smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(Cc2n[n-]c(=O)s2)cc1[N+](=O)[O-] ZINC000570726939 323068797 /nfs/dbraw/zinc/06/87/97/323068797.db2.gz NWYABHHEGCOECN-UHFFFAOYSA-N -1 3 241.232 0.705 20 5 BCBDHM O=c1[n-]ccc(NCCOCCO)c1[N+](=O)[O-] ZINC000596051179 348432438 /nfs/dbraw/zinc/43/24/38/348432438.db2.gz VASQABNAEIKQNA-UHFFFAOYSA-N -1 3 243.219 0.116 20 5 BCBDHM O=C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596070944 348438259 /nfs/dbraw/zinc/43/82/59/348438259.db2.gz IWWYVLGPIGNMAE-UHFFFAOYSA-N -1 3 237.215 0.865 20 5 BCBDHM C[C@H](O)CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596137584 348448155 /nfs/dbraw/zinc/44/81/55/348448155.db2.gz MODJQHRAOCOIIB-ZETCQYMHSA-N -1 3 241.247 0.903 20 5 BCBDHM C[C@@]1(O)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596151545 348453704 /nfs/dbraw/zinc/45/37/04/348453704.db2.gz RPTWXJCKDWUAOL-SNVBAGLBSA-N -1 3 239.231 0.657 20 5 BCBDHM CN(C)C1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596178119 348454782 /nfs/dbraw/zinc/45/47/82/348454782.db2.gz ICQZGEFBGQDYME-UHFFFAOYSA-N -1 3 238.247 0.446 20 5 BCBDHM O=c1[n-]ccc(N[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000596173035 348461425 /nfs/dbraw/zinc/46/14/25/348461425.db2.gz PCCGUKJEANEVGC-ZCFIWIBFSA-N -1 3 225.204 0.896 20 5 BCBDHM CCC1(O)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596200572 348464590 /nfs/dbraw/zinc/46/45/90/348464590.db2.gz PXVGOOMENALOKV-UHFFFAOYSA-N -1 3 239.231 0.657 20 5 BCBDHM O=c1[n-]ccc(N[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000596262466 348478893 /nfs/dbraw/zinc/47/88/93/348478893.db2.gz WHIQNEJYVFFFSP-OLQVQODUSA-N -1 3 225.204 0.631 20 5 BCBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCF)cc1 ZINC000435624045 201278584 /nfs/dbraw/zinc/27/85/84/201278584.db2.gz BOYBDEGTVYFARV-UHFFFAOYSA-N -1 3 248.235 0.843 20 5 BCBDHM O=[N+]([O-])c1cn(Cc2nnn[n-]2)nc1C1CC1 ZINC000436196525 201313877 /nfs/dbraw/zinc/31/38/77/201313877.db2.gz HULBKPQCMAIJKF-UHFFFAOYSA-N -1 3 235.207 0.230 20 5 BCBDHM O=[N+]([O-])c1cn(Cc2nn[n-]n2)nc1C1CC1 ZINC000436196525 201313880 /nfs/dbraw/zinc/31/38/80/201313880.db2.gz HULBKPQCMAIJKF-UHFFFAOYSA-N -1 3 235.207 0.230 20 5 BCBDHM O=c1cc(Cn2cc([N+](=O)[O-])cn2)occ1[O-] ZINC000077931697 370507338 /nfs/dbraw/zinc/50/73/38/370507338.db2.gz CMPAHBCKCRPQIL-UHFFFAOYSA-N -1 3 237.171 0.498 20 5 BCBDHM Nc1nc([N-]c2cn[nH]c2)ncc1[N+](=O)[O-] ZINC000301180355 388672467 /nfs/dbraw/zinc/67/24/67/388672467.db2.gz YYILFOIWJJGSJP-UHFFFAOYSA-N -1 3 221.180 0.434 20 5 BCBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CCF)c1 ZINC000280486257 388784169 /nfs/dbraw/zinc/78/41/69/388784169.db2.gz APDMKLQYDYYXDC-UHFFFAOYSA-N -1 3 248.235 0.843 20 5 BCBDHM COC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853320439 588732460 /nfs/dbraw/zinc/73/24/60/588732460.db2.gz AFETUWSFINAIIC-UHFFFAOYSA-N -1 3 225.204 0.530 20 5 BCBDHM O=C([N-]OCC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000856343801 588868335 /nfs/dbraw/zinc/86/83/35/588868335.db2.gz ADKPJRUYTJETAZ-HTQZYQBOSA-N -1 3 214.221 0.500 20 5 BCBDHM CC(C)(O)CO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000839745484 585340045 /nfs/dbraw/zinc/34/00/45/585340045.db2.gz NVINENVJZPBZGI-UHFFFAOYSA-N -1 3 248.279 0.641 20 5 BCBDHM Cc1cc(=O)[n-]c(Cn2cnc([N+](=O)[O-])c2)n1 ZINC000761866225 585420788 /nfs/dbraw/zinc/42/07/88/585420788.db2.gz YJBFXMUIHFURSI-UHFFFAOYSA-N -1 3 235.203 0.644 20 5 BCBDHM O=C([N-]OCCC1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000817379563 586799568 /nfs/dbraw/zinc/79/95/68/586799568.db2.gz SIHMILMGQMSRKA-UHFFFAOYSA-N -1 3 240.219 0.779 20 5 BCBDHM CCO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822342025 587163531 /nfs/dbraw/zinc/16/35/31/587163531.db2.gz NYCIQVNFGZKCLI-UHFFFAOYSA-N -1 3 204.226 0.890 20 5 BCBDHM COCCO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826665564 587358630 /nfs/dbraw/zinc/35/86/30/587358630.db2.gz UUCPHMBXUWDVJN-UHFFFAOYSA-N -1 3 234.252 0.516 20 5 BCBDHM CC(C)(CO)O[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000836805504 587838062 /nfs/dbraw/zinc/83/80/62/587838062.db2.gz CAWYYNCOWQWHCL-UHFFFAOYSA-N -1 3 248.279 0.641 20 5 BCBDHM CCCO[N-]C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000844084424 588163050 /nfs/dbraw/zinc/16/30/50/588163050.db2.gz PIAAKLOPCZHIQF-UHFFFAOYSA-N -1 3 242.235 0.952 20 5 BCBDHM CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000034563270 635626666 /nfs/dbraw/zinc/62/66/66/635626666.db2.gz OOVXVBUFSJVKJR-UHFFFAOYSA-N -1 3 210.189 0.815 20 5 BCBDHM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n[nH]1 ZINC000112703236 398147581 /nfs/dbraw/zinc/14/75/81/398147581.db2.gz LJGHYAYJNWEEQO-UHFFFAOYSA-N -1 3 236.191 0.602 20 5 BCBDHM Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)[nH]1 ZINC000112703236 398147584 /nfs/dbraw/zinc/14/75/84/398147584.db2.gz LJGHYAYJNWEEQO-UHFFFAOYSA-N -1 3 236.191 0.602 20 5 BCBDHM C[C@@H](CC(N)=O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596137084 348448572 /nfs/dbraw/zinc/44/85/72/348448572.db2.gz PWGXJPWCSFGPNQ-YFKPBYRVSA-N -1 3 240.219 0.371 20 5 BCBDHM CO[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596152573 348453693 /nfs/dbraw/zinc/45/36/93/348453693.db2.gz YQZCYVGKUOQFSS-ZETCQYMHSA-N -1 3 239.231 0.921 20 5 BCBDHM CC[C@H](CO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596185422 348455996 /nfs/dbraw/zinc/45/59/96/348455996.db2.gz LKNHANQSXSXRQX-ZCFIWIBFSA-N -1 3 227.220 0.878 20 5 BCBDHM CCOC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596251589 348474066 /nfs/dbraw/zinc/47/40/66/348474066.db2.gz YJDNXYGJFBHGCJ-UHFFFAOYSA-N -1 3 239.231 0.921 20 5 BCBDHM NC(=O)c1ccnc([N-]c2cn[nH]c2)c1[N+](=O)[O-] ZINC000357302548 181307084 /nfs/dbraw/zinc/30/70/84/181307084.db2.gz MWDGZZIVFAEQFT-UHFFFAOYSA-N -1 3 248.202 0.555 20 5 BCBDHM CC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000144353674 388111530 /nfs/dbraw/zinc/11/15/30/388111530.db2.gz BCJNTVDFSYKCFB-ZETCQYMHSA-N -1 3 239.231 0.976 20 5 BCBDHM O=c1[n-]ccc(N2CCCOCC2)c1[N+](=O)[O-] ZINC000596114382 388404250 /nfs/dbraw/zinc/40/42/50/388404250.db2.gz AYJZBVUUPSXEEU-UHFFFAOYSA-N -1 3 239.231 0.922 20 5 BCBDHM O=c1[n-]nc(Cn2cc([N+](=O)[O-])cn2)s1 ZINC000554397198 388622622 /nfs/dbraw/zinc/62/26/22/388622622.db2.gz UXBIPCZBVWAMMX-UHFFFAOYSA-N -1 3 227.205 0.397 20 5 BCBDHM O=C([N-]Oc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000854536878 588791791 /nfs/dbraw/zinc/79/17/91/588791791.db2.gz XTXYRTMNZWIIGI-RKDXNWHRSA-N -1 3 222.200 0.762 20 5 BCBDHM CSCCO[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839750211 585340476 /nfs/dbraw/zinc/34/04/76/585340476.db2.gz LPFNGXRCLANGTD-PHDIDXHHSA-N -1 3 220.250 0.062 20 5 BCBDHM CO[N-]C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000771250111 585591848 /nfs/dbraw/zinc/59/18/48/585591848.db2.gz KUFFAVDEWCNKGL-UHFFFAOYSA-N -1 3 228.208 0.733 20 5 BCBDHM CC(COC(=O)c1ccc([N+](=O)[O-])[n-]1)[N+](=O)[O-] ZINC000813106305 586592707 /nfs/dbraw/zinc/59/27/07/586592707.db2.gz AHMCKRMZOKYZAT-YFKPBYRVSA-N -1 3 243.175 0.745 20 5 BCBDHM COCCO[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000135143006 591991592 /nfs/dbraw/zinc/99/15/92/591991592.db2.gz RBXUMVWQXFCLCR-UHFFFAOYSA-N -1 3 246.244 0.964 20 5 BCBDHM CO[N-]C(=O)CNCc1ccccc1[N+](=O)[O-] ZINC000922829461 644105209 /nfs/dbraw/zinc/10/52/09/644105209.db2.gz GNXSBGDOEXUELL-UHFFFAOYSA-N -1 3 239.231 0.362 20 5 BCBDHM O=c1[n-]ccc(NCC2(CO)CC2)c1[N+](=O)[O-] ZINC000596148796 348452106 /nfs/dbraw/zinc/45/21/06/348452106.db2.gz MOEYKPZEBVERHJ-UHFFFAOYSA-N -1 3 239.231 0.880 20 5 BCBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1O ZINC000596177765 348463031 /nfs/dbraw/zinc/46/30/31/348463031.db2.gz GBFSTWPYMCQTGX-XPUUQOCRSA-N -1 3 239.231 0.512 20 5 BCBDHM O=c1[n-]ccc(N[C@H]2C[C@H](O)C2)c1[N+](=O)[O-] ZINC000596557113 348578936 /nfs/dbraw/zinc/57/89/36/348578936.db2.gz WHIQNEJYVFFFSP-IZLXSQMJSA-N -1 3 225.204 0.631 20 5 BCBDHM CC[C@H](N)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000583563198 355613226 /nfs/dbraw/zinc/61/32/26/355613226.db2.gz HGMWRSIJBWKTIX-ZETCQYMHSA-N -1 3 239.231 0.976 20 5 BCBDHM O=C(Nc1cc[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187016248 384152811 /nfs/dbraw/zinc/15/28/11/384152811.db2.gz QYBANFNERUXBNM-UHFFFAOYSA-N -1 3 249.186 0.671 20 5 BCBDHM CC(C)(O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596110893 388404533 /nfs/dbraw/zinc/40/45/33/388404533.db2.gz SBMSOGAUEHSBSN-UHFFFAOYSA-N -1 3 227.220 0.878 20 5 BCBDHM O=c1[n-]ccc(N2CC(F)C2)c1[N+](=O)[O-] ZINC000596191528 388408509 /nfs/dbraw/zinc/40/85/09/388408509.db2.gz WMTAPMJESGEKMI-UHFFFAOYSA-N -1 3 213.168 0.854 20 5 BCBDHM O=[N+]([O-])c1ncccc1[N-]c1ccn(CCO)n1 ZINC000610277262 411684999 /nfs/dbraw/zinc/68/49/99/411684999.db2.gz JPSCRJMJUVZZGP-UHFFFAOYSA-N -1 3 249.230 0.922 20 5 BCBDHM CO[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853406315 588741659 /nfs/dbraw/zinc/74/16/59/588741659.db2.gz YQZCYVGKUOQFSS-SSDOTTSWSA-N -1 3 239.231 0.921 20 5 BCBDHM Cc1cc(=O)[n-]c(Cn2cnc([N+](=O)[O-])n2)n1 ZINC000754451693 585284594 /nfs/dbraw/zinc/28/45/94/585284594.db2.gz PXJXSVXHFOSGKT-UHFFFAOYSA-N -1 3 236.191 0.039 20 5 BCBDHM O=C([N-]OCCO)c1cc(F)ccc1[N+](=O)[O-] ZINC000787299564 585906217 /nfs/dbraw/zinc/90/62/17/585906217.db2.gz JPKIAAOWHKIFJD-UHFFFAOYSA-N -1 3 244.178 0.388 20 5 BCBDHM CO[N-]C(=O)CNCc1cccc([N+](=O)[O-])c1 ZINC000922830265 644115079 /nfs/dbraw/zinc/11/50/79/644115079.db2.gz RVBZHKPJGDCJLM-UHFFFAOYSA-N -1 3 239.231 0.362 20 5 BCBDHM O=c1[n-]ccc(N2CCOCC2)c1[N+](=O)[O-] ZINC000596051409 348433183 /nfs/dbraw/zinc/43/31/83/348433183.db2.gz RBQGRXZTSSQRMY-UHFFFAOYSA-N -1 3 225.204 0.532 20 5 BCBDHM CN(CC(C)(C)O)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596130482 348446866 /nfs/dbraw/zinc/44/68/66/348446866.db2.gz YNUNOXSXENIALQ-UHFFFAOYSA-N -1 3 241.247 0.903 20 5 BCBDHM O=c1[n-]ccc(NC[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599173462 349112122 /nfs/dbraw/zinc/11/21/22/349112122.db2.gz APOKYBKXCCBGNT-KNVOCYPGSA-N -1 3 239.231 0.878 20 5 BCBDHM C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601282968 371744885 /nfs/dbraw/zinc/74/48/85/371744885.db2.gz KLCIZGBDTGXEGX-UHFFFAOYSA-N -1 3 236.274 0.873 20 5 BCBDHM O=c1[n-]ccc(NC[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000596111781 388404445 /nfs/dbraw/zinc/40/44/45/388404445.db2.gz DKOKRETXUCROTA-QMMMGPOBSA-N -1 3 239.231 0.878 20 5 BCBDHM O=C1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC000853639689 588751524 /nfs/dbraw/zinc/75/15/24/588751524.db2.gz QYDWHLAJQAKWTC-YFKPBYRVSA-N -1 3 239.187 0.423 20 5 BCBDHM CC(=O)[N-]OCc1onc(C)c1[N+](=O)[O-] ZINC000853660488 588753284 /nfs/dbraw/zinc/75/32/84/588753284.db2.gz AKIOBBOMRLTQEL-UHFFFAOYSA-N -1 3 215.165 0.459 20 5 BCBDHM O=c1[n-]ccc(NC[C@H]2COCO2)c1[N+](=O)[O-] ZINC000853687946 588756655 /nfs/dbraw/zinc/75/66/55/588756655.db2.gz ZTDHLFDNTDBSRJ-LURJTMIESA-N -1 3 241.203 0.480 20 5 BCBDHM O=C([N-]OCC1CCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000856349695 588869490 /nfs/dbraw/zinc/86/94/90/588869490.db2.gz BLQBJVLSOYDBOY-UHFFFAOYSA-N -1 3 240.219 0.779 20 5 BCBDHM O=C([N-]OC1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000801639846 586267479 /nfs/dbraw/zinc/26/74/79/586267479.db2.gz FGGKSTCGBABKDW-UHFFFAOYSA-N -1 3 240.219 0.922 20 5 BCBDHM Cc1nn(Cc2nc(C)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000829602365 587505247 /nfs/dbraw/zinc/50/52/47/587505247.db2.gz SYBYIPKISCOHKC-UHFFFAOYSA-N -1 3 249.230 0.952 20 5 BCBDHM CCCO[N-]C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848238335 588366624 /nfs/dbraw/zinc/36/66/24/588366624.db2.gz NHBKGYTVLGJTSX-UHFFFAOYSA-N -1 3 240.219 0.643 20 5 BCBDHM O=C([O-])NCCNCc1ccc([N+](=O)[O-])cc1 ZINC000740658018 602053291 /nfs/dbraw/zinc/05/32/91/602053291.db2.gz CVAPQQULAFMLRS-UHFFFAOYSA-N -1 3 239.231 0.952 20 5 BCBDHM O=C([N-]OCc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000909544411 636239936 /nfs/dbraw/zinc/23/99/36/636239936.db2.gz PSFGENUCDAGXCP-RKDXNWHRSA-N -1 3 237.215 0.295 20 5 BCBDHM CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173040273 641146217 /nfs/dbraw/zinc/14/62/17/641146217.db2.gz VKQYONIJJRIOJD-UHFFFAOYSA-N -1 3 210.189 0.815 20 5 BCBDHM CC(C)[C@H](NCC(F)(F)F)C(=O)N[O-] ZINC000389285528 539015868 /nfs/dbraw/zinc/01/58/68/539015868.db2.gz VGDUWTWWVHODBN-YFKPBYRVSA-N -1 3 214.187 0.668 20 5 BCBDHM C[C@@H](CO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596090521 348444285 /nfs/dbraw/zinc/44/42/85/348444285.db2.gz XEZIKPHWAAJTTJ-ZCFIWIBFSA-N -1 3 227.220 0.736 20 5 BCBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1O ZINC000596177764 348462961 /nfs/dbraw/zinc/46/29/61/348462961.db2.gz GBFSTWPYMCQTGX-SVRRBLITSA-N -1 3 239.231 0.512 20 5 BCBDHM CN(CCCCO)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596206229 348466312 /nfs/dbraw/zinc/46/63/12/348466312.db2.gz QPANVOFQSPMFFT-UHFFFAOYSA-N -1 3 241.247 0.904 20 5 BCBDHM N[C@@H]1C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000424190163 388695359 /nfs/dbraw/zinc/69/53/59/388695359.db2.gz LYBCGJAKKPENEF-NKWVEPMBSA-N -1 3 237.215 0.586 20 5 BCBDHM CC(=O)[N-]OCc1cccnc1[N+](=O)[O-] ZINC000902231065 584542652 /nfs/dbraw/zinc/54/26/52/584542652.db2.gz ODBXXHLWJCHUMS-UHFFFAOYSA-N -1 3 211.177 0.558 20 5 BCBDHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839776666 585341226 /nfs/dbraw/zinc/34/12/26/585341226.db2.gz MYFUMUQUSWMLEN-XLPZGREQSA-N -1 3 216.237 0.746 20 5 BCBDHM Cc1ncc([N+](=O)[O-])n1Cc1nc(C)cc(=O)[n-]1 ZINC000776840329 585705862 /nfs/dbraw/zinc/70/58/62/585705862.db2.gz 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182351183 /nfs/dbraw/zinc/35/11/83/182351183.db2.gz TWOVGZFDCZNTSY-UHFFFAOYSA-N -1 3 249.186 0.259 20 5 BCBDHM O=C(Nc1cn[nH]c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186897379 384055959 /nfs/dbraw/zinc/05/59/59/384055959.db2.gz RVVMGQIXDDBURP-UHFFFAOYSA-N -1 3 249.186 0.671 20 5 BCBDHM O=C([N-]OC/C=C/Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839774049 585340913 /nfs/dbraw/zinc/34/09/13/585340913.db2.gz KUMQUANZVXDPFI-IYTQHBPKSA-N -1 3 220.612 0.452 20 5 BCBDHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839776664 585341083 /nfs/dbraw/zinc/34/10/83/585341083.db2.gz MYFUMUQUSWMLEN-BWZBUEFSSA-N -1 3 216.237 0.746 20 5 BCBDHM O=C([N-]N1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000770547987 585576313 /nfs/dbraw/zinc/57/63/13/585576313.db2.gz XSJUCVIAAGGCMQ-UHFFFAOYSA-N -1 3 249.226 0.862 20 5 BCBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OCCO ZINC000776578426 585700957 /nfs/dbraw/zinc/70/09/57/585700957.db2.gz DYOMYKMCYCIKGP-UHFFFAOYSA-N -1 3 240.215 0.177 20 5 BCBDHM COCCCO[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000807772935 586449109 /nfs/dbraw/zinc/44/91/09/586449109.db2.gz YBNZTVRAEPMDPU-UHFFFAOYSA-N -1 3 244.207 0.016 20 5 BCBDHM CCOCCO[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828823266 587464158 /nfs/dbraw/zinc/46/41/58/587464158.db2.gz ZQXOYGXUKVUDQV-UHFFFAOYSA-N -1 3 248.279 0.906 20 5 BCBDHM O=c1c([N+](=O)[O-])cccn1Cc1ncccc1[O-] ZINC000576456192 365600326 /nfs/dbraw/zinc/60/03/26/365600326.db2.gz ZTBQRBRQPKBJDH-UHFFFAOYSA-N -1 3 247.210 0.905 20 5 BCBDHM O=c1[n-]ccc(N2C[C@H]3C[C@@]3(O)C2)c1[N+](=O)[O-] ZINC000603421987 344519576 /nfs/dbraw/zinc/51/95/76/344519576.db2.gz FNPYSASQYPXFKD-LHLIQPBNSA-N -1 3 237.215 0.266 20 5 BCBDHM COCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596049880 348432394 /nfs/dbraw/zinc/43/23/94/348432394.db2.gz JNAPQHUKZIUVCD-UHFFFAOYSA-N -1 3 213.193 0.754 20 5 BCBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596064946 348436304 /nfs/dbraw/zinc/43/63/04/348436304.db2.gz LDSHODYHNMDEGM-SSDOTTSWSA-N -1 3 239.231 0.921 20 5 BCBDHM C[C@H](CC(N)=O)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596137083 348448622 /nfs/dbraw/zinc/44/86/22/348448622.db2.gz PWGXJPWCSFGPNQ-RXMQYKEDSA-N -1 3 240.219 0.371 20 5 BCBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1O ZINC000596177762 348463040 /nfs/dbraw/zinc/46/30/40/348463040.db2.gz GBFSTWPYMCQTGX-HTRCEHHLSA-N -1 3 239.231 0.512 20 5 BCBDHM O=[N+]([O-])c1ccccc1Cc1nnn[n-]1 ZINC000020077631 371227171 /nfs/dbraw/zinc/22/71/71/371227171.db2.gz QTFPZDIGKYZDMI-UHFFFAOYSA-N -1 3 205.177 0.699 20 5 BCBDHM O=[N+]([O-])c1ccccc1Cc1nn[n-]n1 ZINC000020077631 371227174 /nfs/dbraw/zinc/22/71/74/371227174.db2.gz QTFPZDIGKYZDMI-UHFFFAOYSA-N -1 3 205.177 0.699 20 5 BCBDHM O=C([N-]c1nc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000023142784 182399971 /nfs/dbraw/zinc/39/99/71/182399971.db2.gz XTYFRVJACOWUOA-UHFFFAOYSA-N -1 3 233.187 0.965 20 5 BCBDHM CCO[N-]C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000171398228 388403632 /nfs/dbraw/zinc/40/36/32/388403632.db2.gz STHOQMBMRABVHO-UHFFFAOYSA-N -1 3 228.208 0.562 20 5 BCBDHM O=c1cc(Cn2nccc2[N+](=O)[O-])occ1[O-] ZINC000127991597 324799343 /nfs/dbraw/zinc/79/93/43/324799343.db2.gz NBNOWOZVQYRULK-UHFFFAOYSA-N -1 3 237.171 0.498 20 5 BCBDHM Cn1cnc([N-]C(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000554456466 325721042 /nfs/dbraw/zinc/72/10/42/325721042.db2.gz KERFPEHAADISJE-UHFFFAOYSA-N -1 3 247.214 0.976 20 5 BCBDHM O=C([N-]OCCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000787299652 585906191 /nfs/dbraw/zinc/90/61/91/585906191.db2.gz SYIWRVXRDUMKEG-UHFFFAOYSA-N -1 3 244.178 0.388 20 5 BCBDHM CC(C)CO[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000801636180 586267331 /nfs/dbraw/zinc/26/73/31/586267331.db2.gz LIYWUVZVHROGBI-UHFFFAOYSA-N -1 3 228.208 0.635 20 5 BCBDHM CN[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000234380927 343959980 /nfs/dbraw/zinc/95/99/80/343959980.db2.gz KWPZZNSRVWEXTE-LURJTMIESA-N -1 3 239.231 0.847 20 5 BCBDHM CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593524599 347911044 /nfs/dbraw/zinc/91/10/44/347911044.db2.gz PETUIVQVEINVTF-UHFFFAOYSA-N -1 3 245.260 0.678 20 5 BCBDHM CN(CCO)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596051353 348432501 /nfs/dbraw/zinc/43/25/01/348432501.db2.gz PWVIGVJWGWKDQN-UHFFFAOYSA-N -1 3 213.193 0.124 20 5 BCBDHM O=c1[n-]ccc(N2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000596055817 348434645 /nfs/dbraw/zinc/43/46/45/348434645.db2.gz OIDJFMKABPSSJW-ZETCQYMHSA-N -1 3 239.231 0.657 20 5 BCBDHM C[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596056397 348434828 /nfs/dbraw/zinc/43/48/28/348434828.db2.gz YFQSBWHPUDQYKJ-RXMQYKEDSA-N -1 3 213.193 0.488 20 5 BCBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596064947 348436317 /nfs/dbraw/zinc/43/63/17/348436317.db2.gz LDSHODYHNMDEGM-ZETCQYMHSA-N -1 3 239.231 0.921 20 5 BCBDHM CC(C)CO[N-]C(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000164816387 191123279 /nfs/dbraw/zinc/12/32/79/191123279.db2.gz YNWGAYDBAMKBIJ-UHFFFAOYSA-N -1 3 228.208 0.635 20 5 BCBDHM C[C@H](SC[C@H]1CCCO1)C(=O)N[O-] ZINC000379389487 538105907 /nfs/dbraw/zinc/10/59/07/538105907.db2.gz LSPYGANWCCKCKZ-NKWVEPMBSA-N -1 3 205.279 0.793 20 5 BCBDHM CC[C@@H](N)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000571043954 323105081 /nfs/dbraw/zinc/10/50/81/323105081.db2.gz HGMWRSIJBWKTIX-SSDOTTSWSA-N -1 3 239.231 0.976 20 5 BCBDHM O=C([N-]OCCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839778133 585341449 /nfs/dbraw/zinc/34/14/49/585341449.db2.gz NHSCQDHPIUZGAH-HTQZYQBOSA-N -1 3 214.221 0.500 20 5 BCBDHM O=C([N-]N1CN=NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000777767486 585719819 /nfs/dbraw/zinc/71/98/19/585719819.db2.gz KKZAJZCTVJFIBG-UHFFFAOYSA-N -1 3 249.186 0.276 20 5 BCBDHM CC(COC(=O)c1ccc([N+](=O)[O-])[n-]1)[N+](=O)[O-] ZINC000813106304 586592999 /nfs/dbraw/zinc/59/29/99/586592999.db2.gz AHMCKRMZOKYZAT-RXMQYKEDSA-N -1 3 243.175 0.745 20 5 BCBDHM CNc1nccc(C(=O)[N-]OC)c1[N+](=O)[O-] ZINC000816845919 586768164 /nfs/dbraw/zinc/76/81/64/586768164.db2.gz HUVJHOOCRKWFAN-UHFFFAOYSA-N -1 3 226.192 0.323 20 5 BCBDHM CCCO[N-]C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000831594864 587622185 /nfs/dbraw/zinc/62/21/85/587622185.db2.gz YWUYUGVVTADSAE-UHFFFAOYSA-N -1 3 240.219 0.875 20 5 BCBDHM C[C@H](O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596130444 348446579 /nfs/dbraw/zinc/44/65/79/348446579.db2.gz XPEWMIKPIJQYID-LURJTMIESA-N -1 3 227.220 0.878 20 5 BCBDHM C[C@@H](CCO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596133291 348447187 /nfs/dbraw/zinc/44/71/87/348447187.db2.gz GMSMSSSWJKCXJX-LURJTMIESA-N -1 3 227.220 0.878 20 5 BCBDHM COC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596177520 348462150 /nfs/dbraw/zinc/46/21/50/348462150.db2.gz MPVPZYSPSMDRPE-UHFFFAOYSA-N -1 3 239.231 0.921 20 5 BCBDHM O=c1[n-]ccc(NCCN2CCC2)c1[N+](=O)[O-] ZINC000596176004 348462166 /nfs/dbraw/zinc/46/21/66/348462166.db2.gz YXJSDEPHSIRQAN-UHFFFAOYSA-N -1 3 238.247 0.813 20 5 BCBDHM O=c1[n-]ccc(N[C@H]2[C@@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000596216536 348468839 /nfs/dbraw/zinc/46/88/39/348468839.db2.gz FAKYSTDALBAOPL-BDINMYNLSA-N -1 3 237.215 0.752 20 5 BCBDHM C[C@H](SC[C@@H]1CCCO1)C(=O)N[O-] ZINC000379389486 538105902 /nfs/dbraw/zinc/10/59/02/538105902.db2.gz LSPYGANWCCKCKZ-BQBZGAKWSA-N -1 3 205.279 0.793 20 5 BCBDHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCN1 ZINC000573799873 364917918 /nfs/dbraw/zinc/91/79/18/364917918.db2.gz HEZVNHIBPRHGDJ-SSDOTTSWSA-N -1 3 237.215 0.601 20 5 BCBDHM CC(C)(N)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000575920637 365413243 /nfs/dbraw/zinc/41/32/43/365413243.db2.gz FTAYEZNKFYTRSB-UHFFFAOYSA-N -1 3 239.231 0.976 20 5 BCBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCF ZINC000280493199 388783318 /nfs/dbraw/zinc/78/33/18/388783318.db2.gz BIAJVYDVHRHIAL-UHFFFAOYSA-N -1 3 248.235 0.843 20 5 BCBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[n-]nn1 ZINC000048940708 323156270 /nfs/dbraw/zinc/15/62/70/323156270.db2.gz IMSHILLWYMOZHD-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn[n-]1 ZINC000048940708 323156271 /nfs/dbraw/zinc/15/62/71/323156271.db2.gz IMSHILLWYMOZHD-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cn[n-]n1 ZINC000048940708 323156272 /nfs/dbraw/zinc/15/62/72/323156272.db2.gz IMSHILLWYMOZHD-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1c[n-]nn1 ZINC000049379620 323160050 /nfs/dbraw/zinc/16/00/50/323160050.db2.gz WXVDCKYCUUNOQA-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn[n-]1 ZINC000049379620 323160051 /nfs/dbraw/zinc/16/00/51/323160051.db2.gz WXVDCKYCUUNOQA-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cn[n-]n1 ZINC000049379620 323160052 /nfs/dbraw/zinc/16/00/52/323160052.db2.gz WXVDCKYCUUNOQA-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM Cc1cc(=O)[n-]c(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000754452084 585284829 /nfs/dbraw/zinc/28/48/29/585284829.db2.gz UFGQJEULGIWYEL-UHFFFAOYSA-N -1 3 235.203 0.644 20 5 BCBDHM O=C([N-]OCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839776952 585341396 /nfs/dbraw/zinc/34/13/96/585341396.db2.gz DWLFVFOAVWWLPT-RNFRBKRXSA-N -1 3 200.194 0.109 20 5 BCBDHM CCCO[N-]C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000844082809 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ZINC000596093031 348444905 /nfs/dbraw/zinc/44/49/05/348444905.db2.gz ZPVNZPGEEQOJJN-ZCFIWIBFSA-N -1 3 227.220 0.512 20 5 BCBDHM C[C@@H](SC[C@@H]1CCCO1)C(=O)N[O-] ZINC000379389489 538105882 /nfs/dbraw/zinc/10/58/82/538105882.db2.gz LSPYGANWCCKCKZ-RQJHMYQMSA-N -1 3 205.279 0.793 20 5 BCBDHM CSCCO[N-]C(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000280105674 388780100 /nfs/dbraw/zinc/78/01/00/388780100.db2.gz UXBVKPWTNUCYON-UHFFFAOYSA-N -1 3 246.248 0.342 20 5 BCBDHM Cc1cc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])no1 ZINC000558732579 411636724 /nfs/dbraw/zinc/63/67/24/411636724.db2.gz KEMIRYWDZIHQMY-UHFFFAOYSA-N -1 3 237.175 0.867 20 5 BCBDHM COCCCO[N-]C(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000287759156 174255773 /nfs/dbraw/zinc/25/57/73/174255773.db2.gz JBQNQNACEUARMT-UHFFFAOYSA-N -1 3 244.207 0.016 20 5 BCBDHM O=C(CCNC(=O)c1ccc(Cl)cc1)N[O-] ZINC000011639581 538705732 /nfs/dbraw/zinc/70/57/32/538705732.db2.gz WJKVLBYCLMXLEM-UHFFFAOYSA-N -1 3 242.662 0.965 20 5 BCBDHM CC(C)(O)CONc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853544134 588748257 /nfs/dbraw/zinc/74/82/57/588748257.db2.gz PINXKRQKEAVGIN-UHFFFAOYSA-N -1 3 243.219 0.810 20 5 BCBDHM O=C([N-]OCCO)c1ccc([N+](=O)[O-])s1 ZINC000776580927 585701230 /nfs/dbraw/zinc/70/12/30/585701230.db2.gz AFQGTSBOTHILHP-UHFFFAOYSA-N -1 3 232.217 0.310 20 5 BCBDHM O=C([N-]OCCO)c1ccc([N+](=O)[O-])cc1F ZINC000776584824 585701571 /nfs/dbraw/zinc/70/15/71/585701571.db2.gz REUHYCBEVQSMOL-UHFFFAOYSA-N -1 3 244.178 0.388 20 5 BCBDHM O=C([N-]N1CN=NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000777768126 585719851 /nfs/dbraw/zinc/71/98/51/585719851.db2.gz OREITMYVKAWGEB-UHFFFAOYSA-N -1 3 249.186 0.276 20 5 BCBDHM O=C([N-]OC/C=C/Cl)c1[nH]ncc1[N+](=O)[O-] ZINC000812403520 586576055 /nfs/dbraw/zinc/57/60/55/586576055.db2.gz OIAABPBJLYGRST-OWOJBTEDSA-N -1 3 246.610 0.732 20 5 BCBDHM CCO[N-]C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000816831362 586766940 /nfs/dbraw/zinc/76/69/40/586766940.db2.gz PLGWNZZECASHSA-UHFFFAOYSA-N -1 3 240.219 0.713 20 5 BCBDHM CC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119312595 589264584 /nfs/dbraw/zinc/26/45/84/589264584.db2.gz MXSPGHMSOGDCBB-UHFFFAOYSA-N -1 3 236.274 0.955 20 5 BCBDHM O=C([N-]OCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839731909 644631215 /nfs/dbraw/zinc/63/12/15/644631215.db2.gz WUMJDMFAIRFLSZ-RFZPGFLSSA-N -1 3 242.153 0.652 20 5 BCBDHM O=c1[n-]ccc(NCCCO)c1[N+](=O)[O-] ZINC000596050286 348432495 /nfs/dbraw/zinc/43/24/95/348432495.db2.gz DAVSIRJKHYAYOI-UHFFFAOYSA-N -1 3 213.193 0.490 20 5 BCBDHM C[C@H](CO)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596072186 348438359 /nfs/dbraw/zinc/43/83/59/348438359.db2.gz ZAEOVGGIXBGZRO-RXMQYKEDSA-N -1 3 213.193 0.488 20 5 BCBDHM COC(=O)CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596071588 348438372 /nfs/dbraw/zinc/43/83/72/348438372.db2.gz SFBQFRZVQUPAIB-UHFFFAOYSA-N -1 3 241.203 0.305 20 5 BCBDHM CC[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596240952 348484458 /nfs/dbraw/zinc/48/44/58/348484458.db2.gz IUXAYDZWMHFQHY-LURJTMIESA-N -1 3 227.220 0.878 20 5 BCBDHM CCCc1n[nH]c(C(=O)[N-]OCC)c1[N+](=O)[O-] ZINC000069155848 191002534 /nfs/dbraw/zinc/00/25/34/191002534.db2.gz GMZNJSXFCNHCRV-UHFFFAOYSA-N -1 3 242.235 0.952 20 5 BCBDHM CC(C)(N)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000232527279 353105891 /nfs/dbraw/zinc/10/58/91/353105891.db2.gz RDWHRRZKVRJWHQ-UHFFFAOYSA-N -1 3 239.231 0.976 20 5 BCBDHM O=C([N-]OCC1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000293894506 182283423 /nfs/dbraw/zinc/28/34/23/182283423.db2.gz YZBVFXPWCACQLM-UHFFFAOYSA-N -1 3 226.192 0.389 20 5 BCBDHM O=[N+]([O-])c1cnc([N-]c2cn[nH]c2)nc1 ZINC000302087487 388838122 /nfs/dbraw/zinc/83/81/22/388838122.db2.gz FMIDYEBFXFBVGJ-UHFFFAOYSA-N -1 3 206.165 0.852 20 5 BCBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c[n-]nn1 ZINC000049250578 323159344 /nfs/dbraw/zinc/15/93/44/323159344.db2.gz JAEPZKPRNIXYGS-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cnn[n-]1 ZINC000049250578 323159345 /nfs/dbraw/zinc/15/93/45/323159345.db2.gz JAEPZKPRNIXYGS-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cn[n-]n1 ZINC000049250578 323159346 /nfs/dbraw/zinc/15/93/46/323159346.db2.gz JAEPZKPRNIXYGS-UHFFFAOYSA-N -1 3 247.214 0.643 20 5 BCBDHM O=[N+]([O-])c1ncn(Cc2ncccc2[O-])n1 ZINC000567181121 326131132 /nfs/dbraw/zinc/13/11/32/326131132.db2.gz ZXBCSHUAZOMZTR-UHFFFAOYSA-N -1 3 221.176 0.335 20 5 BCBDHM CC(C)CO[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839710645 585338159 /nfs/dbraw/zinc/33/81/59/585338159.db2.gz OHSGCAMVRMELPG-RNFRBKRXSA-N -1 3 202.210 0.355 20 5 BCBDHM O=C([N-]OC/C=C\Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839774031 585340918 /nfs/dbraw/zinc/34/09/18/585340918.db2.gz KUMQUANZVXDPFI-CNUHJEEOSA-N -1 3 220.612 0.452 20 5 BCBDHM O=C([N-]OC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839778699 585341339 /nfs/dbraw/zinc/34/13/39/585341339.db2.gz YYIQAQXMQRBODV-RNFRBKRXSA-N -1 3 200.194 0.252 20 5 BCBDHM CCCO[N-]C(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000844084913 588163213 /nfs/dbraw/zinc/16/32/13/588163213.db2.gz FAUCMMPNBYLQTQ-UHFFFAOYSA-N -1 3 214.181 0.389 20 5 BCBDHM 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20 5 BCBDHM O=c1[n-]ccc(N2CCCC2)c1[N+](=O)[O-] ZINC000139227003 361590762 /nfs/dbraw/zinc/59/07/62/361590762.db2.gz KHDRYLRZPXEPNB-UHFFFAOYSA-N -1 3 209.205 0.883 20 5 BCBDHM Cc1ncc([N+](=O)[O-])n1Cc1n[n-]c(=O)s1 ZINC000573808500 364921561 /nfs/dbraw/zinc/92/15/61/364921561.db2.gz PXPGVNQUXUGWGN-UHFFFAOYSA-N -1 3 241.232 0.705 20 5 BCBDHM O=C(Nc1cn[nH]c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029676926 371798012 /nfs/dbraw/zinc/79/80/12/371798012.db2.gz FOGCIRULWGWSBX-UHFFFAOYSA-N -1 3 249.186 0.259 20 5 BCBDHM CC(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095088535 167130319 /nfs/dbraw/zinc/13/03/19/167130319.db2.gz BCCSZUMTMJPCDZ-UHFFFAOYSA-N -1 3 245.260 0.677 20 5 BCBDHM Cc1conc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000570029185 411746601 /nfs/dbraw/zinc/74/66/01/411746601.db2.gz UXCMUJJHBUASEO-UHFFFAOYSA-N -1 3 248.198 1.539 20 5 BCBDHM O=C([N-]N1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000770547661 585576290 /nfs/dbraw/zinc/57/62/90/585576290.db2.gz SDNCVHSLPYVOIE-UHFFFAOYSA-N -1 3 249.226 0.862 20 5 BCBDHM O=[N+]([O-])c1cccc(NC([O-])=NOCCO)c1 ZINC000776295086 585694860 /nfs/dbraw/zinc/69/48/60/585694860.db2.gz FUMWEGZBEQAPQD-UHFFFAOYSA-N -1 3 241.203 0.640 20 5 BCBDHM O=C([N-]OCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000776295086 585694861 /nfs/dbraw/zinc/69/48/61/585694861.db2.gz FUMWEGZBEQAPQD-UHFFFAOYSA-N -1 3 241.203 0.640 20 5 BCBDHM CCOCCO[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000802599532 586306123 /nfs/dbraw/zinc/30/61/23/586306123.db2.gz WIUNPTLUHLHLSV-UHFFFAOYSA-N -1 3 244.207 0.016 20 5 BCBDHM O=C([N-]OCC(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC000802581429 586306334 /nfs/dbraw/zinc/30/63/34/586306334.db2.gz PDSDLPVTMZUTCC-UHFFFAOYSA-N -1 3 236.134 0.244 20 5 BCBDHM O=C([N-]OC/C=C/Cl)c1c[nH]nc1[N+](=O)[O-] ZINC000812404602 586575931 /nfs/dbraw/zinc/57/59/31/586575931.db2.gz HICZMQQZUKSEGO-OWOJBTEDSA-N -1 3 246.610 0.732 20 5 BCBDHM CN(CCC(=O)[O-])CCn1cc([N+](=O)[O-])cn1 ZINC000818462977 586891983 /nfs/dbraw/zinc/89/19/83/586891983.db2.gz GPIIWUJDPJWUGI-UHFFFAOYSA-N -1 3 242.235 0.198 20 5 BCBDHM CCCO[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000844086897 588164988 /nfs/dbraw/zinc/16/49/88/588164988.db2.gz COCOTRMCWUBGAC-UHFFFAOYSA-N -1 3 214.181 0.389 20 5 BCBDHM CO[N-]C(=O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000922830219 644114432 /nfs/dbraw/zinc/11/44/32/644114432.db2.gz OAZOXLGTGVTHJV-UHFFFAOYSA-N -1 3 239.231 0.362 20 5 BCBDHM