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YBLNYAGKXRPARD-UHFFFAOYSA-N -1 0 193.158 1.478 10 5 ADBERM CC[C@@H](C[C@@H](C)C(=O)[O-])[N+](=O)[O-] 307923341 572758569 /nfs/dbraw/zinc/75/85/69/572758569.db2.gz JYXPFCUEZAFQBV-RITPCOANSA-N -1 0 175.184 1.153 10 5 ADBERM CC[C@H](C[C@@H](C)C(=O)[O-])[N+](=O)[O-] 307923340 572759829 /nfs/dbraw/zinc/75/98/29/572759829.db2.gz JYXPFCUEZAFQBV-PHDIDXHHSA-N -1 0 175.184 1.153 10 5 ADBERM CC[C@H](C[C@H](C)C(=O)[O-])[N+](=O)[O-] 307923339 572760095 /nfs/dbraw/zinc/76/00/95/572760095.db2.gz JYXPFCUEZAFQBV-NTSWFWBYSA-N -1 0 175.184 1.153 10 5 ADBERM CC[C@@H](CC(=O)[O-])[C@H](C)[N+](=O)[O-] 307923942 572771169 /nfs/dbraw/zinc/77/11/69/572771169.db2.gz MOCNWWIYCGMXEJ-WDSKDSINSA-N -1 0 175.184 1.153 10 5 ADBERM CC[C@H](CC(=O)[O-])[C@H](C)[N+](=O)[O-] 307923938 572771282 /nfs/dbraw/zinc/77/12/82/572771282.db2.gz MOCNWWIYCGMXEJ-NTSWFWBYSA-N -1 0 175.184 1.153 10 5 ADBERM CC[C@@H](CC(=O)[O-])[C@@H](C)[N+](=O)[O-] 307923941 572771955 /nfs/dbraw/zinc/77/19/55/572771955.db2.gz MOCNWWIYCGMXEJ-RITPCOANSA-N 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C[C@H](CO)c1cc([N+](=O)[O-])ccc1O 257953952 573115649 /nfs/dbraw/zinc/11/56/49/573115649.db2.gz BFTWCVHZONZXOJ-ZCFIWIBFSA-N -1 0 197.190 1.396 10 5 ADBERM C[C@@H](CO)c1cc([N+](=O)[O-])ccc1O 257953950 573117270 /nfs/dbraw/zinc/11/72/70/573117270.db2.gz BFTWCVHZONZXOJ-LURJTMIESA-N -1 0 197.190 1.396 10 5 ADBERM CCc1c([N+](=O)[O-])cc(C(=O)[O-])n1C 337398 573155523 /nfs/dbraw/zinc/15/55/23/573155523.db2.gz ROGUNCBUQPWHNZ-UHFFFAOYSA-N -1 0 198.178 1.194 10 5 ADBERM Cc1c(C=O)ccc([N+](=O)[O-])c1[O-] 197167983 573179031 /nfs/dbraw/zinc/17/90/31/573179031.db2.gz SLMJDWOTZHLGSH-UHFFFAOYSA-N -1 0 181.147 1.421 10 5 ADBERM Cc1[nH]c([N+](=O)[O-])c(C)c1C(=O)[O-] 356548 573228209 /nfs/dbraw/zinc/22/82/09/573228209.db2.gz BRBSBFZFZBWXQS-UHFFFAOYSA-N -1 0 184.151 1.238 10 5 ADBERM Cc1ccc(C(=O)[O-])c(N)c1[N+](=O)[O-] 116754870 573306859 /nfs/dbraw/zinc/30/68/59/573306859.db2.gz FTINTRPSAYYLMB-UHFFFAOYSA-N -1 0 196.162 1.184 10 5 ADBERM Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])n1 84226641 573332202 /nfs/dbraw/zinc/33/22/02/573332202.db2.gz NMSVYOSTNVVPEC-UHFFFAOYSA-N -1 0 196.162 1.305 10 5 ADBERM Cc1cnc(C(=O)[O-])c(C)c1[N+](=O)[O-] 39084250 573371599 /nfs/dbraw/zinc/37/15/99/573371599.db2.gz BKIIQOONEVXSLY-UHFFFAOYSA-N -1 0 196.162 1.305 10 5 ADBERM COc1cccc([N+](=O)[O-])c1[S-] 238377374 573386820 /nfs/dbraw/zinc/38/68/20/573386820.db2.gz GPXKLQIGTQLAMR-UHFFFAOYSA-N -1 0 185.204 1.892 10 5 ADBERM COc1cc([S-])cc([N+](=O)[O-])c1 238409836 573471460 /nfs/dbraw/zinc/47/14/60/573471460.db2.gz HKMMZDQSCRYNOZ-UHFFFAOYSA-N -1 0 185.204 1.892 10 5 ADBERM O=c1c([N+](=O)[O-])c[n-]c2cnccc12 75272288 573511909 /nfs/dbraw/zinc/51/19/09/573511909.db2.gz YRJVPUSDMQKEOT-UHFFFAOYSA-N -1 0 191.146 1.244 10 5 ADBERM O=[N+]([O-])c1ncc2ccccc2c1[O-] 144575411 573664350 /nfs/dbraw/zinc/66/43/50/573664350.db2.gz BHSXBXNSIPOGDN-UHFFFAOYSA-N -1 0 190.158 1.849 10 5 ADBERM C=Cc1ccc([O-])c([N+](=O)[O-])n1 209851468 573671561 /nfs/dbraw/zinc/67/15/61/573671561.db2.gz FTPMHIOWTVIOMD-UHFFFAOYSA-N -1 0 166.136 1.338 10 5 ADBERM Cc1cc(O)cc([N+](=O)[O-])c1O 238478715 573689306 /nfs/dbraw/zinc/68/93/06/573689306.db2.gz CUIOBHOKYUFZOY-UHFFFAOYSA-N -1 0 169.136 1.314 10 5 ADBERM C[C@H](C(=O)[O-])[C@@H](C)[C@@H](C)[N+](=O)[O-] 308735294 573777939 /nfs/dbraw/zinc/77/79/39/573777939.db2.gz GARSLBWEOQKGAG-NGJCXOISSA-N -1 0 175.184 1.008 10 5 ADBERM C[C@H](C(=O)[O-])[C@H](C)[C@H](C)[N+](=O)[O-] 308735296 573779312 /nfs/dbraw/zinc/77/93/12/573779312.db2.gz GARSLBWEOQKGAG-ZLUOBGJFSA-N -1 0 175.184 1.008 10 5 ADBERM C[C@H](C(=O)[O-])[C@H](C)[C@@H](C)[N+](=O)[O-] 308735293 573780950 /nfs/dbraw/zinc/78/09/50/573780950.db2.gz GARSLBWEOQKGAG-HCWXCVPCSA-N -1 0 175.184 1.008 10 5 ADBERM Cc1cc([S-])cc([N+](=O)[O-])c1O 238504323 573784764 /nfs/dbraw/zinc/78/47/64/573784764.db2.gz FLWZYSNVQJMOIQ-UHFFFAOYSA-N -1 0 185.204 1.898 10 5 ADBERM Cc1cc([N+](=O)[O-])sc1C(=O)[O-] 84305252 573836337 /nfs/dbraw/zinc/83/63/37/573836337.db2.gz RCDYKNFEJSIPGQ-UHFFFAOYSA-N -1 0 187.176 1.663 10 5 ADBERM O=C([O-])/C=C/c1ccc([N+](=O)[O-])[nH]1 205937243 573878858 /nfs/dbraw/zinc/87/88/58/573878858.db2.gz MIFWXGODBLISSW-DUXPYHPUSA-N -1 0 182.135 1.021 10 5 ADBERM O=C([O-])/C=C\c1ccc([N+](=O)[O-])[nH]1 205937229 573879957 /nfs/dbraw/zinc/87/99/57/573879957.db2.gz MIFWXGODBLISSW-RQOWECAXSA-N -1 0 182.135 1.021 10 5 ADBERM O=C([O-])/C=C/c1cc([N+](=O)[O-])c[nH]1 205937212 573880079 /nfs/dbraw/zinc/88/00/79/573880079.db2.gz KRYJTKYNXCHJPL-OWOJBTEDSA-N -1 0 182.135 1.021 10 5 ADBERM CCC(=O)c1ccc([O-])c([N+](=O)[O-])c1 36262885 343142850 /nfs/dbraw/zinc/14/28/50/343142850.db2.gz ZXXQSUUUGORSCV-UHFFFAOYSA-N -1 0 195.174 1.893 10 5 ADBERM CC(=O)Nc1c([O-])cccc1[N+](=O)[O-] 39235865 343207542 /nfs/dbraw/zinc/20/75/42/343207542.db2.gz ITTJPHUQMZDKHQ-UHFFFAOYSA-N -1 0 196.162 1.259 10 5 ADBERM O=c1[n-][nH]c2ccc([N+](=O)[O-])c(F)c12 100231716 343713271 /nfs/dbraw/zinc/71/32/71/343713271.db2.gz ZREKIIXTDGUEED-UHFFFAOYSA-N -1 0 197.125 1.316 10 5 in-vitro ADBERM C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)[O-] 173094 166049833 /nfs/dbraw/zinc/04/98/33/166049833.db2.gz DAUWDSUMQISFQD-PLNGDYQASA-N -1 0 197.146 1.676 10 5 ADBERM C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)[O-] 33384947 166050640 /nfs/dbraw/zinc/05/06/40/166050640.db2.gz DAUWDSUMQISFQD-SNAWJCMRSA-N -1 0 197.146 1.676 10 5 ADBERM C=C(C(=O)[O-])c1ccccc1[N+](=O)[O-] 44199181 166111941 /nfs/dbraw/zinc/11/19/41/166111941.db2.gz BUAWXVIWHUELGN-UHFFFAOYSA-N -1 0 193.158 1.693 10 5 ADBERM C=Cc1ccc(C(=O)[O-])cc1[N+](=O)[O-] 39083898 166222839 /nfs/dbraw/zinc/22/28/39/166222839.db2.gz WTKSNZKKULBDGF-UHFFFAOYSA-N -1 0 193.158 1.936 10 5 ADBERM C=Cc1cccc(C(=O)[O-])c1[N+](=O)[O-] 39083933 166223226 /nfs/dbraw/zinc/22/32/26/166223226.db2.gz BBEFQLXAHPPZIE-UHFFFAOYSA-N -1 0 193.158 1.936 10 5 ADBERM C=Cc1ccc([N+](=O)[O-])c([O-])c1 39133642 166223375 /nfs/dbraw/zinc/22/33/75/166223375.db2.gz NNGIHPSIRLXGSE-UHFFFAOYSA-N -1 0 165.148 1.943 10 5 ADBERM CC(=O)Cc1cc([N+](=O)[O-])ccc1[O-] 2525476 166247046 /nfs/dbraw/zinc/24/70/46/166247046.db2.gz FBMZLLUCGAIBAT-UHFFFAOYSA-N -1 0 195.174 1.432 10 5 ADBERM CC(=O)c1cc([N+](=O)[O-])c(N)cc1[O-] 299889840 166319259 /nfs/dbraw/zinc/31/92/59/166319259.db2.gz PMHYHESOJZBAQG-UHFFFAOYSA-N -1 0 196.162 1.085 10 5 ADBERM CC(C)C[C@H](C[N+](=O)[O-])C(=O)[O-] 29123159 166493426 /nfs/dbraw/zinc/49/34/26/166493426.db2.gz ZOMZUZSXIZICRU-ZCFIWIBFSA-N -1 0 175.184 1.010 10 5 ADBERM CC(C)n1nc(C(=O)[O-])cc1[N+](=O)[O-] 20313937 166651945 /nfs/dbraw/zinc/65/19/45/166651945.db2.gz AEEKPQDFWGOFNH-UHFFFAOYSA-N -1 0 199.166 1.070 10 5 ADBERM CCCn1cc([N+](=O)[O-])cc1C(=O)[O-] 34741839 167117985 /nfs/dbraw/zinc/11/79/85/167117985.db2.gz FTWWVHHTRYGHLX-UHFFFAOYSA-N -1 0 198.178 1.505 10 5 ADBERM CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 19844624 168067375 /nfs/dbraw/zinc/06/73/75/168067375.db2.gz WGYBHRCQOGMXDV-UHFFFAOYSA-N -1 0 196.162 1.335 10 5 ADBERM CNc1cccc([N+](=O)[O-])c1C(=O)[O-] 39084297 168069218 /nfs/dbraw/zinc/06/92/18/168069218.db2.gz YDAWVNODOKJUFL-UHFFFAOYSA-N -1 0 196.162 1.335 10 5 ADBERM COC(=N)c1ccc([O-])c([N+](=O)[O-])c1 44272454 168077583 /nfs/dbraw/zinc/07/75/83/168077583.db2.gz BSFKABRSENRNFI-UHFFFAOYSA-N -1 0 196.162 1.272 10 5 ADBERM COCCc1ccc([O-])c([N+](=O)[O-])c1 52064479 168175232 /nfs/dbraw/zinc/17/52/32/168175232.db2.gz PVRGHCNGNUFPLB-UHFFFAOYSA-N -1 0 197.190 1.489 10 5 ADBERM COc1cc(C)nc([N+](=O)[O-])c1[O-] 167036384 168231762 /nfs/dbraw/zinc/23/17/62/168231762.db2.gz IQAPQZLJVDQJSD-UHFFFAOYSA-N -1 0 184.151 1.012 10 5 ADBERM COc1cc([N+](=O)[O-])c(F)cc1[O-] 82391914 168240731 /nfs/dbraw/zinc/24/07/31/168240731.db2.gz MMIURQBJQOYAOS-UHFFFAOYSA-N -1 0 187.126 1.448 10 5 ADBERM COc1cc([N+](=O)[O-])ccc1[S-] 39090243 168240981 /nfs/dbraw/zinc/24/09/81/168240981.db2.gz MEJGHHKHYNUQKQ-UHFFFAOYSA-N -1 0 185.204 1.892 10 5 ADBERM COc1ccc([N+](=O)[O-])c([O-])c1C 71617293 168260818 /nfs/dbraw/zinc/26/08/18/168260818.db2.gz HALLABQGZZNRKU-UHFFFAOYSA-N -1 0 183.163 1.617 10 5 ADBERM COc1ccc2nc([N+](=O)[O-])[n-]c2c1 5424658 168266868 /nfs/dbraw/zinc/26/68/68/168266868.db2.gz OIFNPDLEMUEBIV-UHFFFAOYSA-N -1 0 193.162 1.480 10 5 ADBERM COc1nc2c([N+](=O)[O-])cccc2[n-]1 89195059 168283989 /nfs/dbraw/zinc/28/39/89/168283989.db2.gz KVYPDTPAXGMALM-UHFFFAOYSA-N -1 0 193.162 1.480 10 5 ADBERM C[C@@H](C(=O)[O-])c1ccccc1[N+](=O)[O-] 98087574 168329074 /nfs/dbraw/zinc/32/90/74/168329074.db2.gz BCYIUCVPTJDUPV-ZCFIWIBFSA-N -1 0 195.174 1.783 10 5 ADBERM Cc1cc(N)c(C(=O)[O-])cc1[N+](=O)[O-] 39084222 168763828 /nfs/dbraw/zinc/76/38/28/168763828.db2.gz AXFFZRYCZQODAO-UHFFFAOYSA-N -1 0 196.162 1.184 10 5 ADBERM Cc1ccc([N+](=O)[O-])c(N)c1C(=O)[O-] 39084278 168845629 /nfs/dbraw/zinc/84/56/29/168845629.db2.gz NEWOPFWUNAJMNX-UHFFFAOYSA-N -1 0 196.162 1.184 10 5 ADBERM Cc1oc(C)c([N+](=O)[O-])c1C(=O)[O-] 21951124 169006761 /nfs/dbraw/zinc/00/67/61/169006761.db2.gz PJJKRUQMCSHPEI-UHFFFAOYSA-N -1 0 185.135 1.503 10 5 ADBERM Cc1oc([N+](=O)[O-])c(C)c1C(=O)[O-] 1688622 169009731 /nfs/dbraw/zinc/00/97/31/169009731.db2.gz 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