smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596144011 348450005 /nfs/dbraw/zinc/45/00/05/348450005.db2.gz ZQMSYMVPLBDGJN-UHFFFAOYSA-N -1 3 242.300 2.834 20 5 BFBDHM CCC[C@@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666378 974635572 /nfs/dbraw/zinc/63/55/72/974635572.db2.gz HPELHXNNTNNOAE-MRVPVSSYSA-N -1 3 240.259 2.653 20 5 BFBDHM Cc1cnc([N-]c2ccc([N+](=O)[O-])cc2)o1 ZINC001174475516 976793721 /nfs/dbraw/zinc/79/37/21/976793721.db2.gz HPOJTAZTZYIKOY-UHFFFAOYSA-N -1 3 219.200 2.635 20 5 BFBDHM CCc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC001199819375 983017488 /nfs/dbraw/zinc/01/74/88/983017488.db2.gz PRVGRDFXFSHMHO-UHFFFAOYSA-N -1 3 249.226 2.594 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccco2)c1 ZINC001199818924 983017706 /nfs/dbraw/zinc/01/77/06/983017706.db2.gz HFOFUOZIWZDMDS-UHFFFAOYSA-N -1 3 220.184 2.637 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncccc2F)c1 ZINC001199802826 983019526 /nfs/dbraw/zinc/01/95/26/983019526.db2.gz ZKTKIPVIICALME-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM Cc1cncc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199802507 983021514 /nfs/dbraw/zinc/02/15/14/983021514.db2.gz STWHSICLWKGHEF-UHFFFAOYSA-N -1 3 245.238 2.747 20 5 BFBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000338922450 344591097 /nfs/dbraw/zinc/59/10/97/344591097.db2.gz XTVHBDMVIIPUBY-UHFFFAOYSA-N -1 3 238.287 2.531 20 5 BFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000580187793 346636529 /nfs/dbraw/zinc/63/65/29/346636529.db2.gz BSLWJXIBBVKYSZ-UHFFFAOYSA-N -1 3 238.287 2.531 20 5 BFBDHM CC(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596076440 348439025 /nfs/dbraw/zinc/43/90/25/348439025.db2.gz QLADSEYOESXLRK-UHFFFAOYSA-N -1 3 239.275 2.544 20 5 BFBDHM CC(C)(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596076792 348439055 /nfs/dbraw/zinc/43/90/55/348439055.db2.gz PMLUHAMDFPTNRJ-UHFFFAOYSA-N -1 3 239.275 2.544 20 5 BFBDHM CCC[C@H](CC)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596097982 348445585 /nfs/dbraw/zinc/44/55/85/348445585.db2.gz LTDGSTOCARTNIM-QMMMGPOBSA-N -1 3 239.275 2.686 20 5 BFBDHM CC[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339031293 383891252 /nfs/dbraw/zinc/89/12/52/383891252.db2.gz DRGKWMPSXWEESD-SECBINFHSA-N -1 3 238.287 2.531 20 5 BFBDHM C[C@H](Cc1ccccc1[N+](=O)[O-])NC1=CC=C[CH]1 ZINC001254539617 969735208 /nfs/dbraw/zinc/73/52/08/969735208.db2.gz GCDITEQRHOCPJB-LLVKDONJSA-N -1 3 243.286 2.773 20 5 BFBDHM Cc1cc([N-]c2ccccc2[N+](=O)[O-])no1 ZINC001206140550 974107628 /nfs/dbraw/zinc/10/76/28/974107628.db2.gz WYGYTQSRJNXTDG-UHFFFAOYSA-N -1 3 219.200 2.635 20 5 BFBDHM Cc1cc2[n-]c(OC(C)C)nc2cc1[N+](=O)[O-] ZINC001228672606 976428180 /nfs/dbraw/zinc/42/81/80/976428180.db2.gz WTOMJRHYFDTZTI-UHFFFAOYSA-N -1 3 235.243 2.567 20 5 BFBDHM O=[N+]([O-])c1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001174477801 976799661 /nfs/dbraw/zinc/79/96/61/976799661.db2.gz XABVUXKFSJQLHX-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM CC(C)[C@H](C)Sc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596143968 348450254 /nfs/dbraw/zinc/45/02/54/348450254.db2.gz YDVRAUJZGFHMDS-ZETCQYMHSA-N -1 3 242.300 2.832 20 5 BFBDHM CC[C@H](C)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596155517 348454299 /nfs/dbraw/zinc/45/42/99/348454299.db2.gz BSIGZCKQVFPLIT-ZETCQYMHSA-N -1 3 242.300 2.834 20 5 BFBDHM O=[N+]([O-])c1cnccc1Sc1cccc([O-])c1 ZINC000131048084 370959192 /nfs/dbraw/zinc/95/91/92/370959192.db2.gz SMHBVMHLZPLDDT-UHFFFAOYSA-N -1 3 248.263 2.847 20 5 BFBDHM O=[N+]([O-])c1cccnc1Sc1cccc([O-])c1 ZINC000130420021 387221240 /nfs/dbraw/zinc/22/12/40/387221240.db2.gz PGKRUZLGNMLLSC-UHFFFAOYSA-N -1 3 248.263 2.847 20 5 BFBDHM O=[N+]([O-])c1cc(F)ccc1Nc1cncc([O-])c1 ZINC001210951987 970090438 /nfs/dbraw/zinc/09/04/38/970090438.db2.gz VGZPHBYTKFEESZ-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM CCC[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666380 974633971 /nfs/dbraw/zinc/63/39/71/974633971.db2.gz HPELHXNNTNNOAE-QMMMGPOBSA-N -1 3 240.259 2.653 20 5 BFBDHM CC[C@H](C)[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666493 974635348 /nfs/dbraw/zinc/63/53/48/974635348.db2.gz JQASBOKFAPTJIE-JGVFFNPUSA-N -1 3 240.259 2.509 20 5 BFBDHM C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1=CC=C[CH]1 ZINC001173216076 975069748 /nfs/dbraw/zinc/06/97/48/975069748.db2.gz BVBAVSUTSQIPFO-NSHDSACASA-N -1 3 243.286 2.773 20 5 BFBDHM O=[N+]([O-])c1ccc2nc(OC3CC=CC3)[n-]c2c1 ZINC001227744840 975670876 /nfs/dbraw/zinc/67/08/76/975670876.db2.gz JVUUNFUOMPGOFI-UHFFFAOYSA-N -1 3 245.238 2.569 20 5 BFBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CC=CC3)nc2c1 ZINC001227744840 975670890 /nfs/dbraw/zinc/67/08/90/975670890.db2.gz JVUUNFUOMPGOFI-UHFFFAOYSA-N -1 3 245.238 2.569 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccc(F)n2)c1 ZINC001199802253 983022481 /nfs/dbraw/zinc/02/24/81/983022481.db2.gz MWWOVCPOQJBOPF-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM CC[C@H](C)[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596134693 348447223 /nfs/dbraw/zinc/44/72/23/348447223.db2.gz OONLPWBEYNPLGH-YUMQZZPRSA-N -1 3 239.275 2.542 20 5 BFBDHM O=[N+]([O-])c1cc(Nc2ncccc2[O-])ccc1F ZINC001211190064 970168434 /nfs/dbraw/zinc/16/84/34/970168434.db2.gz JPFUIUFJAQDLBR-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM Cc1ccc([N-]c2ccon2)c([N+](=O)[O-])c1 ZINC001214164740 970446034 /nfs/dbraw/zinc/44/60/34/970446034.db2.gz BDDFSABQYJZCKW-UHFFFAOYSA-N -1 3 219.200 2.635 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(F)nc2)c1 ZINC001199802454 983020130 /nfs/dbraw/zinc/02/01/30/983020130.db2.gz PSFIICKBTCJUER-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cccnc2F)c1 ZINC001199801622 983021584 /nfs/dbraw/zinc/02/15/84/983021584.db2.gz FMFKLIITAIQJRY-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM Cc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001559052274 991027250 /nfs/dbraw/zinc/02/72/50/991027250.db2.gz JMUXNINZGWAFRU-UHFFFAOYSA-N -1 3 245.238 2.747 20 5 BFBDHM O=c1[n-]ccc(SC2CCCC2)c1[N+](=O)[O-] ZINC000596055750 348434794 /nfs/dbraw/zinc/43/47/94/348434794.db2.gz MJHJPYLIAOFJNB-UHFFFAOYSA-N -1 3 240.284 2.730 20 5 BFBDHM CCC[C@@H](CC)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596097981 348445479 /nfs/dbraw/zinc/44/54/79/348445479.db2.gz LTDGSTOCARTNIM-MRVPVSSYSA-N -1 3 239.275 2.686 20 5 BFBDHM O=[N+]([O-])c1cccc(Nc2ncccc2[O-])c1F ZINC001210379355 957735441 /nfs/dbraw/zinc/73/54/41/957735441.db2.gz VHVRONUMHKHJBR-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3C=CCC3)[n-]c2c1 ZINC001227744305 963558788 /nfs/dbraw/zinc/55/87/88/963558788.db2.gz GCKNQWYGQMAYLJ-VIFPVBQESA-N -1 3 245.238 2.569 20 5 BFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3C=CCC3)nc2c1 ZINC001227744305 963558796 /nfs/dbraw/zinc/55/87/96/963558796.db2.gz GCKNQWYGQMAYLJ-VIFPVBQESA-N -1 3 245.238 2.569 20 5 BFBDHM CC[C@H](C)[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666495 974634215 /nfs/dbraw/zinc/63/42/15/974634215.db2.gz JQASBOKFAPTJIE-YUMQZZPRSA-N -1 3 240.259 2.509 20 5 BFBDHM O=[N+]([O-])c1ccc(F)c(Nc2ncccc2[O-])c1 ZINC001175734448 977671757 /nfs/dbraw/zinc/67/17/57/977671757.db2.gz KQEROEBLQLPKGA-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)nc1 ZINC001199801547 983020243 /nfs/dbraw/zinc/02/02/43/983020243.db2.gz UVPYMXYCWHQTQY-UHFFFAOYSA-N -1 3 245.238 2.747 20 5 BFBDHM O=c1[n-]ccc(NCC2=CCCCC2)c1[N+](=O)[O-] ZINC000596259445 348477256 /nfs/dbraw/zinc/47/72/56/348477256.db2.gz SMASMUPWYDODQF-UHFFFAOYSA-N -1 3 249.270 2.608 20 5 BFBDHM O=c1[n-]ccc(NC2CCC=CCC2)c1[N+](=O)[O-] ZINC000718039508 712738048 /nfs/dbraw/zinc/73/80/48/712738048.db2.gz JVDCQVLPZONSHO-UHFFFAOYSA-N -1 3 249.270 2.606 20 5 BFBDHM O=[N+]([O-])c1ccc(Nc2ccc(F)c([O-])c2)cn1 ZINC001203575143 966694377 /nfs/dbraw/zinc/69/43/77/966694377.db2.gz YQNFHTGABQPYRE-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)C ZINC001225665424 974634257 /nfs/dbraw/zinc/63/42/57/974634257.db2.gz ZCVOSRNLKATXLT-SECBINFHSA-N -1 3 240.259 2.509 20 5 BFBDHM CC[C@@H](C)[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666494 974634954 /nfs/dbraw/zinc/63/49/54/974634954.db2.gz JQASBOKFAPTJIE-SFYZADRCSA-N -1 3 240.259 2.509 20 5 BFBDHM Cc1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199801000 983020724 /nfs/dbraw/zinc/02/07/24/983020724.db2.gz NGPYZGKEAWEVSO-UHFFFAOYSA-N -1 3 245.238 2.747 20 5 BFBDHM Cc1ccncc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802584 983022523 /nfs/dbraw/zinc/02/25/23/983022523.db2.gz VNBVWJCXXYLPFY-UHFFFAOYSA-N -1 3 245.238 2.747 20 5 BFBDHM O=[N+]([O-])c1ccc(Sc2cccc([O-])c2)nc1 ZINC000130422670 187297347 /nfs/dbraw/zinc/29/73/47/187297347.db2.gz UOXZKGZBWZIDTD-UHFFFAOYSA-N -1 3 248.263 2.847 20 5 BFBDHM CCCCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596186321 348456735 /nfs/dbraw/zinc/45/67/35/348456735.db2.gz UGNWGHHRMDZJJT-UHFFFAOYSA-N -1 3 242.300 2.978 20 5 BFBDHM CCC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596209231 348466954 /nfs/dbraw/zinc/46/69/54/348466954.db2.gz DTQIVLRXTAQLKO-UHFFFAOYSA-N -1 3 239.275 2.544 20 5 BFBDHM CC(C)CO[N-]c1c(F)cccc1[N+](=O)[O-] ZINC000286610993 188034483 /nfs/dbraw/zinc/03/44/83/188034483.db2.gz VJSXLAMEKRRRDY-UHFFFAOYSA-N -1 3 228.223 2.733 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cscn2)c1 ZINC001199814862 983024491 /nfs/dbraw/zinc/02/44/91/983024491.db2.gz PBSIGODNOSNGGA-UHFFFAOYSA-N -1 3 237.240 2.501 20 5 BFBDHM C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1=CC=C[CH]1 ZINC001254539618 969738241 /nfs/dbraw/zinc/73/82/41/969738241.db2.gz GCDITEQRHOCPJB-NSHDSACASA-N -1 3 243.286 2.773 20 5 BFBDHM Cc1ccc([N+](=O)[O-])cc1Nc1ncccc1[O-] ZINC001211285980 970219073 /nfs/dbraw/zinc/21/90/73/970219073.db2.gz NBDGPVALAZZCEL-UHFFFAOYSA-N -1 3 245.238 2.747 20 5 BFBDHM Cc1cc([N-]c2ccc(C)cc2[N+](=O)[O-])no1 ZINC001214165026 970445186 /nfs/dbraw/zinc/44/51/86/970445186.db2.gz JFIYGSZTNJJGDZ-UHFFFAOYSA-N -1 3 233.227 2.943 20 5 BFBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001227742344 975670238 /nfs/dbraw/zinc/67/02/38/975670238.db2.gz XOYBTUIBZKCKOB-ZETCQYMHSA-N -1 3 247.254 2.648 20 5 BFBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CC1 ZINC001227742344 975670261 /nfs/dbraw/zinc/67/02/61/975670261.db2.gz XOYBTUIBZKCKOB-ZETCQYMHSA-N -1 3 247.254 2.648 20 5 BFBDHM Cc1ccnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199801065 983022043 /nfs/dbraw/zinc/02/20/43/983022043.db2.gz PLFMVXULWCLXPS-UHFFFAOYSA-N -1 3 245.238 2.747 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2O)c1 ZINC001201222909 983155690 /nfs/dbraw/zinc/15/56/90/983155690.db2.gz SLGZBLFINKETCX-UHFFFAOYSA-N -1 3 246.222 2.750 20 5 BFBDHM CC[C@@H](C)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596134690 348447178 /nfs/dbraw/zinc/44/71/78/348447178.db2.gz OONLPWBEYNPLGH-HTQZYQBOSA-N -1 3 239.275 2.542 20 5 BFBDHM CC(C)C[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664953 974635974 /nfs/dbraw/zinc/63/59/74/974635974.db2.gz VFOPIGLKEPWWML-MRVPVSSYSA-N -1 3 240.259 2.509 20 5 BFBDHM CC(C)C[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667648 974635851 /nfs/dbraw/zinc/63/58/51/974635851.db2.gz VFOPIGLKEPWWML-QMMMGPOBSA-N -1 3 240.259 2.509 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cncs2)c1 ZINC001199815285 983023967 /nfs/dbraw/zinc/02/39/67/983023967.db2.gz YJICPVDRFPNVAC-UHFFFAOYSA-N -1 3 237.240 2.501 20 5 BFBDHM O=[N+]([O-])c1ncccc1Sc1cccc([O-])c1 ZINC000612453262 344898937 /nfs/dbraw/zinc/89/89/37/344898937.db2.gz PAEPZVCVHRSTBR-UHFFFAOYSA-N -1 3 248.263 2.847 20 5 BFBDHM CC[C@@H](C)CSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596155516 348453831 /nfs/dbraw/zinc/45/38/31/348453831.db2.gz BSIGZCKQVFPLIT-SSDOTTSWSA-N -1 3 242.300 2.834 20 5 BFBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3C=CCC3)[n-]c2c1 ZINC001227744255 963557139 /nfs/dbraw/zinc/55/71/39/963557139.db2.gz GCKNQWYGQMAYLJ-SECBINFHSA-N -1 3 245.238 2.569 20 5 BFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3C=CCC3)nc2c1 ZINC001227744255 963557145 /nfs/dbraw/zinc/55/71/45/963557145.db2.gz GCKNQWYGQMAYLJ-SECBINFHSA-N -1 3 245.238 2.569 20 5 BFBDHM Cc1ccc(Nc2cncc([O-])c2)c([N+](=O)[O-])c1 ZINC001214167348 970449005 /nfs/dbraw/zinc/44/90/05/970449005.db2.gz HNEWCSGVPSXQJU-UHFFFAOYSA-N -1 3 245.238 2.747 20 5 BFBDHM C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1=CC=C[CH]1 ZINC001173216074 975070641 /nfs/dbraw/zinc/07/06/41/975070641.db2.gz BVBAVSUTSQIPFO-LLVKDONJSA-N -1 3 243.286 2.773 20 5 BFBDHM CC[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745880 975665962 /nfs/dbraw/zinc/66/59/62/975665962.db2.gz OZBYWYHHXNAIEN-SSDOTTSWSA-N -1 3 235.243 2.648 20 5 BFBDHM CC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745880 975665964 /nfs/dbraw/zinc/66/59/64/975665964.db2.gz OZBYWYHHXNAIEN-SSDOTTSWSA-N -1 3 235.243 2.648 20 5 BFBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CC1 ZINC001227742343 975671605 /nfs/dbraw/zinc/67/16/05/975671605.db2.gz XOYBTUIBZKCKOB-SSDOTTSWSA-N -1 3 247.254 2.648 20 5 BFBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CC1 ZINC001227742343 975671609 /nfs/dbraw/zinc/67/16/09/975671609.db2.gz XOYBTUIBZKCKOB-SSDOTTSWSA-N -1 3 247.254 2.648 20 5 BFBDHM CC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676177 976433748 /nfs/dbraw/zinc/43/37/48/976433748.db2.gz WPUUFXLMMOKCRL-QMMMGPOBSA-N -1 3 249.270 2.957 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccoc2)c1 ZINC001199819295 983018265 /nfs/dbraw/zinc/01/82/65/983018265.db2.gz OVTZBTMDBWKNGK-UHFFFAOYSA-N -1 3 220.184 2.637 20 5 BFBDHM Cc1noc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC001199800468 983019274 /nfs/dbraw/zinc/01/92/74/983019274.db2.gz AFHLCKWSLCILQG-UHFFFAOYSA-N -1 3 249.226 2.649 20 5 BFBDHM Cc1noc(C)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814879 983022942 /nfs/dbraw/zinc/02/29/42/983022942.db2.gz POIXDMHGLYRIID-UHFFFAOYSA-N -1 3 249.226 2.649 20 5 BFBDHM CCCN(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338935280 169130064 /nfs/dbraw/zinc/13/00/64/169130064.db2.gz WYHZYBVWIHFRRI-UHFFFAOYSA-N -1 3 238.287 2.532 20 5 BFBDHM CC(C)[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744593 975669924 /nfs/dbraw/zinc/66/99/24/975669924.db2.gz GUXSSGQVGKIQHV-QMMMGPOBSA-N -1 3 249.270 2.894 20 5 BFBDHM CC(C)[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 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20 5 BFBDHM CC(C)[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743036 975667400 /nfs/dbraw/zinc/66/74/00/975667400.db2.gz GUXSSGQVGKIQHV-MRVPVSSYSA-N -1 3 249.270 2.894 20 5 BFBDHM CC(C)[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743036 975667405 /nfs/dbraw/zinc/66/74/05/975667405.db2.gz GUXSSGQVGKIQHV-MRVPVSSYSA-N -1 3 249.270 2.894 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnsc2)c1 ZINC001199818909 983016441 /nfs/dbraw/zinc/01/64/41/983016441.db2.gz GSANTOFONPPKGA-UHFFFAOYSA-N -1 3 237.240 2.501 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(F)ccn2)c1 ZINC001199801161 983021249 /nfs/dbraw/zinc/02/12/49/983021249.db2.gz ANAUZTKWAYZYGC-UHFFFAOYSA-N -1 3 249.201 2.578 20 5 BFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nccs2)c1 ZINC001199801545 983021712 /nfs/dbraw/zinc/02/17/12/983021712.db2.gz UTFHOQHDQTZBCA-UHFFFAOYSA-N -1 3 237.240 2.501 20 5 BFBDHM O=[N+]([O-])c1ccc([N-]c2ccon2)c(Cl)c1 ZINC001248590733 989120032 /nfs/dbraw/zinc/12/00/32/989120032.db2.gz SWMIPHAUCPLADS-UHFFFAOYSA-N -1 3 239.618 2.980 20 5 BFBDHM O=c1[n-]ccc(NCCC2=CCCC2)c1[N+](=O)[O-] ZINC000596173024 348461647 /nfs/dbraw/zinc/46/16/47/348461647.db2.gz OZFUWLVCMVLRSX-UHFFFAOYSA-N -1 3 249.270 2.608 20 5 BFBDHM CC(C)CO[N-]c1c(F)cc([N+](=O)[O-])cc1F ZINC000276280041 188201643 /nfs/dbraw/zinc/20/16/43/188201643.db2.gz WPEYWVVAJSMUOS-UHFFFAOYSA-N -1 3 246.213 2.873 20 5 BFBDHM Cc1coc([N-]c2cccc([N+](=O)[O-])c2F)n1 ZINC001210378499 969880947 /nfs/dbraw/zinc/88/09/47/969880947.db2.gz IJIFXKKEJNSNSF-UHFFFAOYSA-N -1 3 237.190 2.774 20 5 BFBDHM CCCC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664482 974630880 /nfs/dbraw/zinc/63/08/80/974630880.db2.gz OYLJLJVYPKCVPL-QMMMGPOBSA-N -1 3 240.259 2.653 20 5 BFBDHM CC[C@@H](C)[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666492 974633564 /nfs/dbraw/zinc/63/35/64/974633564.db2.gz JQASBOKFAPTJIE-HTQZYQBOSA-N -1 3 240.259 2.509 20 5 BFBDHM CC[C@H](C)[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596134691 348447154 /nfs/dbraw/zinc/44/71/54/348447154.db2.gz 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