smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001253437452 969174036 /nfs/dbraw/zinc/17/40/36/969174036.db2.gz YIBGMTGWGXNUMM-UHFFFAOYSA-N -1 3 222.160 1.054 20 5 BDBDHM O=c1[n-]cncc1Nc1cccc([N+](=O)[O-])c1 ZINC001204439555 957415811 /nfs/dbraw/zinc/41/58/11/957415811.db2.gz GVRXXAYWUVAKLF-UHFFFAOYSA-N -1 3 232.199 1.834 20 5 BDBDHM CC(=O)[C@H](C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226334312 974863859 /nfs/dbraw/zinc/86/38/59/974863859.db2.gz SXEOKXRNNNIPJZ-ZETCQYMHSA-N -1 3 225.200 1.657 20 5 BDBDHM Cn1ncc(N)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818552 983017355 /nfs/dbraw/zinc/01/73/55/983017355.db2.gz DHHGXHOUSOBOQM-UHFFFAOYSA-N -1 3 249.230 1.360 20 5 BDBDHM CO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000056677363 398276663 /nfs/dbraw/zinc/27/66/63/398276663.db2.gz CMNBHVWQGJREMW-HYXAFXHYSA-N -1 3 240.190 1.425 20 5 BDBDHM C[C@H](NCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000034557356 346919208 /nfs/dbraw/zinc/91/92/08/346919208.db2.gz HBKDZIXSMPZNOF-ZETCQYMHSA-N -1 3 224.216 1.158 20 5 BDBDHM CC(=O)[N-]O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180805254 187307878 /nfs/dbraw/zinc/30/78/78/187307878.db2.gz QRHQECHUGOTAED-SSDOTTSWSA-N -1 3 224.216 1.724 20 5 BDBDHM O=c1[n-]ccc(N2C[C@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596157245 348458513 /nfs/dbraw/zinc/45/85/13/348458513.db2.gz RKALKVYAXXNSNK-RKDXNWHRSA-N -1 3 249.270 1.932 20 5 BDBDHM C[C@@H]1C[C@@H](C)N1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596222065 348470280 /nfs/dbraw/zinc/47/02/80/348470280.db2.gz JHYZDBKOWUSNNR-RNFRBKRXSA-N -1 3 223.232 1.683 20 5 BDBDHM CCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000160424430 386916012 /nfs/dbraw/zinc/91/60/12/386916012.db2.gz HWGLPSSUYOKSIT-UHFFFAOYSA-N -1 3 238.243 1.513 20 5 BDBDHM CCO[N-]C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269418249 387061619 /nfs/dbraw/zinc/06/16/19/387061619.db2.gz WZCVNXAVMWBRNK-UHFFFAOYSA-N -1 3 242.235 1.123 20 5 BDBDHM O=C(Nc1ccc([O-])cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548087351 388080431 /nfs/dbraw/zinc/08/04/31/388080431.db2.gz ZAUFXZRLWBVDFP-UHFFFAOYSA-N -1 3 248.198 1.276 20 5 BDBDHM Cc1noc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000042702701 388105802 /nfs/dbraw/zinc/10/58/02/388105802.db2.gz PCZNHWFKCBBDDN-UHFFFAOYSA-N -1 3 248.198 1.539 20 5 BDBDHM CO[C@H](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596108490 388404405 /nfs/dbraw/zinc/40/44/05/388404405.db2.gz KHYPIPUSRUNMMR-SSDOTTSWSA-N -1 3 241.247 1.532 20 5 BDBDHM O=C([N-]c1nccs1)c1c[nH]nc1[N+](=O)[O-] ZINC000548735988 388367757 /nfs/dbraw/zinc/36/77/57/388367757.db2.gz YECUNQOJJZWTRU-UHFFFAOYSA-N -1 3 239.216 1.027 20 5 BDBDHM O=c1[n-]ccc(N2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000596221073 388409330 /nfs/dbraw/zinc/40/93/30/388409330.db2.gz ULHHLYCGQQHMPQ-SSDOTTSWSA-N -1 3 241.222 1.634 20 5 BDBDHM Cc1nnccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000347923718 136018692 /nfs/dbraw/zinc/01/86/92/136018692.db2.gz DFXAKWQVULQHBI-UHFFFAOYSA-N -1 3 248.198 1.539 20 5 BDBDHM C[C@H](C(=O)[O-])N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000054070162 411202581 /nfs/dbraw/zinc/20/25/81/411202581.db2.gz DXAAXLHQAQQVKC-MRVPVSSYSA-N -1 3 238.243 1.500 20 5 BDBDHM CO[N-]C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000785146770 585871095 /nfs/dbraw/zinc/87/10/95/585871095.db2.gz UWUQQGCBIHEELD-FPLPWBNLSA-N -1 3 236.227 1.676 20 5 BDBDHM CC(=O)[N-]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000820705286 587067821 /nfs/dbraw/zinc/06/78/21/587067821.db2.gz AURUKXASBTZHLI-UHFFFAOYSA-N -1 3 228.179 1.302 20 5 BDBDHM C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000310363466 598204665 /nfs/dbraw/zinc/20/46/65/598204665.db2.gz UPAYLNMKYXHUPS-ZCFIWIBFSA-N -1 3 242.206 1.297 20 5 BDBDHM C[C@@H](CNCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC001332978278 975352091 /nfs/dbraw/zinc/35/20/91/975352091.db2.gz HTSWFTAOEOTIGN-LURJTMIESA-N -1 3 244.272 1.467 20 5 BDBDHM CC(=O)[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745218 975669872 /nfs/dbraw/zinc/66/98/72/975669872.db2.gz KYMQTUFDXGEVLU-ZETCQYMHSA-N -1 3 249.226 1.827 20 5 BDBDHM CC(=O)[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745218 975669885 /nfs/dbraw/zinc/66/98/85/975669885.db2.gz KYMQTUFDXGEVLU-ZETCQYMHSA-N -1 3 249.226 1.827 20 5 BDBDHM O=c1[n-]cncc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203569047 979836002 /nfs/dbraw/zinc/83/60/02/979836002.db2.gz OXOZQRDHXALCQN-UHFFFAOYSA-N -1 3 233.187 1.229 20 5 BDBDHM O=c1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn[nH]1 ZINC001199818937 983017971 /nfs/dbraw/zinc/01/79/71/983017971.db2.gz HWYOGKNSMYAMBA-UHFFFAOYSA-N -1 3 248.198 1.540 20 5 BDBDHM C=C=CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001458405426 985308851 /nfs/dbraw/zinc/30/88/51/985308851.db2.gz ZWPYRFDPPGXQPR-UHFFFAOYSA-N -1 3 207.189 1.448 20 5 BDBDHM O=c1[n-]ccc(N2CC(F)(F)C2)c1[N+](=O)[O-] ZINC001516803876 989175554 /nfs/dbraw/zinc/17/55/54/989175554.db2.gz VEKYRDDEUWAGRX-UHFFFAOYSA-N -1 3 231.158 1.151 20 5 BDBDHM C[C@@H]1C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596107347 348441045 /nfs/dbraw/zinc/44/10/45/348441045.db2.gz HHJFOHNQRTWUEN-IYSWYEEDSA-N -1 3 209.205 1.516 20 5 BDBDHM CCC[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596122391 348454707 /nfs/dbraw/zinc/45/47/07/348454707.db2.gz IKBXJVUCYFRQMI-SSDOTTSWSA-N -1 3 241.247 1.268 20 5 BDBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596214783 348467701 /nfs/dbraw/zinc/46/77/01/348467701.db2.gz LLDXBEGSQDBHGC-UHFFFAOYSA-N -1 3 223.232 1.542 20 5 BDBDHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])nc1 ZINC000359907543 182936199 /nfs/dbraw/zinc/93/61/99/182936199.db2.gz WOSXBZAZNKUHNV-UHFFFAOYSA-N -1 3 246.226 1.703 20 5 BDBDHM Cc1nccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000344883983 135805073 /nfs/dbraw/zinc/80/50/73/135805073.db2.gz BEODEMUFHWZTBH-UHFFFAOYSA-N -1 3 248.198 1.539 20 5 BDBDHM CC(C)(CCC(=O)[N-]OCC1CCC1)[N+](=O)[O-] ZINC000856352272 588870415 /nfs/dbraw/zinc/87/04/15/588870415.db2.gz ZXEFRIFTMYFSKJ-UHFFFAOYSA-N -1 3 244.291 1.670 20 5 BDBDHM O=[N+]([O-])c1ccc([N-]c2ncccn2)cn1 ZINC001203559954 966686893 /nfs/dbraw/zinc/68/68/93/966686893.db2.gz BRERSEXMJVYQNM-UHFFFAOYSA-N -1 3 217.188 1.523 20 5 BDBDHM Nc1nonc1[N-]c1ccc(O)c([N+](=O)[O-])c1 ZINC001210393159 969882694 /nfs/dbraw/zinc/88/26/94/969882694.db2.gz PUPPADYEGWFSGP-UHFFFAOYSA-N -1 3 237.175 1.009 20 5 BDBDHM Cc1cc2[n-]c(OC3COC3)nc2cc1[N+](=O)[O-] ZINC001228673265 976425396 /nfs/dbraw/zinc/42/53/96/976425396.db2.gz DVACYQTVYKCMRF-UHFFFAOYSA-N -1 3 249.226 1.557 20 5 BDBDHM O=c1[n-]ccc(NCCCC2CC2)c1[N+](=O)[O-] ZINC000167299378 346230178 /nfs/dbraw/zinc/23/01/78/346230178.db2.gz DOROLENLDHNIPU-UHFFFAOYSA-N -1 3 237.259 1.885 20 5 BDBDHM O=c1[n-]ccc(N2CCCCC2)c1[N+](=O)[O-] ZINC000596047796 348429523 /nfs/dbraw/zinc/42/95/23/348429523.db2.gz ANKIAHVOOKVCQF-UHFFFAOYSA-N -1 3 223.232 1.686 20 5 BDBDHM CSCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596053311 348433732 /nfs/dbraw/zinc/43/37/32/348433732.db2.gz NBHIZWXVCFKDFZ-UHFFFAOYSA-N -1 3 229.261 1.470 20 5 BDBDHM O=c1[n-]ccc(N[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000596115567 348442404 /nfs/dbraw/zinc/44/24/04/348442404.db2.gz BTEHUOHINMJBAR-SSDOTTSWSA-N -1 3 239.231 1.286 20 5 BDBDHM CC(C)[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596135933 348447811 /nfs/dbraw/zinc/44/78/11/348447811.db2.gz NVIAUVDNJPJYQQ-QMMMGPOBSA-N -1 3 241.247 1.124 20 5 BDBDHM O=c1[n-]ccc(NC2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000596207949 348466310 /nfs/dbraw/zinc/46/63/10/348466310.db2.gz HSNFFYKKSCRODI-UHFFFAOYSA-N -1 3 245.185 1.905 20 5 BDBDHM CC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596236179 348482111 /nfs/dbraw/zinc/48/21/11/348482111.db2.gz JOTWKXMPSBJHTD-SSDOTTSWSA-N -1 3 241.247 1.532 20 5 BDBDHM CC12CC(C1)CN2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596575559 348591950 /nfs/dbraw/zinc/59/19/50/348591950.db2.gz UHNLETQDWOCLHI-UHFFFAOYSA-N -1 3 235.243 1.684 20 5 BDBDHM O=C([N-]c1cnoc1)c1cccc([N+](=O)[O-])c1 ZINC000604542422 358484950 /nfs/dbraw/zinc/48/49/50/358484950.db2.gz UCZQOSRUWNISHQ-UHFFFAOYSA-N -1 3 233.183 1.835 20 5 BDBDHM C[C@H](CNCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000050015785 383889215 /nfs/dbraw/zinc/88/92/15/383889215.db2.gz UYBBCONNIBRKQU-MRVPVSSYSA-N -1 3 238.243 1.405 20 5 BDBDHM CC(C)CO[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000135326104 384434009 /nfs/dbraw/zinc/43/40/09/384434009.db2.gz QKHVUACEROIURE-UHFFFAOYSA-N -1 3 244.272 1.974 20 5 BDBDHM CCO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000298096135 398130228 /nfs/dbraw/zinc/13/02/28/398130228.db2.gz OUHQSRWTJHSDDP-UHFFFAOYSA-N -1 3 224.216 1.205 20 5 BDBDHM CC(C)O[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000295463248 167277760 /nfs/dbraw/zinc/27/77/60/167277760.db2.gz CIKBKOOCPOABDH-UHFFFAOYSA-N -1 3 238.243 1.594 20 5 BDBDHM CC(C)(CCC(=O)[N-]C1=NCCS1)[N+](=O)[O-] ZINC000901153310 584391615 /nfs/dbraw/zinc/39/16/15/584391615.db2.gz CGXIGXAKOMCMTD-UHFFFAOYSA-N -1 3 245.304 1.041 20 5 BDBDHM CC[C@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000751201535 585225814 /nfs/dbraw/zinc/22/58/14/585225814.db2.gz CDRMYTARFMXVDS-SECBINFHSA-N -1 3 240.259 1.161 20 5 BDBDHM O=C([O-])CCNCc1ccc([N+](=O)[O-])cc1F ZINC000310365283 598203965 /nfs/dbraw/zinc/20/39/65/598203965.db2.gz VGJVCOILAWLBMA-UHFFFAOYSA-N -1 3 242.206 1.298 20 5 BDBDHM CCCO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714018211 712477365 /nfs/dbraw/zinc/47/73/65/712477365.db2.gz DVYOPTXYNUQHMI-UHFFFAOYSA-N -1 3 242.206 1.805 20 5 BDBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C1CC1 ZINC001225662031 974630931 /nfs/dbraw/zinc/63/09/31/974630931.db2.gz QEUUGHMSFRUUFU-ZCFIWIBFSA-N -1 3 224.216 1.873 20 5 BDBDHM O=[N+]([O-])C[C@H](Oc1ccnc(=S)[n-]1)C1CC1 ZINC001226940450 975166671 /nfs/dbraw/zinc/16/66/71/975166671.db2.gz RVKQLLPWIBHPIK-ZETCQYMHSA-N -1 3 241.272 1.199 20 5 BDBDHM O=[N+]([O-])C[C@@H](Oc1ccnc(=S)[n-]1)C1CC1 ZINC001226940449 975166864 /nfs/dbraw/zinc/16/68/64/975166864.db2.gz RVKQLLPWIBHPIK-SSDOTTSWSA-N -1 3 241.272 1.199 20 5 BDBDHM CN(Cc1cc[nH]n1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001185346919 980216961 /nfs/dbraw/zinc/21/69/61/980216961.db2.gz RWRJRONVGRKZID-UHFFFAOYSA-N -1 3 249.230 1.055 20 5 BDBDHM Nc1cnncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199818922 983016383 /nfs/dbraw/zinc/01/63/83/983016383.db2.gz HEXSHPDHVSYHAF-UHFFFAOYSA-N -1 3 247.214 1.416 20 5 BDBDHM C[C@@H](O)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596190293 348457788 /nfs/dbraw/zinc/45/77/88/348457788.db2.gz RBERKXKMICUSGH-RNFRBKRXSA-N -1 3 241.247 1.267 20 5 BDBDHM C[C@@H]1CC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596233131 348463256 /nfs/dbraw/zinc/46/32/56/348463256.db2.gz XZVDPJKXEXZIOV-RQJHMYQMSA-N -1 3 223.232 1.906 20 5 BDBDHM O=[N+]([O-])c1ncccc1NCc1ncccc1[O-] ZINC000619501841 358462835 /nfs/dbraw/zinc/46/28/35/358462835.db2.gz DXFVLNRFYZUISV-UHFFFAOYSA-N -1 3 246.226 1.703 20 5 BDBDHM O=[N+]([O-])c1cnccc1NCc1ncccc1[O-] ZINC000340929187 188043812 /nfs/dbraw/zinc/04/38/12/188043812.db2.gz QURDAQUDZZUYSR-UHFFFAOYSA-N -1 3 246.226 1.124 20 5 BDBDHM O=c1[n-]ccc(NCC2CSC2)c1[N+](=O)[O-] ZINC000603414413 371892959 /nfs/dbraw/zinc/89/29/59/371892959.db2.gz RHSXDZRWGBQUIU-UHFFFAOYSA-N -1 3 241.272 1.470 20 5 BDBDHM O=c1[n-]ccc(N2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596182691 388407558 /nfs/dbraw/zinc/40/75/58/388407558.db2.gz FVUYCGNSUISWPJ-UHFFFAOYSA-N -1 3 245.185 1.541 20 5 BDBDHM Cc1nonc1C(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000733874547 643476420 /nfs/dbraw/zinc/47/64/20/643476420.db2.gz ZQJIWCVFRCJFCY-UHFFFAOYSA-N -1 3 248.198 1.539 20 5 BDBDHM O=[N+]([O-])c1cc([N-]c2nnco2)ccc1O ZINC001210392144 969882232 /nfs/dbraw/zinc/88/22/32/969882232.db2.gz CGCZQCCVRGKQOV-UHFFFAOYSA-N -1 3 222.160 1.427 20 5 BDBDHM CC[C@H](COc1nccc([O-])c1[N+](=O)[O-])OC ZINC001225664501 974631652 /nfs/dbraw/zinc/63/16/52/974631652.db2.gz PKSJCLDNZCOODM-SSDOTTSWSA-N -1 3 242.231 1.499 20 5 BDBDHM O=c1[nH]cncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819313 983016997 /nfs/dbraw/zinc/01/69/97/983016997.db2.gz PNYOOTXJBNSIFH-UHFFFAOYSA-N -1 3 248.198 1.540 20 5 BDBDHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ncn1 ZINC000610233702 343933750 /nfs/dbraw/zinc/93/37/50/343933750.db2.gz HMRBPRGOSIMYCY-UHFFFAOYSA-N -1 3 248.198 1.539 20 5 BDBDHM CCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000004130681 343965250 /nfs/dbraw/zinc/96/52/50/343965250.db2.gz ZENKIQMTPMONLY-UHFFFAOYSA-N -1 3 230.245 1.356 20 5 BDBDHM O=c1[n-]ccc(N2C3CCC2CC3)c1[N+](=O)[O-] ZINC000596070088 348437512 /nfs/dbraw/zinc/43/75/12/348437512.db2.gz MTXCKHWRNAXACU-UHFFFAOYSA-N -1 3 235.243 1.827 20 5 BDBDHM C[C@@H]1C[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596078842 348439676 /nfs/dbraw/zinc/43/96/76/348439676.db2.gz VDUBANJJWBBJAN-RNFRBKRXSA-N -1 3 223.232 1.763 20 5 BDBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000596247024 348486841 /nfs/dbraw/zinc/48/68/41/348486841.db2.gz HKDPIWLYXPOECU-BQBZGAKWSA-N -1 3 223.232 1.540 20 5 BDBDHM C[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC000596292755 348489325 /nfs/dbraw/zinc/48/93/25/348489325.db2.gz ROUYAUCYGLHWKM-BQBZGAKWSA-N -1 3 239.231 1.285 20 5 BDBDHM 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249.226 1.373 20 5 BDBDHM Nc1ccc(Nc2cnc[n-]c2=O)cc1[N+](=O)[O-] ZINC001209935156 957571493 /nfs/dbraw/zinc/57/14/93/957571493.db2.gz QTLHDNPSGRDIFW-UHFFFAOYSA-N -1 3 247.214 1.416 20 5 BDBDHM CCc1nnc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001255114745 969942867 /nfs/dbraw/zinc/94/28/67/969942867.db2.gz VAIMTVZGPBGZTF-UHFFFAOYSA-N -1 3 236.187 1.308 20 5 BDBDHM CN1CC[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621142 974603375 /nfs/dbraw/zinc/60/33/75/974603375.db2.gz CHOPSEQNYOPASW-QMMMGPOBSA-N -1 3 238.243 1.383 20 5 BDBDHM O=[N+]([O-])c1cnc(O[C@H]2C=CCC2)c2[n-]cnc21 ZINC001227692076 975617819 /nfs/dbraw/zinc/61/78/19/975617819.db2.gz SSMHUADEMPTKMX-ZETCQYMHSA-N -1 3 246.226 1.964 20 5 BDBDHM Nc1cncc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199815301 983024626 /nfs/dbraw/zinc/02/46/26/983024626.db2.gz ZNORBVQKAJFMIA-UHFFFAOYSA-N -1 3 247.214 1.416 20 5 BDBDHM CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596056425 348434732 /nfs/dbraw/zinc/43/47/32/348434732.db2.gz 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411202722 /nfs/dbraw/zinc/20/27/22/411202722.db2.gz DXAAXLHQAQQVKC-QMMMGPOBSA-N -1 3 238.243 1.500 20 5 BDBDHM Cc1ccnc([N-]c2c[nH]cn2)c1[N+](=O)[O-] ZINC000563772786 323177372 /nfs/dbraw/zinc/17/73/72/323177372.db2.gz PYNQYBPQRIFVLD-UHFFFAOYSA-N -1 3 219.204 1.765 20 5 BDBDHM CC[C@@H](CO)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000751201545 585225884 /nfs/dbraw/zinc/22/58/84/585225884.db2.gz CDRMYTARFMXVDS-VIFPVBQESA-N -1 3 240.259 1.161 20 5 BDBDHM Cc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC000772307176 585612444 /nfs/dbraw/zinc/61/24/44/585612444.db2.gz XCTLAEIYHKMZRY-UHFFFAOYSA-N -1 3 248.198 1.539 20 5 BDBDHM CO[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000025825316 591442300 /nfs/dbraw/zinc/44/23/00/591442300.db2.gz MECVCBSCLQEJBY-UHFFFAOYSA-N -1 3 242.256 1.608 20 5 BDBDHM O=c1[n-]ccc(NC2CSC2)c1[N+](=O)[O-] ZINC000702418283 712052259 /nfs/dbraw/zinc/05/22/59/712052259.db2.gz ADDVLAUFIGXBLH-UHFFFAOYSA-N -1 3 227.245 1.223 20 5 BDBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CC=CC1 ZINC001225666019 974634455 /nfs/dbraw/zinc/63/44/55/974634455.db2.gz FLOAXPZDXMISSM-UHFFFAOYSA-N -1 3 222.200 1.793 20 5 BDBDHM CC(C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603341524 979440358 /nfs/dbraw/zinc/44/03/58/979440358.db2.gz VKRNKHPQIQOQPR-UHFFFAOYSA-N -1 3 248.246 1.595 20 5 BDBDHM Cn1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199802798 983020473 /nfs/dbraw/zinc/02/04/73/983020473.db2.gz YPEWKWVDVMZUJN-UHFFFAOYSA-N -1 3 234.215 1.778 20 5 BDBDHM CCO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000070273361 345573524 /nfs/dbraw/zinc/57/35/24/345573524.db2.gz LADVIPUOBYIQEF-BQYQJAHWSA-N -1 3 236.227 1.676 20 5 BDBDHM COCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596051952 348432876 /nfs/dbraw/zinc/43/28/76/348432876.db2.gz UONBUSMEMHGYPV-UHFFFAOYSA-N -1 3 227.220 1.144 20 5 BDBDHM CSCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596129668 348446777 /nfs/dbraw/zinc/44/67/77/348446777.db2.gz ILHLJFWZEJJAML-UHFFFAOYSA-N -1 3 243.288 1.860 20 5 BDBDHM CC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141737 348449831 /nfs/dbraw/zinc/44/98/31/348449831.db2.gz JUYWNIZJQZGBAI-UHFFFAOYSA-N -1 3 237.259 1.932 20 5 BDBDHM C[C@@H]1[C@@H](C)CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596148806 348452236 /nfs/dbraw/zinc/45/22/36/348452236.db2.gz GIWMSLKJAZHPMU-JGVFFNPUSA-N -1 3 237.259 1.930 20 5 BDBDHM O=c1[n-]ccc(N2CC[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000596254422 348475402 /nfs/dbraw/zinc/47/54/02/348475402.db2.gz CTQDMVYWGPLIQH-ZCFIWIBFSA-N -1 3 245.185 1.539 20 5 BDBDHM CO[C@@]1(C)C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596540963 348583024 /nfs/dbraw/zinc/58/30/24/348583024.db2.gz VZRUFVUECGZUDI-XCBNKYQSSA-N -1 3 239.231 1.285 20 5 BDBDHM O=c1[n-]ccc(NCC(F)(F)F)c1[N+](=O)[O-] ZINC000599028240 349078961 /nfs/dbraw/zinc/07/89/61/349078961.db2.gz RYZREWATYXNQPB-UHFFFAOYSA-N -1 3 237.137 1.670 20 5 BDBDHM CC(C)(F)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000601205998 371736863 /nfs/dbraw/zinc/73/68/63/371736863.db2.gz LLMHAZADKPHILD-UHFFFAOYSA-N -1 3 229.211 1.855 20 5 BDBDHM 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CCO[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714042449 963578369 /nfs/dbraw/zinc/57/83/69/963578369.db2.gz XGPBHAIHLJKQFD-UHFFFAOYSA-N -1 3 228.179 1.415 20 5 BDBDHM O=c1[n-]cncc1Nc1ccccc1[N+](=O)[O-] ZINC001206150449 968094993 /nfs/dbraw/zinc/09/49/93/968094993.db2.gz ULGVXLIITFWFMZ-UHFFFAOYSA-N -1 3 232.199 1.834 20 5 BDBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3CCO3)[n-]c2c1 ZINC001227746831 975672451 /nfs/dbraw/zinc/67/24/51/975672451.db2.gz VVYHGTSTWOBJSV-QMMMGPOBSA-N -1 3 249.226 1.639 20 5 BDBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3CCO3)nc2c1 ZINC001227746831 975672461 /nfs/dbraw/zinc/67/24/61/975672461.db2.gz VVYHGTSTWOBJSV-QMMMGPOBSA-N -1 3 249.226 1.639 20 5 BDBDHM CCC(CC)(C(=O)[O-])C(=O)OCC(C)[N+](=O)[O-] ZINC001589481282 982811800 /nfs/dbraw/zinc/81/18/00/982811800.db2.gz RZGUNDIURCYRSY-ZETCQYMHSA-N -1 3 247.247 1.086 20 5 BDBDHM O=c1[nH]nccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819401 983017113 /nfs/dbraw/zinc/01/71/13/983017113.db2.gz QJMSXAVCBKNYTB-UHFFFAOYSA-N -1 3 248.198 1.540 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223.232 1.684 20 5 BDBDHM O=c1[n-]ccc(NCC2(O)CCC2)c1[N+](=O)[O-] ZINC000596121139 348454122 /nfs/dbraw/zinc/45/41/22/348454122.db2.gz LDPJNQRIGXUDGF-UHFFFAOYSA-N -1 3 239.231 1.022 20 5 BDBDHM C[C@H](O)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596215169 348468021 /nfs/dbraw/zinc/46/80/21/348468021.db2.gz RHODVXKUPLQQFA-ZETCQYMHSA-N -1 3 241.247 1.268 20 5 BDBDHM C[C@@H](O)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596215167 348468151 /nfs/dbraw/zinc/46/81/51/348468151.db2.gz RHODVXKUPLQQFA-SSDOTTSWSA-N -1 3 241.247 1.268 20 5 BDBDHM O=c1[n-]ccc(N2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000596230400 348471839 /nfs/dbraw/zinc/47/18/39/348471839.db2.gz KDACEFFYXUVAEF-APPZFPTMSA-N -1 3 235.243 1.684 20 5 BDBDHM CN(CCF)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000601170206 371734865 /nfs/dbraw/zinc/73/48/65/371734865.db2.gz YRDOMLYPVVLASJ-UHFFFAOYSA-N -1 3 215.184 1.101 20 5 BDBDHM Cc1conc1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000362409152 384206614 /nfs/dbraw/zinc/20/66/14/384206614.db2.gz CXATUXFDAWQLMN-UHFFFAOYSA-N -1 3 247.210 1.565 20 5 BDBDHM NC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCC1 ZINC000414630043 387540442 /nfs/dbraw/zinc/54/04/42/387540442.db2.gz SQEYFKTXLPGXEX-UHFFFAOYSA-N -1 3 249.230 1.311 20 5 BDBDHM O=c1[n-]ccc(NC2CC=CC2)c1[N+](=O)[O-] ZINC000596159069 388406845 /nfs/dbraw/zinc/40/68/45/388406845.db2.gz FRJXYYADHLMESI-UHFFFAOYSA-N -1 3 221.216 1.826 20 5 BDBDHM O=c1[n-]ccc(N2CCC(F)CC2)c1[N+](=O)[O-] ZINC000882804516 591445270 /nfs/dbraw/zinc/44/52/70/591445270.db2.gz KMTONQQPGCKBBB-UHFFFAOYSA-N -1 3 241.222 1.634 20 5 BDBDHM O=C([N-]OC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839730240 644630789 /nfs/dbraw/zinc/63/07/89/644630789.db2.gz IFPHGNPKDAVXLW-RKDXNWHRSA-N -1 3 228.248 1.032 20 5 BDBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3C[C@@H](O)C3)[n-]c2c1 ZINC001218417615 971791812 /nfs/dbraw/zinc/79/18/12/971791812.db2.gz PEWHXSJWFACUOP-OCAPTIKFSA-N -1 3 249.226 1.373 20 5 BDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3C[C@@H](O)C3)nc2c1 ZINC001218417615 971791814 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348484580 /nfs/dbraw/zinc/48/45/80/348484580.db2.gz OCUNNLYRRJTTDY-UHFFFAOYSA-N -1 3 237.259 1.932 20 5 BDBDHM O=c1[n-]ccc(N2CC(C3CC3)C2)c1[N+](=O)[O-] ZINC000596241570 348484806 /nfs/dbraw/zinc/48/48/06/348484806.db2.gz FPXWVHDHGLSHRG-UHFFFAOYSA-N -1 3 235.243 1.542 20 5 BDBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000596280953 348487480 /nfs/dbraw/zinc/48/74/80/348487480.db2.gz GIDNPJJQTHWVDT-RNLVFQAGSA-N -1 3 235.243 1.906 20 5 BDBDHM CCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596094288 348445004 /nfs/dbraw/zinc/44/50/04/348445004.db2.gz JONJKDPLCBHGDX-UHFFFAOYSA-N -1 3 211.221 1.542 20 5 BDBDHM C[C@@H](O)[C@H](C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596142518 348449790 /nfs/dbraw/zinc/44/97/90/348449790.db2.gz MYWWUKBBPMATMC-RITPCOANSA-N -1 3 244.272 1.557 20 5 BDBDHM C[C@@H](CCCO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596157528 348459064 /nfs/dbraw/zinc/45/90/64/348459064.db2.gz XEXNCENPGFRZHB-ZETCQYMHSA-N -1 3 241.247 1.268 20 5 BDBDHM 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Cn1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199802465 983019229 /nfs/dbraw/zinc/01/92/29/983019229.db2.gz QLFVJBGUTGSMPY-UHFFFAOYSA-N -1 3 234.215 1.778 20 5 BDBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccncn2)c1 ZINC001199802437 983020594 /nfs/dbraw/zinc/02/05/94/983020594.db2.gz PCEOGGNMEKFXMS-UHFFFAOYSA-N -1 3 232.199 1.834 20 5 BDBDHM Nc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199814671 983023148 /nfs/dbraw/zinc/02/31/48/983023148.db2.gz MXQMYHCRJCYZNK-UHFFFAOYSA-N -1 3 247.214 1.416 20 5 BDBDHM Cc1ccc(CNCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000037252396 361782385 /nfs/dbraw/zinc/78/23/85/361782385.db2.gz YPHNMFWRLSINSS-UHFFFAOYSA-N -1 3 238.243 1.468 20 5 BDBDHM Cc1co[n-]c1=NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000610944477 344193354 /nfs/dbraw/zinc/19/33/54/344193354.db2.gz CFZYCEZSUPYSMU-UHFFFAOYSA-N -1 3 237.171 1.158 20 5 BDBDHM O=c1[n-]ccc(NCC2CC2)c1[N+](=O)[O-] ZINC000167105027 346192720 /nfs/dbraw/zinc/19/27/20/346192720.db2.gz NRIMAZFOVFNVNJ-UHFFFAOYSA-N -1 3 209.205 1.105 20 5 BDBDHM O=c1[n-]ccc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000596051458 348433495 /nfs/dbraw/zinc/43/34/95/348433495.db2.gz RSKACLVKJVMKQI-SSDOTTSWSA-N -1 3 239.231 1.286 20 5 BDBDHM C[C@@H](O)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596190292 348457791 /nfs/dbraw/zinc/45/77/91/348457791.db2.gz RBERKXKMICUSGH-NKWVEPMBSA-N -1 3 241.247 1.267 20 5 BDBDHM CC[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596160935 348459486 /nfs/dbraw/zinc/45/94/86/348459486.db2.gz ACIXSVBILBXWHQ-MRVPVSSYSA-N -1 3 237.259 1.932 20 5 BDBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)[O-] ZINC000086725836 352546817 /nfs/dbraw/zinc/54/68/17/352546817.db2.gz UCWVHTAMOAOXKD-QMMMGPOBSA-N -1 3 238.243 1.672 20 5 BDBDHM Cn1cnc([N+](=O)[O-])c1NCc1ncccc1[O-] ZINC000359895638 384456231 /nfs/dbraw/zinc/45/62/31/384456231.db2.gz FCQLZKCOSHMOKE-UHFFFAOYSA-N -1 3 249.230 1.041 20 5 BDBDHM CC(=O)[N-]O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180805234 384792226 /nfs/dbraw/zinc/79/22/26/384792226.db2.gz QRHQECHUGOTAED-ZETCQYMHSA-N -1 3 224.216 1.724 20 5 BDBDHM C[C@@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000054070408 388023436 /nfs/dbraw/zinc/02/34/36/388023436.db2.gz QREBIJNFBCOKFP-QMMMGPOBSA-N -1 3 238.243 1.500 20 5 BDBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)[O-] ZINC000106036013 176019482 /nfs/dbraw/zinc/01/94/82/176019482.db2.gz KLJWHTSWOQVADH-QMMMGPOBSA-N -1 3 238.243 1.672 20 5 BDBDHM CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758334266 585353900 /nfs/dbraw/zinc/35/39/00/585353900.db2.gz DHIBFQXGGVJGBZ-UHFFFAOYSA-N -1 3 229.167 1.417 20 5 BDBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1cnn[n-]1 ZINC000805606099 585733105 /nfs/dbraw/zinc/73/31/05/585733105.db2.gz STOHZPQLUFCQTC-UHFFFAOYSA-N -1 3 248.198 1.070 20 5 BDBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1c[n-]nn1 ZINC000805606099 585733106 /nfs/dbraw/zinc/73/31/06/585733106.db2.gz STOHZPQLUFCQTC-UHFFFAOYSA-N -1 3 248.198 1.070 20 5 BDBDHM CO[N-]C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000813403577 586601846 /nfs/dbraw/zinc/60/18/46/586601846.db2.gz DVQFHPMVCXBSHS-UHFFFAOYSA-N -1 3 246.169 1.093 20 5 BDBDHM CC[C@H](C)CO[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000832732909 587681007 /nfs/dbraw/zinc/68/10/07/587681007.db2.gz NLTPIYPYCRNZKN-LURJTMIESA-N -1 3 242.235 1.025 20 5 BDBDHM CCCO[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000844082803 588162129 /nfs/dbraw/zinc/16/21/29/588162129.db2.gz HQKMKGDOKZQZAC-UHFFFAOYSA-N -1 3 242.206 1.805 20 5 BDBDHM CCO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173023670 641142212 /nfs/dbraw/zinc/14/22/12/641142212.db2.gz BBPRKABZUQVCIP-UHFFFAOYSA-N -1 3 224.216 1.205 20 5 BDBDHM O=[N+]([O-])c1cnc(NCc2ncccc2[O-])cn1 ZINC001169732865 969838209 /nfs/dbraw/zinc/83/82/09/969838209.db2.gz OUTPIBGDZYBXQK-UHFFFAOYSA-N -1 3 247.214 1.098 20 5 BDBDHM Cn1cncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394187 969881755 /nfs/dbraw/zinc/88/17/55/969881755.db2.gz QZSZWQZVHHSGAD-UHFFFAOYSA-N -1 3 234.215 1.778 20 5 BDBDHM CN1CC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225621139 974601781 /nfs/dbraw/zinc/60/17/81/974601781.db2.gz CHOPSEQNYOPASW-MRVPVSSYSA-N -1 3 238.243 1.383 20 5 BDBDHM CO[C@H](C)COc1nccc([O-])c1[N+](=O)[O-] ZINC001225666685 974633804 /nfs/dbraw/zinc/63/38/04/974633804.db2.gz KYOBDKQSFGGOOL-ZCFIWIBFSA-N -1 3 228.204 1.109 20 5 BDBDHM CN1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398678 976863217 /nfs/dbraw/zinc/86/32/17/976863217.db2.gz YBKKXYRDLLDMJX-SECBINFHSA-N -1 3 238.243 1.383 20 5 BDBDHM Cc1c([N-]c2nn(C)cc2[N+](=O)[O-])cnn1C ZINC001458252440 985280127 /nfs/dbraw/zinc/28/01/27/985280127.db2.gz FJVDVMBOFNHAIJ-UHFFFAOYSA-N -1 3 236.235 1.114 20 5 BDBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2ccon2)n1 ZINC001529729878 990358435 /nfs/dbraw/zinc/35/84/35/990358435.db2.gz DUZORWJMBVVMLV-UHFFFAOYSA-N -1 3 248.198 1.539 20 5 BDBDHM C[C@@H](F)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596243646 348485169 /nfs/dbraw/zinc/48/51/69/348485169.db2.gz KTZSMJVMJCWZJY-ZCFIWIBFSA-N -1 3 229.211 1.855 20 5 BDBDHM C[C@H]1CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596087939 348443832 /nfs/dbraw/zinc/44/38/32/348443832.db2.gz LPSOGJHHXOZDHA-LURJTMIESA-N -1 3 209.205 1.294 20 5 BDBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000596148807 348452078 /nfs/dbraw/zinc/45/20/78/348452078.db2.gz GIWMSLKJAZHPMU-SFYZADRCSA-N -1 3 237.259 1.930 20 5 BDBDHM O=c1[n-]ccc(N2CCCCO2)c1[N+](=O)[O-] ZINC000596205055 348465910 /nfs/dbraw/zinc/46/59/10/348465910.db2.gz YQWCAEPCPDGOJM-UHFFFAOYSA-N -1 3 225.204 1.227 20 5 BDBDHM Cc1n[nH]cc1[N-]c1ncccc1[N+](=O)[O-] ZINC000049469726 358690188 /nfs/dbraw/zinc/69/01/88/358690188.db2.gz URPFLSHAQLBYSU-UHFFFAOYSA-N -1 3 219.204 1.765 20 5 BDBDHM O=C(Nc1cccc([O-])c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000020214341 182371931 /nfs/dbraw/zinc/37/19/31/182371931.db2.gz QXDKKLVEERZZJG-UHFFFAOYSA-N -1 3 247.210 1.881 20 5 BDBDHM C[C@@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000054070415 388023154 /nfs/dbraw/zinc/02/31/54/388023154.db2.gz ZGDBWHCPVPKLJU-QMMMGPOBSA-N -1 3 238.243 1.500 20 5 BDBDHM CO[N-]C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000785146313 585871099 /nfs/dbraw/zinc/87/10/99/585871099.db2.gz UWUQQGCBIHEELD-BQYQJAHWSA-N -1 3 236.227 1.676 20 5 BDBDHM CC[C@@H](C)CO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832733666 587680994 /nfs/dbraw/zinc/68/09/94/587680994.db2.gz VENWJXCNYRCPHH-SECBINFHSA-N -1 3 246.307 1.916 20 5 BDBDHM CCCO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844090294 588166461 /nfs/dbraw/zinc/16/64/61/588166461.db2.gz LBGZVAOADZRONG-UHFFFAOYSA-N -1 3 218.253 1.280 20 5 BDBDHM CC(=O)[N-]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000132130244 591689485 /nfs/dbraw/zinc/68/94/85/591689485.db2.gz MMDSBVUILANQQM-UHFFFAOYSA-N -1 3 244.634 1.816 20 5 BDBDHM C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000310363465 598204959 /nfs/dbraw/zinc/20/49/59/598204959.db2.gz UPAYLNMKYXHUPS-LURJTMIESA-N -1 3 242.206 1.297 20 5 BDBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCOC3)[n-]c2c1 ZINC001227740893 975668032 /nfs/dbraw/zinc/66/80/32/975668032.db2.gz CBRHRZDLWRTAFP-MRVPVSSYSA-N -1 3 249.226 1.639 20 5 BDBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCOC3)nc2c1 ZINC001227740893 975668045 /nfs/dbraw/zinc/66/80/45/975668045.db2.gz CBRHRZDLWRTAFP-MRVPVSSYSA-N -1 3 249.226 1.639 20 5 BDBDHM O=[N+]([O-])c1ccc(Nc2cncc([O-])c2)cn1 ZINC001203566759 979830019 /nfs/dbraw/zinc/83/00/19/979830019.db2.gz OGLRJWWSGRZJLI-UHFFFAOYSA-N -1 3 232.199 1.834 20 5 BDBDHM CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590747261 982981259 /nfs/dbraw/zinc/98/12/59/982981259.db2.gz XPCODNAHDXUOCD-UHFFFAOYSA-N -1 3 234.219 1.207 20 5 BDBDHM CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590747261 982981282 /nfs/dbraw/zinc/98/12/82/982981282.db2.gz XPCODNAHDXUOCD-UHFFFAOYSA-N -1 3 234.219 1.207 20 5 BDBDHM CC(C)(C)O[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001117795127 987920367 /nfs/dbraw/zinc/92/03/67/987920367.db2.gz QTEUAUKOVMUUSD-UHFFFAOYSA-N -1 3 232.280 1.668 20 5 BDBDHM O=c1[n-]ccc(NCC2CCC2)c1[N+](=O)[O-] ZINC000596079385 348439510 /nfs/dbraw/zinc/43/95/10/348439510.db2.gz PQFDKBYNZWVZPS-UHFFFAOYSA-N -1 3 223.232 1.907 20 5 BDBDHM C[C@@H](CO)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596134919 348447838 /nfs/dbraw/zinc/44/78/38/348447838.db2.gz BAZHPINBVYJTQB-NKWVEPMBSA-N -1 3 241.247 1.124 20 5 BDBDHM C[C@@H](CCO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596140614 348449564 /nfs/dbraw/zinc/44/95/64/348449564.db2.gz CEHHZCFZNUFQNE-ZETCQYMHSA-N -1 3 241.247 1.126 20 5 BDBDHM C[C@@H](CO)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596140517 348449879 /nfs/dbraw/zinc/44/98/79/348449879.db2.gz ZDQXOJOFVAAALE-LURJTMIESA-N -1 3 244.272 1.416 20 5 BDBDHM O=c1[n-]ccc(N2C[C@@H]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596157244 348458438 /nfs/dbraw/zinc/45/84/38/348458438.db2.gz RKALKVYAXXNSNK-IUCAKERBSA-N -1 3 249.270 1.932 20 5 BDBDHM O=c1[n-]ccc(N2C[C@@H]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596157243 348458789 /nfs/dbraw/zinc/45/87/89/348458789.db2.gz RKALKVYAXXNSNK-DTORHVGOSA-N -1 3 249.270 1.932 20 5 BDBDHM Cn1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000035781704 359371337 /nfs/dbraw/zinc/37/13/37/359371337.db2.gz CYNLARAPFLIFQE-UHFFFAOYSA-N -1 3 219.204 1.467 20 5 BDBDHM O=[N+]([O-])c1cnc([N-]c2c[nH]cn2)s1 ZINC000559588409 322978408 /nfs/dbraw/zinc/97/84/08/322978408.db2.gz ARMXETLUNWADMN-UHFFFAOYSA-N -1 3 211.206 1.518 20 5 BDBDHM