O-] 15684494 343042453 /nfs/dbraw/zinc/04/24/53/343042453.db2.gz PWMOQGXCXFHJMF-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN Cc1c[n+]([O-])cc(F)c1[N+](=O)[O-] 15684437 343042576 /nfs/dbraw/zinc/04/25/76/343042576.db2.gz ZQGANXDYXDMUFR-UHFFFAOYSA-N 0 0 172.115 0.676 50 5 in-vitro ACBARN Cc1cc([N+](=O)[O-])c2nncn2c1 16123702 343043243 /nfs/dbraw/zinc/04/32/43/343043243.db2.gz XNJFZJNTYXYHCP-UHFFFAOYSA-N 0 0 178.151 0.946 50 5 in-vitro ACBARN Cc1nc(N)c([N+](=O)[O-])c(Cl)n1 16806787 343044752 /nfs/dbraw/zinc/04/47/52/343044752.db2.gz ASFSVYKJXFDPIS-UHFFFAOYSA-N 0 0 188.574 0.929 50 5 ACBARN Cc1cc([N+](=O)[O-])cnc1N 19015185 343049467 /nfs/dbraw/zinc/04/94/67/343049467.db2.gz JLPYUDJJBGYXEZ-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN Cc1cc(N)ncc1[N+](=O)[O-] 19118397 343051613 /nfs/dbraw/zinc/05/16/13/343051613.db2.gz GRBBNZYMXKTQAI-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 ACBARN Cc1nc(N)c([N+](=O)[O-])cc1[N+](=O)[O-] 19802575 343060664 /nfs/dbraw/zinc/06/06/64/343060664.db2.gz KWYALJWSYDOZON-UHFFFAOYSA-N 0 0 198.138 0.789 50 5 in-vitro ACBARN Cc1nc(N)ccc1[N+](=O)[O-] 19798353 343060855 /nfs/dbraw/zinc/06/08/55/343060855.db2.gz BGMZTBKXOFFTBJ-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN Cc1nc(CO)ccc1[N+](=O)[O-] 19873003 343062366 /nfs/dbraw/zinc/06/23/66/343062366.db2.gz YVGKDKNNONDERG-UHFFFAOYSA-N 0 0 168.152 0.791 50 5 in-vitro ACBARN CN(CCO)c1ccc([N+](=O)[O-])cn1 19926328 343064710 /nfs/dbraw/zinc/06/47/10/343064710.db2.gz JMCDFZGHBZLEAP-UHFFFAOYSA-N 0 0 197.194 0.418 50 5 in-vitro ACBARN CCc1n[nH]cc1[N+](=O)[O-] 26254148 343087347 /nfs/dbraw/zinc/08/73/47/343087347.db2.gz IZKKZGVEYKHLBN-UHFFFAOYSA-N 0 0 141.130 0.880 50 5 ACBARN NC(=O)c1cncc([N+](=O)[O-])c1 28770466 343092429 /nfs/dbraw/zinc/09/24/29/343092429.db2.gz NRIRFQSGTYJBCX-UHFFFAOYSA-N 0 0 167.124 0.089 50 5 ACBARN Cc1c(N)cc([N+](=O)[O-])cc1C(N)=O 31623133 343093584 /nfs/dbraw/zinc/09/35/84/343093584.db2.gz RBLRQBGOUCRKRT-UHFFFAOYSA-N 0 0 195.178 0.584 50 5 in-vitro ACBARN CC(Cl)([N+](=O)[O-])[N+](=O)[O-] 31622917 343093857 /nfs/dbraw/zinc/09/38/57/343093857.db2.gz WCEVKBJRFBEDHR-UHFFFAOYSA-N 0 0 154.509 0.452 50 5 ACBARN Cc1cc(=O)c([N+](=O)[O-])c(C)[nH]1 32214405 343101012 /nfs/dbraw/zinc/10/10/12/343101012.db2.gz PKAUZTQOCSCVLK-UHFFFAOYSA-N 0 0 168.152 0.900 50 5 in-vitro ACBARN COC(=O)c1c([N+](=O)[O-])ncn1C 32222679 343101442 /nfs/dbraw/zinc/10/14/42/343101442.db2.gz GMPRHTFNNVPEQS-UHFFFAOYSA-N 0 0 185.139 0.115 50 5 ACBARN Cc1ccc([N+](=O)[O-])c(=NN)[nH]1 34100875 343110517 /nfs/dbraw/zinc/11/05/17/343110517.db2.gz OSIVZMJNWFJJPP-UHFFFAOYSA-N 0 0 168.156 0.584 50 5 ACBARN Nc1cccc([N+](=O)[O-])c1C=O 34497092 343120309 /nfs/dbraw/zinc/12/03/09/343120309.db2.gz HACOHMHYAQXUOL-UHFFFAOYSA-N 0 0 166.136 0.990 50 5 in-vitro ACBARN CCn1nc(N)c([N+](=O)[O-])c1C 34928926 343126106 /nfs/dbraw/zinc/12/61/06/343126106.db2.gz DXIVHKLPFKSHBB-UHFFFAOYSA-N 0 0 170.172 0.702 50 5 in-vitro ACBARN Cc1cnc(N)cc1[N+](=O)[O-] 35569810 343133374 /nfs/dbraw/zinc/13/33/74/343133374.db2.gz KLZIMKRFVMVENM-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 ACBARN CCn1cc([N+](=O)[O-])c(C(=O)NC)n1 38538260 343189111 /nfs/dbraw/zinc/18/91/11/343189111.db2.gz OJZYTWZCOUFROX-UHFFFAOYSA-N 0 0 198.182 0.171 50 5 ACBARN NC(=O)c1c(F)cccc1[N+](=O)[O-] 38810453 343191081 /nfs/dbraw/zinc/19/10/81/343191081.db2.gz FLYBIMSVHDXMGP-UHFFFAOYSA-N 0 0 184.126 0.833 50 5 ACBARN Cc1cc(C(N)=O)ncc1[N+](=O)[O-] 39221669 343206594 /nfs/dbraw/zinc/20/65/94/343206594.db2.gz MPBIFKVVEZHLCL-UHFFFAOYSA-N 0 0 181.151 0.397 50 5 ACBARN Cc1c([N+](=O)[O-])ccc[n+]1[O-] 39256117 343208867 /nfs/dbraw/zinc/20/88/67/343208867.db2.gz ZLBUTYITPACULR-UHFFFAOYSA-N 0 0 154.125 0.537 50 5 ACBARN CN(C)c1ccc([N+](=O)[O-])c(N)n1 39366332 343211144 /nfs/dbraw/zinc/21/11/44/343211144.db2.gz WUJURJMOTUVUML-UHFFFAOYSA-N 0 0 182.183 0.638 50 5 ACBARN Cc1nc(O)cc(O)c1[N+](=O)[O-] 39402288 343211932 /nfs/dbraw/zinc/21/19/32/343211932.db2.gz CIUJVYFTEYYUBS-UHFFFAOYSA-N 0 0 170.124 0.709 50 5 in-vitro ACBARN CNc1c[n+]([O-])ccc1[N+](=O)[O-] 39392549 343212021 /nfs/dbraw/zinc/21/20/21/343212021.db2.gz VNWOSMGBBSJONM-UHFFFAOYSA-N 0 0 169.140 0.270 50 5 ACBARN Cc1cncc([N+](=O)[O-])c1N 40448438 343218439 /nfs/dbraw/zinc/21/84/39/343218439.db2.gz BFOWXBARPYDGQE-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN CC([C@@H](O)C(F)F)[N+](=O)[O-] 47844263 343273117 /nfs/dbraw/zinc/27/31/17/343273117.db2.gz BJDXAXMDSACXOY-PWNYCUMCSA-N 0 0 155.100 0.278 50 5 ACBARN Cc1ncc([N+](=O)[O-])cc1N 71245226 343551436 /nfs/dbraw/zinc/55/14/36/343551436.db2.gz BIGJOIAURNWIEW-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 in-vitro ACBARN Cc1[nH]ccc(=O)c1[N+](=O)[O-] 71255702 343551525 /nfs/dbraw/zinc/55/15/25/343551525.db2.gz SJIBWWCVKBIGAJ-UHFFFAOYSA-N 0 0 154.125 0.592 50 5 ACBARN Cc1c([N+](=O)[O-])ccc(=O)n1C 71526668 343556416 /nfs/dbraw/zinc/55/64/16/343556416.db2.gz FAQUMHSTXDBJPQ-UHFFFAOYSA-N 0 0 168.152 0.602 50 5 ACBARN CC[C@@](C)(CO)[N+](=O)[O-] 71773642 343557443 /nfs/dbraw/zinc/55/74/43/343557443.db2.gz SEAMRWZKMYUKOI-YFKPBYRVSA-N 0 0 133.147 0.424 50 5 ACBARN CC1([N+](=O)[O-])CSC1 72194304 343560760 /nfs/dbraw/zinc/56/07/60/343560760.db2.gz RSGMGMVQGDWQIX-UHFFFAOYSA-N 0 0 133.172 0.769 50 5 ACBARN Cc1cn(C)nc1[N+](=O)[O-] 72209656 343562927 /nfs/dbraw/zinc/56/29/27/343562927.db2.gz PCDSBHWKDOKENY-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 ACBARN CC(C)n1nc([N+](=O)[O-])cc1CO 72209455 343563138 /nfs/dbraw/zinc/56/31/38/343563138.db2.gz DCBRVIWTJDIVNQ-UHFFFAOYSA-N 0 0 185.183 0.865 50 5 ACBARN CCn1ncc([N+](=O)[O-])c1C(=O)OC 72233298 343567400 /nfs/dbraw/zinc/56/74/00/343567400.db2.gz BGIFTQTZYMZQPN-UHFFFAOYSA-N 0 0 199.166 0.598 50 5 in-vitro ACBARN Cc1c[nH]c(=O)cc1[N+](=O)[O-] 82048579 343595130 /nfs/dbraw/zinc/59/51/30/343595130.db2.gz KWBBCOFFLKQDJQ-UHFFFAOYSA-N 0 0 154.125 0.592 50 5 ACBARN Cc1nc(N)c(N)cc1[N+](=O)[O-] 85562311 343645217 /nfs/dbraw/zinc/64/52/17/343645217.db2.gz JMGFXLGFIQDUTK-UHFFFAOYSA-N 0 0 168.156 0.463 50 5 in-vitro ACBARN Cc1nn(C)c(F)c1[N+](=O)[O-] 95098448 343681956 /nfs/dbraw/zinc/68/19/56/343681956.db2.gz CLNNWHWAQYCCFH-UHFFFAOYSA-N 0 0 159.120 0.776 50 5 ACBARN CNC(=O)c1ccc([N+](=O)[O-])cn1 95495962 343683860 /nfs/dbraw/zinc/68/38/60/343683860.db2.gz ZZKZLRHPTKBJRR-UHFFFAOYSA-N 0 0 181.151 0.349 50 5 ACBARN Cc1cc([N+](=O)[O-])cn2cnnc12 95496146 343683921 /nfs/dbraw/zinc/68/39/21/343683921.db2.gz MBINANOZUXJXOQ-UHFFFAOYSA-N 0 0 178.151 0.946 50 5 ACBARN Cc1nc(CC(N)=O)ccc1[N+](=O)[O-] 95931487 343690568 /nfs/dbraw/zinc/69/05/68/343690568.db2.gz RTITZRVNDJYGML-UHFFFAOYSA-N 0 0 195.178 0.326 50 5 ACBARN Cc1nnc2ccc([N+](=O)[O-])cn12 95932458 343691179 /nfs/dbraw/zinc/69/11/79/343691179.db2.gz XQIZRSFAUCUKGO-UHFFFAOYSA-N 0 0 178.151 0.946 50 5 ACBARN Cc1c([N+](=O)[O-])cnn1CCO 96029583 343693258 /nfs/dbraw/zinc/69/32/58/343693258.db2.gz PGDDDJHGRPWKOC-UHFFFAOYSA-N 0 0 171.156 0.092 50 5 ACBARN Cc1nn(CCO)cc1[N+](=O)[O-] 96029582 343693328 /nfs/dbraw/zinc/69/33/28/343693328.db2.gz VBABQHZPBDGXIX-UHFFFAOYSA-N 0 0 171.156 0.092 50 5 ACBARN Cc1c([N+](=O)[O-])n[nH]c1[N+](=O)[O-] 100804572 343720547 /nfs/dbraw/zinc/72/05/47/343720547.db2.gz KJTRRSGZDBAWLP-UHFFFAOYSA-N 0 0 172.100 0.535 50 5 ACBARN Cc1[nH]n2ccnc2c1[N+](=O)[O-] 103941696 343728160 /nfs/dbraw/zinc/72/81/60/343728160.db2.gz GUNHCMNEKZKWJJ-UHFFFAOYSA-N 0 0 166.140 0.879 50 5 ACBARN CNC(=O)c1ncccc1[N+](=O)[O-] 104464009 343731868 /nfs/dbraw/zinc/73/18/68/343731868.db2.gz VOPVQAGSCAREAA-UHFFFAOYSA-N 0 0 181.151 0.349 50 5 ACBARN NC(=O)/C=C\c1ccc([N+](=O)[O-])o1 111327303 343754331 /nfs/dbraw/zinc/75/43/31/343754331.db2.gz IZFMIIGMIPRYKL-IWQZZHSRSA-N 0 0 182.135 0.686 50 5 in-vitro ACBARN COc1c(C(N)=O)cccc1[N+](=O)[O-] 125085827 343789068 /nfs/dbraw/zinc/78/90/68/343789068.db2.gz VGIYIBRECHOFLC-UHFFFAOYSA-N 0 0 196.162 0.702 50 5 ACBARN Cc1ccnc([N+](=O)[O-])c1N 139607567 343995349 /nfs/dbraw/zinc/99/53/49/343995349.db2.gz COULVCTZXWUPAG-UHFFFAOYSA-N 0 0 153.141 0.880 50 5 ACBARN O=[N+]([O-])c1cnc(F)nc1F 141297461 344004667 /nfs/dbraw/zinc/00/46/67/344004667.db2.gz GIBOHPZCGYRPBS-UHFFFAOYSA-N 0 0 161.067 0.663 50 5 ACBARN CN1CCc2cc([N+](=O)[O-])cnc2C1 142439397 344012441 /nfs/dbraw/zinc/01/24/41/344012441.db2.gz AAHNYSPPMXLRLD-UHFFFAOYSA-N 0 0 193.206 0.978 50 5 ACBARN CC(C)(CO)n1cnc([N+](=O)[O-])c1 142783004 344014867 /nfs/dbraw/zinc/01/48/67/344014867.db2.gz YYZFVYWKCCAZTP-UHFFFAOYSA-N 0 0 185.183 0.519 50 5 ACBARN CNC(=O)Cc1cccc([N+](=O)[O-])c1 144018413 344023964 /nfs/dbraw/zinc/02/39/64/344023964.db2.gz AOZUATNZXGQECR-UHFFFAOYSA-N 0 0 194.190 0.883 50 5 ACBARN O=c1ccnc2ccc([N+](=O)[O-])cn12 144547872 344027750 /nfs/dbraw/zinc/02/77/50/344027750.db2.gz UKEOGGMUOLVIJZ-UHFFFAOYSA-N 0 0 191.146 0.603 50 5 in-vitro ACBARN O=[N+]([O-])c1cc(CO)ccn1 145362320 344033064 /nfs/dbraw/zinc/03/30/64/344033064.db2.gz OZNLMOGNILYAQR-UHFFFAOYSA-N 0 0 154.125 0.482 50 5 ACBARN O=[N+]([O-])c1c(F)ncnc1F 164960173 344255668 /nfs/dbraw/zinc/25/56/68/344255668.db2.gz IVFJDFBMPCPALG-UHFFFAOYSA-N 0 0 161.067 0.663 50 5 in-vitro ACBARN CC(C)(C#N)C[N+](=O)[O-] 165529615 344265683 /nfs/dbraw/zinc/26/56/83/344265683.db2.gz BFVYOMJBPKPNJX-UHFFFAOYSA-N 0 0 128.131 0.813 50 5 ACBARN Cc1[nH]c(=O)c(N)cc1[N+](=O)[O-] 168665445 344334405 /nfs/dbraw/zinc/33/44/05/344334405.db2.gz VSMMSWHSMCYZSD-UHFFFAOYSA-N 0 0 169.140 0.174 50 5 ACBARN COC(=O)Cc1ncccc1[N+](=O)[O-] 217649632 344404375 /nfs/dbraw/zinc/40/43/75/344404375.db2.gz ACNDZLQIDQZLAZ-UHFFFAOYSA-N 0 0 196.162 0.705 50 5 ACBARN O=[N+]([O-])c1cnn([C@H]2CCOC2)c1 219576962 344425721 /nfs/dbraw/zinc/42/57/21/344425721.db2.gz MVJNLXWEKHTMPZ-LURJTMIESA-N 0 0 183.167 0.753 50 5 ACBARN CCOC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 238269224 344798018 /nfs/dbraw/zinc/79/80/18/344798018.db2.gz XYGGYQYMJUQDKO-CRCLSJGQSA-N 0 0 159.141 0.215 50 5 ACBARN CCOC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 238267869 344798150 /nfs/dbraw/zinc/79/81/50/344798150.db2.gz XYGGYQYMJUQDKO-WHFBIAKZSA-N 0 0 159.141 0.215 50 5 ACBARN CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 238796459 344822345 /nfs/dbraw/zinc/82/23/45/344822345.db2.gz XYGGYQYMJUQDKO-RFZPGFLSSA-N 0 0 159.141 0.215 50 5 ACBARN CCOC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 238796318 344822434 /nfs/dbraw/zinc/82/24/34/344822434.db2.gz XYGGYQYMJUQDKO-UHNVWZDZSA-N 0 0 159.141 0.215 50 5 ACBARN CC1(C)NC(=O)CC[C@H]1[N+](=O)[O-] 253388064 344933844 /nfs/dbraw/zinc/93/38/44/344933844.db2.gz AZLHHLQGTTXWKD-RXMQYKEDSA-N 0 0 172.184 0.320 50 5 in-vitro ACBARN CC1(C)NC(=O)CC[C@@H]1[N+](=O)[O-] 253388065 344934139 /nfs/dbraw/zinc/93/41/39/344934139.db2.gz AZLHHLQGTTXWKD-YFKPBYRVSA-N 0 0 172.184 0.320 50 5 in-vitro ACBARN Nc1cc(F)cnc1[N+](=O)[O-] 307653408 346167279 /nfs/dbraw/zinc/16/72/79/346167279.db2.gz PNSLUFROAZSUSE-UHFFFAOYSA-N 0 0 157.104 0.711 50 5 ACBARN O=[N+]([O-])c1cnn(C2CC(O)C2)c1 584880238 346747173 /nfs/dbraw/zinc/74/71/73/346747173.db2.gz OHZKMNHMLVKOLQ-UHFFFAOYSA-N 0 0 183.167 0.487 50 5 ACBARN CCOC(=O)c1ncc([N+](=O)[O-])cn1 602993677 346949647 /nfs/dbraw/zinc/94/96/47/346949647.db2.gz AJIMLVFVRUXVEG-UHFFFAOYSA-N 0 0 197.150 0.562 50 5 ACBARN O=[N+]([O-])c1ccn(-c2ncccn2)n1 609450371 347018236 /nfs/dbraw/zinc/01/82/36/347018236.db2.gz HRXAQMSNTVTZHV-UHFFFAOYSA-N 0 0 191.150 0.571 50 5 ACBARN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1 90069 351269108 /nfs/dbraw/zinc/26/91/08/351269108.db2.gz ZJFFBXHGOXPKCP-UHFFFAOYSA-N 0 0 191.150 0.775 50 5 in-vitro ACBARN O=[N+]([O-])c1cnn2cccnc12 54931 351269338 /nfs/dbraw/zinc/26/93/38/351269338.db2.gz FDOREHMGSRCRRM-UHFFFAOYSA-N 0 0 164.124 0.638 50 5 in-vitro ACBARN O=[N+]([O-])C(CO)(CO)c1ccccc1 134523 351270489 /nfs/dbraw/zinc/27/04/89/351270489.db2.gz AJRYCRIQZBMNEO-UHFFFAOYSA-N 0 0 197.190 0.143 50 5 ACBARN O=[N+]([O-])c1ccccc1[C@@H](O)CO 161987 351272581 /nfs/dbraw/zinc/27/25/81/351272581.db2.gz AYVFQXVSRJXIDT-QMMMGPOBSA-N 0 0 183.163 0.621 50 5 ACBARN O=[N+]([O-])c1ccccc1[C@H](O)CO 161984 351272635 /nfs/dbraw/zinc/27/26/35/351272635.db2.gz AYVFQXVSRJXIDT-MRVPVSSYSA-N 0 0 183.163 0.621 50 5 ACBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 173832 351273763 /nfs/dbraw/zinc/27/37/63/351273763.db2.gz DLJZIPVEVJOKHB-UHFFFAOYSA-N 0 0 179.135 0.764 50 5 ACBARN O=[N+]([O-])c1ccc2[nH]c(CO)nc2c1 236854 351274144 /nfs/dbraw/zinc/27/41/44/351274144.db2.gz ZJLPIDVKNQXTKN-UHFFFAOYSA-N 0 0 193.162 0.963 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(-n2cnnn2)cc1 238757 351274273 /nfs/dbraw/zinc/27/42/73/351274273.db2.gz NHYHTYJIILODSA-UHFFFAOYSA-N 0 0 191.150 0.571 50 5 in-vitro ACBARN O=c1ccc([N+](=O)[O-])ccc1O 245210 351274384 /nfs/dbraw/zinc/27/43/84/351274384.db2.gz FDKIMQPNTGQYPT-UHFFFAOYSA-N 0 0 167.120 0.661 50 5 biogenic ACBARN O=[N+]([O-])c1ccncc1 332351 351275458 /nfs/dbraw/zinc/27/54/58/351275458.db2.gz FEXIEMAAKBNTFK-UHFFFAOYSA-N 0 0 124.099 0.990 50 5 in-vitro ACBARN O=[N+]([O-])c1ccccc1-n1cnnn1 499595 351280764 /nfs/dbraw/zinc/28/07/64/351280764.db2.gz MVKPWJIORBIWIG-UHFFFAOYSA-N 0 0 191.150 0.571 50 5 in-vitro ACBARN O=[N+]([O-])c1cccn2ncnc12 1385370 351285446 /nfs/dbraw/zinc/28/54/46/351285446.db2.gz HSZMJKACFDCOHQ-UHFFFAOYSA-N 0 0 164.124 0.638 50 5 ACBARN O=[N+]([O-])c1ccc([C@@H](O)CO)cc1 1459892 351286360 /nfs/dbraw/zinc/28/63/60/351286360.db2.gz YOJHBFHEOQUUAR-QMMMGPOBSA-N 0 0 183.163 0.621 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc[nH]1 1561742 351286977 /nfs/dbraw/zinc/28/69/77/351286977.db2.gz FTBBGQKRYUTLMP-UHFFFAOYSA-N 0 0 112.088 0.923 50 5 in-vitro ACBARN O=Cc1ncccc1[N+](=O)[O-] 1570360 351287630 /nfs/dbraw/zinc/28/76/30/351287630.db2.gz ZERYBWXKTKFOBF-UHFFFAOYSA-N 0 0 152.109 0.802 50 5 in-vitro ACBARN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1 1607036 351289967 /nfs/dbraw/zinc/28/99/67/351289967.db2.gz YSTCMHHKDOVZDA-UHFFFAOYSA-N 0 0 174.543 0.882 50 5 in-vitro ACBARN CC(C)(C[N+](=O)[O-])C[N+](=O)[O-] 1641083 351291324 /nfs/dbraw/zinc/29/13/24/351291324.db2.gz IHFMWDOLRBNYBN-UHFFFAOYSA-N 0 0 162.145 0.566 50 5 ACBARN O=[N+]([O-])c1cccc2no[n+]([O-])c12 1665949 351292452 /nfs/dbraw/zinc/29/24/52/351292452.db2.gz VSSMHRXDWQQPOK-UHFFFAOYSA-N 0 0 181.107 0.369 50 5 ACBARN O=Cc1ccc([N+](=O)[O-])[nH]1 1681946 351294211 /nfs/dbraw/zinc/29/42/11/351294211.db2.gz LVXNJVISYFBVQR-UHFFFAOYSA-N 0 0 140.098 0.735 50 5 ACBARN CC(C)(O)C[N+](=O)[O-] 1759002 351299421 /nfs/dbraw/zinc/29/94/21/351299421.db2.gz FOOMQHQMUGNBKK-UHFFFAOYSA-N 0 0 119.120 0.034 50 5 in-vitro ACBARN O=C1N=NC(c2ccc([N+](=O)[O-])o2)O1 2038879 351302426 /nfs/dbraw/zinc/30/24/26/351302426.db2.gz OWDANLZJJOCPBK-UHFFFAOYSA-N 0 0 197.106 0.943 50 5 ACBARN O=[N+]([O-])c1ccc([O-])cn1 2505875 351307021 /nfs/dbraw/zinc/30/70/21/351307021.db2.gz LJFLBSBHQDJFQT-UHFFFAOYSA-N 0 0 140.098 0.695 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(CO)c(CCO)c1 2513265 351307953 /nfs/dbraw/zinc/30/79/53/351307953.db2.gz SYBKBPXOVQYFFA-UHFFFAOYSA-N 0 0 197.190 0.622 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(OCCO)nc1 2510222 351308436 /nfs/dbraw/zinc/30/84/36/351308436.db2.gz KESQFSZFUCZCEI-UHFFFAOYSA-N 0 0 184.151 0.361 50 5 in-vitro ACBARN O=[N+]([O-])c1cc[n+]([O-])cc1F 2559899 351310936 /nfs/dbraw/zinc/31/09/36/351310936.db2.gz QHWIGULJOZAPAQ-UHFFFAOYSA-N 0 0 158.088 0.367 50 5 in-vitro ACBARN O=[N+]([O-])c1ccccc1OCCO 2570062 351312055 /nfs/dbraw/zinc/31/20/55/351312055.db2.gz LGCYTDJJYLJYOB-UHFFFAOYSA-N 0 0 183.163 0.966 50 5 ACBARN O=c1[nH]ccc(Cl)c1[N+](=O)[O-] 2598111 351314041 /nfs/dbraw/zinc/31/40/41/351314041.db2.gz UKIZCTHOMJXNIX-UHFFFAOYSA-N 0 0 174.543 0.937 50 5 in-vitro ACBARN C[C@@](Br)(CO)[N+](=O)[O-] 3630843 351318042 /nfs/dbraw/zinc/31/80/42/351318042.db2.gz NYWJACXVDUOPFY-VKHMYHEASA-N 0 0 183.989 0.367 50 5 in-man ACBARN O=[N+]([O-])c1ccc(-n2cncn2)nc1 4039783 351323689 /nfs/dbraw/zinc/32/36/89/351323689.db2.gz KLPMHDZRVHSKFI-UHFFFAOYSA-N 0 0 191.150 0.571 50 5 ACBARN Nc1cccnc1[N+](=O)[O-] 4085943 351324699 /nfs/dbraw/zinc/32/46/99/351324699.db2.gz GZBKVUGZEAJYHH-UHFFFAOYSA-N 0 0 139.114 0.572 50 5 in-vitro ACBARN Cc1nc(N)sc1[N+](=O)[O-] 4085887 351324793 /nfs/dbraw/zinc/32/47/93/351324793.db2.gz NDWBXTNRCBNGAK-UHFFFAOYSA-N 0 0 159.170 0.942 50 5 ACBARN CCOc1n[nH]cc1[N+](=O)[O-] 4243744 351325935 /nfs/dbraw/zinc/32/59/35/351325935.db2.gz PFGDUBXKJBQGRB-UHFFFAOYSA-N 0 0 157.129 0.717 50 5 in-vitro ACBARN O=[N+]([O-])c1n[nH]c2nncn12 4343693 351327768 /nfs/dbraw/zinc/32/77/68/351327768.db2.gz ZHDIWIXRSZUWRV-VKHMYHEASA-N 0 0 154.089 0.108 50 5 ACBARN O=c1[nH]nnc2cc([N+](=O)[O-])ccc12 4552259 351330215 /nfs/dbraw/zinc/33/02/15/351330215.db2.gz DWFUGNHCQVMHTN-UHFFFAOYSA-N 0 0 192.134 0.639 50 5 ACBARN O=[N+]([O-])c1nnc2[nH]cnn12 4593310 351331093 /nfs/dbraw/zinc/33/10/93/351331093.db2.gz AWCMXTWJKQDRDJ-GSVOUGTGSA-N 0 0 154.089 0.108 50 5 ACBARN O=[N+]([O-])c1nnc2[nH]cnn12 4593311 351331111 /nfs/dbraw/zinc/33/11/11/351331111.db2.gz AWCMXTWJKQDRDJ-VKHMYHEASA-N 0 0 154.089 0.108 50 5 ACBARN O=[N+]([O-])c1ccc(NCCO)cc1 4773987 351333620 /nfs/dbraw/zinc/33/36/20/351333620.db2.gz VPRLWNAMKBZKRR-UHFFFAOYSA-N 0 0 182.179 0.999 50 5 ACBARN O=[N+]([O-])c1ccc2nncn2c1 4946224 351335226 /nfs/dbraw/zinc/33/52/26/351335226.db2.gz HJWJREFDGWBRFD-UHFFFAOYSA-N 0 0 164.124 0.638 50 5 in-vitro ACBARN Cc1c([N+](=O)[O-])c(N)nn1C 4899259 351335357 /nfs/dbraw/zinc/33/53/57/351335357.db2.gz OPSCBKWWIDRPHS-UHFFFAOYSA-N 0 0 156.145 0.219 50 5 ACBARN Cc1ncn(C)c1[N+](=O)[O-] 5116108 351338983 /nfs/dbraw/zinc/33/89/83/351338983.db2.gz FEGUTYIXCZDKJV-UHFFFAOYSA-N 0 0 141.130 0.637 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc2n[nH]nc2c1 5425432 351343588 /nfs/dbraw/zinc/34/35/88/351343588.db2.gz AOCDQWRMYHJTMY-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 in-vitro ACBARN O=[N+]([O-])c1cccc2n[nH]nc12 5425412 351343621 /nfs/dbraw/zinc/34/36/21/351343621.db2.gz UTMDJGPRCLQPBT-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 in-vitro ACBARN O=c1[nH]cnc2cc([N+](=O)[O-])ccc12 5581430 351345571 /nfs/dbraw/zinc/34/55/71/351345571.db2.gz LPCJURLBTXOJHS-UHFFFAOYSA-N 0 0 191.146 0.831 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(CO)cc1[N+](=O)[O-] 6091872 351349336 /nfs/dbraw/zinc/34/93/36/351349336.db2.gz GALBVKDHQBDIJR-UHFFFAOYSA-N 0 0 198.134 0.995 50 5 in-vitro ACBARN O=[N+]([O-])c1ccccn1 8294941 351355381 /nfs/dbraw/zinc/35/53/81/351355381.db2.gz HLTDBMHJSBSAOM-UHFFFAOYSA-N 0 0 124.099 0.990 50 5 ACBARN O=c1cc[nH]cc1[N+](=O)[O-] 8581558 351356432 /nfs/dbraw/zinc/35/64/32/351356432.db2.gz YUWOLBZMQDGRFV-UHFFFAOYSA-N 0 0 140.098 0.283 50 5 in-vitro ACBARN O=c1ccc([N+](=O)[O-])c[nH]1 8580643 351356469 /nfs/dbraw/zinc/35/64/69/351356469.db2.gz XKWSQIMYNVLGBO-UHFFFAOYSA-N 0 0 140.098 0.283 50 5 in-vitro ACBARN O=c1[nH]cccc1[N+](=O)[O-] 8698093 351357487 /nfs/dbraw/zinc/35/74/87/351357487.db2.gz BOAFCICMVMFLIT-UHFFFAOYSA-N 0 0 140.098 0.283 50 5 in-vitro ACBARN O=c1cnc2ccc([N+](=O)[O-])cc2[nH]1 12375212 351364101 /nfs/dbraw/zinc/36/41/01/351364101.db2.gz CPIFPSDSDMLFMK-UHFFFAOYSA-N 0 0 191.146 0.831 50 5 in-vitro ACBARN O=[N+]([O-])c1cnn(C[C@@H]2CCOC2)c1 12398981 351365574 /nfs/dbraw/zinc/36/55/74/351365574.db2.gz OPVYVSDXZYGHDE-ZETCQYMHSA-N 0 0 197.194 0.828 50 5 ACBARN O=c1[nH]c2ccc([N+](=O)[O-])nc2[nH]1 13000311 351367472 /nfs/dbraw/zinc/36/74/72/351367472.db2.gz TXAMXRHQYUGXOV-UHFFFAOYSA-N 0 0 180.123 0.159 50 5 in-vitro ACBARN O=c1[nH]cnc2ccc([N+](=O)[O-])cc12 13496579 351369240 /nfs/dbraw/zinc/36/92/40/351369240.db2.gz MOBNCKURXDGQCB-UHFFFAOYSA-N 0 0 191.146 0.831 50 5 in-vitro ACBARN O=c1cc([N+](=O)[O-])cc[nH]1 14982953 351376019 /nfs/dbraw/zinc/37/60/19/351376019.db2.gz STJAXIFXCBWILG-UHFFFAOYSA-N 0 0 140.098 0.283 50 5 ACBARN O=[N+]([O-])c1cnc2cccnn12 15020287 351376509 /nfs/dbraw/zinc/37/65/09/351376509.db2.gz YWTZZJSJUVSJKG-UHFFFAOYSA-N 0 0 164.124 0.638 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(CO)c(O)c1 16697997 351380501 /nfs/dbraw/zinc/38/05/01/351380501.db2.gz XFOREGNWACQXLW-UHFFFAOYSA-N 0 0 169.136 0.793 50 5 in-vitro ACBARN O=c1[nH]nnc2ccc([N+](=O)[O-])cc12 18083333 351384179 /nfs/dbraw/zinc/38/41/79/351384179.db2.gz HFYBDBPOKYEMJB-UHFFFAOYSA-N 0 0 192.134 0.639 50 5 in-vitro ACBARN O=[N+]([O-])c1cnn2cc[nH]c12 18210555 351384827 /nfs/dbraw/zinc/38/48/27/351384827.db2.gz RRFCJQWQXKJDSC-UHFFFAOYSA-N 0 0 152.113 0.571 50 5 ACBARN O=[N+]([O-])c1cnn(C[C@@H]2CO2)c1 19810712 351395342 /nfs/dbraw/zinc/39/53/42/351395342.db2.gz VIZVMNQUUUAGAW-ZCFIWIBFSA-N 0 0 169.140 0.190 50 5 ACBARN O=[N+]([O-])c1cccnc1NCCO 19815723 351395722 /nfs/dbraw/zinc/39/57/22/351395722.db2.gz KSBCSRCDLQUKSY-UHFFFAOYSA-N 0 0 183.167 0.394 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(NCCCO)nc1 20324366 351403625 /nfs/dbraw/zinc/40/36/25/351403625.db2.gz PFIIECJLGFKFRT-UHFFFAOYSA-N 0 0 197.194 0.784 50 5 in-vitro ACBARN O=[N+]([O-])c1ccnc(CO)c1 21985729 351409808 /nfs/dbraw/zinc/40/98/08/351409808.db2.gz HFSUHEWRFBAVHH-UHFFFAOYSA-N 0 0 154.125 0.482 50 5 in-vitro ACBARN O=c1[nH]cncc1[N+](=O)[O-] 21982201 351408472 /nfs/dbraw/zinc/40/84/72/351408472.db2.gz LLVGNTFQVMZZPW-UHFFFAOYSA-N 0 0 141.086 0.090 50 5 ACBARN O=[N+]([O-])c1ccc(CO)nc1 21985568 351410235 /nfs/dbraw/zinc/41/02/35/351410235.db2.gz SUYQFFRZOVQBAS-UHFFFAOYSA-N 0 0 154.125 0.482 50 5 ACBARN O=Cc1[nH]cnc1[N+](=O)[O-] 32147215 351426377 /nfs/dbraw/zinc/42/63/77/351426377.db2.gz HVGCOWLYQUZAIM-UHFFFAOYSA-N 0 0 141.086 0.130 50 5 in-vitro ACBARN O=c1cc(Cl)c([N+](=O)[O-])c[nH]1 33358771 351430264 /nfs/dbraw/zinc/43/02/64/351430264.db2.gz VZBXTOUZMQUTIQ-UHFFFAOYSA-N 0 0 174.543 0.937 50 5 ACBARN O=Cc1cc([N+](=O)[O-])ccn1 34324395 351437525 /nfs/dbraw/zinc/43/75/25/351437525.db2.gz XWFNGAKFHUOJCQ-UHFFFAOYSA-N 0 0 152.109 0.802 50 5 ACBARN O=[N+]([O-])[C@H](CO)[C@H](O)c1ccccc1 34562784 351442576 /nfs/dbraw/zinc/44/25/76/351442576.db2.gz KAPBNJZOLYDLQK-RKDXNWHRSA-N 0 0 197.190 0.358 50 5 ACBARN O=c1cn[nH]c2ccc([N+](=O)[O-])cc12 34611717 351444492 /nfs/dbraw/zinc/44/44/92/351444492.db2.gz KHKIQKVEMYQXLZ-UHFFFAOYSA-N 0 0 191.146 0.831 50 5 ACBARN O=Cc1cccnc1[N+](=O)[O-] 35569835 351450518 /nfs/dbraw/zinc/45/05/18/351450518.db2.gz XOVNMCWPVHPBED-UHFFFAOYSA-N 0 0 152.109 0.802 50 5 ACBARN O=[N+]([O-])c1cnc2n[nH]cc2c1 35655623 351452029 /nfs/dbraw/zinc/45/20/29/351452029.db2.gz RXLQRSOJODHPES-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(O)c(CO)c1 36480227 351457581 /nfs/dbraw/zinc/45/75/81/351457581.db2.gz JEIYIXDNZKATLC-UHFFFAOYSA-N 0 0 169.136 0.793 50 5 in-vitro ACBARN CC(C)(O)Cn1cc([N+](=O)[O-])cn1 37694267 351471983 /nfs/dbraw/zinc/47/19/83/351471983.db2.gz GVVVJOVWEIZBJR-UHFFFAOYSA-N 0 0 185.183 0.562 50 5 in-vitro ACBARN O=[N+]([O-])[C@@H](CO)[C@H](O)c1ccccc1 38653789 351483238 /nfs/dbraw/zinc/48/32/38/351483238.db2.gz KAPBNJZOLYDLQK-DTWKUNHWSA-N 0 0 197.190 0.358 50 5 ACBARN O=[N+]([O-])[C@H](CO)[C@@H](O)c1ccccc1 38653786 351483418 /nfs/dbraw/zinc/48/34/18/351483418.db2.gz KAPBNJZOLYDLQK-BDAKNGLRSA-N 0 0 197.190 0.358 50 5 ACBARN C[C@H](C[NH+](C)C)[N+](=O)[O-] 39077973 351489005 /nfs/dbraw/zinc/48/90/05/351489005.db2.gz DXZMDABJBOTWTA-RXMQYKEDSA-N 0 0 132.163 0.213 50 5 in-vitro ACBARN CCOc1ccc([N+](=O)[O-])c(N)n1 39433991 351503423 /nfs/dbraw/zinc/50/34/23/351503423.db2.gz FOGGQBVTIHSOGZ-UHFFFAOYSA-N 0 0 183.167 0.971 50 5 ACBARN O=[N+]([O-])c1cnccc1-n1cncn1 40448168 351506947 /nfs/dbraw/zinc/50/69/47/351506947.db2.gz FBZATUUQBBCYOM-UHFFFAOYSA-N 0 0 191.150 0.571 50 5 ACBARN O=[N+]([O-])c1cnc(NC2CC2)nc1 40454315 351507769 /nfs/dbraw/zinc/50/77/69/351507769.db2.gz ZOEPSDWGDFODDB-UHFFFAOYSA-N 0 0 180.167 0.959 50 5 ACBARN CC(C)(O)Cn1ccc([N+](=O)[O-])n1 40517240 351508141 /nfs/dbraw/zinc/50/81/41/351508141.db2.gz NJRBOBSBHMHKFC-UHFFFAOYSA-N 0 0 185.183 0.562 50 5 in-vitro ACBARN CC([C@H](O)C(F)F)[N+](=O)[O-] 47844259 351545997 /nfs/dbraw/zinc/54/59/97/351545997.db2.gz BJDXAXMDSACXOY-HRFVKAFMSA-N 0 0 155.100 0.278 50 5 ACBARN CC([C@@H](O)C(F)F)[N+](=O)[O-] 47844261 351546334 /nfs/dbraw/zinc/54/63/34/351546334.db2.gz BJDXAXMDSACXOY-STHAYSLISA-N 0 0 155.100 0.278 50 5 ACBARN CCOCn1cc([N+](=O)[O-])cn1 66324289 351593487 /nfs/dbraw/zinc/59/34/87/351593487.db2.gz SDEIRDJUCBOBTO-UHFFFAOYSA-N 0 0 171.156 0.785 50 5 ACBARN O=[N+]([O-])c1cnn(C[C@H]2CCCO2)c1 67796679 351593973 /nfs/dbraw/zinc/59/39/73/351593973.db2.gz KQTCKXRXKVVUSN-MRVPVSSYSA-N 0 0 197.194 0.970 50 5 ACBARN O=[N+]([O-])c1cnn(C[C@@H]2CCCO2)c1 67796678 351594283 /nfs/dbraw/zinc/59/42/83/351594283.db2.gz KQTCKXRXKVVUSN-QMMMGPOBSA-N 0 0 197.194 0.970 50 5 ACBARN O=c1[nH]nc2[n-]cc([N+](=O)[O-])cc1-2 68592596 351595544 /nfs/dbraw/zinc/59/55/44/351595544.db2.gz RNBOURUUSIHRIZ-UHFFFAOYSA-N 0 0 180.123 0.572 50 5 in-vitro ACBARN O=[N+]([O-])c1ccc(N2CC(O)C2)cc1 70917005 351608510 /nfs/dbraw/zinc/60/85/10/351608510.db2.gz YXXPWZVSMMYDDC-UHFFFAOYSA-N 0 0 194.190 0.776 50 5 ACBARN O=[N+]([O-])c1cccnc1OC1COC1 71791932 351613803 /nfs/dbraw/zinc/61/38/03/351613803.db2.gz GNVZIPRMGVTJNB-UHFFFAOYSA-N 0 0 196.162 0.767 50 5 ACBARN O=[N+]([O-])c1ccc(OC2COC2)nc1 71791931 351613919 /nfs/dbraw/zinc/61/39/19/351613919.db2.gz NFGISEIUOFRCIZ-UHFFFAOYSA-N 0 0 196.162 0.767 50 5 ACBARN O=[N+]([O-])c1cnc2[nH]cnc2c1 85224532 351652601 /nfs/dbraw/zinc/65/26/01/351652601.db2.gz NYSTWXCATZYTAU-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 ACBARN O=[N+]([O-])c1ccc(CO)c(CO)c1 85223553 351652766 /nfs/dbraw/zinc/65/27/66/351652766.db2.gz BVWREOCJVMLGTJ-UHFFFAOYSA-N 0 0 183.163 0.579 50 5 ACBARN O=[N+]([O-])c1cnc2c[nH]nc2c1 89219724 351664130 /nfs/dbraw/zinc/66/41/30/351664130.db2.gz RWWPFTSMFSNMAL-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 ACBARN CCOc1nn(C)cc1[N+](=O)[O-] 95098616 351668904 /nfs/dbraw/zinc/66/89/04/351668904.db2.gz OKGABFFYOHEJNN-UHFFFAOYSA-N 0 0 171.156 0.727 50 5 ACBARN CCOc1ncc([N+](=O)[O-])c(N)n1 95095493 351669008 /nfs/dbraw/zinc/66/90/08/351669008.db2.gz FOFPWQNVQCASKS-UHFFFAOYSA-N 0 0 184.155 0.366 50 5 ACBARN O=[N+]([O-])c1cnn(CCF)c1 95098577 351669079 /nfs/dbraw/zinc/66/90/79/351669079.db2.gz RKIKDIVGRMPBJM-UHFFFAOYSA-N 0 0 159.120 0.761 50 5 ACBARN O=[N+]([O-])c1ccn(CCF)n1 95098578 351669105 /nfs/dbraw/zinc/66/91/05/351669105.db2.gz WBWPGVQNCGXJCE-UHFFFAOYSA-N 0 0 159.120 0.761 50 5 ACBARN O=[N+]([O-])c1cnn2c1NCCC2 95743029 351673711 /nfs/dbraw/zinc/67/37/11/351673711.db2.gz NRYKSXYBFPTTGH-UHFFFAOYSA-N 0 0 168.156 0.607 50 5 ACBARN O=[N+]([O-])c1cc[nH]n1 95908461 351675697 /nfs/dbraw/zinc/67/56/97/351675697.db2.gz MZRUFMBFIKGOAL-UHFFFAOYSA-N 0 0 113.076 0.318 50 5 in-vitro ACBARN O=c1[nH]ccn2cc([N+](=O)[O-])cc12 96029125 351678353 /nfs/dbraw/zinc/67/83/53/351678353.db2.gz ZMMALYZUVYGNIG-UHFFFAOYSA-N 0 0 179.135 0.536 50 5 ACBARN O=[N+]([O-])c1cccnc1CO 98213525 351685280 /nfs/dbraw/zinc/68/52/80/351685280.db2.gz NYLVVAOSNPCBJR-UHFFFAOYSA-N 0 0 154.125 0.482 50 5 ACBARN O=[N+]([O-])c1cnccc1CO 98213528 351685519 /nfs/dbraw/zinc/68/55/19/351685519.db2.gz BVOBBCMGAOHAIX-UHFFFAOYSA-N 0 0 154.125 0.482 50 5 ACBARN O=[N+]([O-])c1ccncc1CO 98213527 351685727 /nfs/dbraw/zinc/68/57/27/351685727.db2.gz OGYQYZQZURFWGU-UHFFFAOYSA-N 0 0 154.125 0.482 50 5 ACBARN O=[N+]([O-])c1cc[n+]([O-])c2[nH]cnc12 100061496 351689191 /nfs/dbraw/zinc/68/91/91/351689191.db2.gz QWIUCDUVNPNMPO-UHFFFAOYSA-N 0 0 180.123 0.105 50 5 ACBARN O=[N+]([O-])c1cn([C@H]2C[C@H](O)C2)cn1 100470147 351697702 /nfs/dbraw/zinc/69/77/02/351697702.db2.gz BCWKOPMBUZHCDL-OLQVQODUSA-N 0 0 183.167 0.487 50 5 ACBARN O=[N+]([O-])c1ccc(CCO)nc1 146022069 351748431 /nfs/dbraw/zinc/74/84/31/351748431.db2.gz TUDGEJIEPUQPCM-UHFFFAOYSA-N 0 0 168.152 0.525 50 5 ACBARN O=[N+]([O-])c1ccc([C@H]2N[C@H]2CO)cc1 169377453 351769997 /nfs/dbraw/zinc/76/99/97/351769997.db2.gz WPEJVIRQAAQCFW-DTWKUNHWSA-N 0 0 194.190 0.600 50 5 ACBARN O=[N+]([O-])c1ccc([C@@H]2N[C@@H]2CO)cc1 169377450 351770117 /nfs/dbraw/zinc/77/01/17/351770117.db2.gz WPEJVIRQAAQCFW-BDAKNGLRSA-N 0 0 194.190 0.600 50 5 ACBARN CCOc1[nH]cnc1[N+](=O)[O-] 5799585 371619187 /nfs/dbraw/zinc/61/91/87/371619187.db2.gz HKUDQLIILHHOAM-UHFFFAOYSA-N 0 0 157.129 0.717 50 5 ACBARN O=[N+]([O-])c1cc[n+]([O-])cc1Cl 32219979 371630878 /nfs/dbraw/zinc/63/08/78/371630878.db2.gz MBHLTDWOVIYXEW-UHFFFAOYSA-N 0 0 174.543 0.882 50 5 in-vitro ACBARN O=[N+]([O-])c1cc[n+]([O-])c2[nH]ccc12 32298270 371631016 /nfs/dbraw/zinc/63/10/16/371631016.db2.gz AFJMMGUFUOHNCQ-UHFFFAOYSA-N 0 0 179.135 0.710 50 5 in-vitro ACBARN O=[N+]([O-])c1cccc([N+](=O)[O-])n1 59216156 371637732 /nfs/dbraw/zinc/63/77/32/371637732.db2.gz YHIZCHYBKFHHTB-UHFFFAOYSA-N 0 0 169.096 0.898 50 5 ACBARN O=[N+]([O-])c1ccnc2n[nH]cc12 206020361 371706474 /nfs/dbraw/zinc/70/64/74/371706474.db2.gz KFUONTSQILUGSY-UHFFFAOYSA-N 0 0 164.124 0.866 50 5 ACBARN O=[N+]([O-])c1ccccc1NCCO 3887467 375287656 /nfs/dbraw/zinc/28/76/56/375287656.db2.gz LFOUYKNCQNVIGI-UHFFFAOYSA-N 0 0 182.179 0.999 50 5 ACBARN O=c1[nH]ccc2ncc([N+](=O)[O-])cc12 208329189 375414535 /nfs/dbraw/zinc/41/45/35/375414535.db2.gz MLPJIQYHSLWMLH-UHFFFAOYSA-N 0 0 191.146 0.831 50 5 in-vitro ACBARN CC(=O)Nc1[nH]c(=O)ccc1[N+](=O)[O-] 8939819 409314586 /nfs/dbraw/zinc/31/45/86/409314586.db2.gz PKRPEMDJIZOMSG-UHFFFAOYSA-N 0 0 197.150 0.654 50 5 ACBARN O=c1[nH]cnc2c([N+](=O)[O-])cccc12 15924495 409314351 /nfs/dbraw/zinc/31/43/51/409314351.db2.gz FECQXFFMBXNHLB-UHFFFAOYSA-N 0 0 191.146 0.831 50 5 ACBARN Cc1cc(=O)[nH]c(C)c1[N+](=O)[O-] 104766401 409454654 /nfs/dbraw/zinc/45/46/54/409454654.db2.gz TYBJZGHCXBZQJD-UHFFFAOYSA-N 0 0 168.152 0.900 50 5 ACBARN C[N+](C)(C)CCCCC(=O)[O-] 13356336 717107705 /nfs/dbraw/zinc/10/77/05/717107705.db2.gz CDLVFVFTRQPQFU-UHFFFAOYSA-O 0 0 160.237 0.948 50 5 ACBARN COC(=O)c1c[nH]c([N+](=O)[O-])c1 15446279 521794518 /nfs/dbraw/zinc/79/45/18/521794518.db2.gz ZTWHUNPGEGHLDC-UHFFFAOYSA-N 0 0 170.124 0.710 50 5 in-vitro ACBARN CCn1cncc1[N+](=O)[O-] 60159326 523578919 /nfs/dbraw/zinc/57/89/19/523578919.db2.gz JIUFIUFXILBXAC-UHFFFAOYSA-N 0 0 141.130 0.811 50 5 ACBARN O=[N+]([O-])c1nccn1CC1OCCO1 918368340 630805011 /nfs/dbraw/zinc/80/50/11/630805011.db2.gz HQHWFPHZKPGWEK-UHFFFAOYSA-N 0 0 199.166 0.164 50 5 ACBARN O=[N+]([O-])[C@]1(Br)CCOC1 958528889 631164417 /nfs/dbraw/zinc/16/44/17/631164417.db2.gz XVRPADLZZLNJEU-SCSAIBSYSA-N 0 0 196.000 0.775 50 5 ACBARN O=[N+]([O-])[C@@]1(Br)CCOC1 958528888 631164671 /nfs/dbraw/zinc/16/46/71/631164671.db2.gz XVRPADLZZLNJEU-BYPYZUCNSA-N 0 0 196.000 0.775 50 5 ACBARN O=[N+]([O-])C1(Br)COC1 958528927 631164841 /nfs/dbraw/zinc/16/48/41/631164841.db2.gz YRXHPDFQJMCAOI-UHFFFAOYSA-N 0 0 181.973 0.385 50 5 ACBARN COc1cc([N+](=O)[O-])c(CO)cc1O 90516285 1224181716 /nfs/dbraw/zinc/18/17/16/1224181716.db2.gz BREHZRPAACNKTR-UHFFFAOYSA-N 0 0 199.162 0.801 50 5 in-vitro ACBARN NNc1ncc(Cl)cc1[N+](=O)[O-] 83596838 527287463 /nfs/dbraw/zinc/28/74/63/527287463.db2.gz UHYSNWKUKBMEHR-UHFFFAOYSA-N 0 0 188.574 0.929 50 5 in-vitro ACBARN