smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccccc1[N+](=O)[O-])C1[C@@H]2CC/C=C\CC/C=C/CC[C@H]12 ZINC000004534562 210214602 /nfs/dbraw/zinc/21/46/02/210214602.db2.gz TVPSUVVLKOFAJS-CJSKEXKKSA-N 0 0 340.423 4.862 40 5 EJBBRN CCOP(=O)(Nc1ccc2oc(=O)c3ccccc3c2c1)OCC ZINC000001662442 209776627 /nfs/dbraw/zinc/77/66/27/209776627.db2.gz WWCHHWCIIQITCT-UHFFFAOYSA-N 0 0 347.307 4.539 40 5 EJBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(F)c(F)c1 ZINC000039956445 213245948 /nfs/dbraw/zinc/24/59/48/213245948.db2.gz IJVYSROYRDVNTD-UHFFFAOYSA-N 0 0 332.228 4.504 40 5 EJBBRN CC(C)C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000020041916 202030527 /nfs/dbraw/zinc/03/05/27/202030527.db2.gz HJRAJHKUDWNELH-YFPIXMDGSA-N 0 0 338.407 4.512 40 5 EJBBRN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000032212177 212793863 /nfs/dbraw/zinc/79/38/63/212793863.db2.gz OXUGUIJDVYONNX-UHFFFAOYSA-N 0 0 339.178 4.771 40 5 EJBBRN C[C@@H]1CCC[C@H](C)N1c1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000226316622 242098086 /nfs/dbraw/zinc/09/80/86/242098086.db2.gz CUPSDOGDPQWKAO-DTORHVGOSA-N 0 0 347.640 4.778 40 5 EJBBRN Cc1ccc(C(=O)N(c2ccccc2)c2ccccc2[N+](=O)[O-])cc1 ZINC000005750709 201661983 /nfs/dbraw/zinc/66/19/83/201661983.db2.gz MCEVFBSFMOHXFG-UHFFFAOYSA-N 0 0 332.359 4.882 40 5 EJBBRN Cc1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005792714 201664137 /nfs/dbraw/zinc/66/41/37/201664137.db2.gz ZDDGNVAOCKJOQF-UHFFFAOYSA-N 0 0 330.727 4.555 40 5 EJBBRN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000019928726 212085824 /nfs/dbraw/zinc/08/58/24/212085824.db2.gz CURVTBDYOCIACN-UHFFFAOYSA-N 0 0 347.783 4.591 40 5 EJBBRN Cc1c(NC(=O)c2cc3cc(Cl)ccc3o2)cccc1[N+](=O)[O-] ZINC000019200104 212004338 /nfs/dbraw/zinc/00/43/38/212004338.db2.gz SJRZFTWZXPNGNM-UHFFFAOYSA-N 0 0 330.727 4.555 40 5 EJBBRN O=[N+]([O-])c1cccc(-c2nnc(SCc3ccccc3Cl)o2)c1 ZINC000000319859 205433252 /nfs/dbraw/zinc/43/32/52/205433252.db2.gz HMFGHXBGDPNGAI-UHFFFAOYSA-N 0 0 347.783 4.591 40 5 EJBBRN Cc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1C ZINC000089262429 217779282 /nfs/dbraw/zinc/77/92/82/217779282.db2.gz JPVZTVHNZAYARE-UHFFFAOYSA-N 0 0 329.743 4.582 40 5 EJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(C(C)C)cc1 ZINC000010360847 211167201 /nfs/dbraw/zinc/16/72/01/211167201.db2.gz SEJZZAIEIFWJNR-UHFFFAOYSA-N 0 0 326.396 4.598 40 5 EJBBRN O=C(Nc1cccc2ccccc21)c1coc2ccc([N+](=O)[O-])cc12 ZINC000408968301 257885031 /nfs/dbraw/zinc/88/50/31/257885031.db2.gz YBVPMSJKQCEORF-UHFFFAOYSA-N 0 0 332.315 4.747 40 5 EJBBRN O=[N+]([O-])c1cc(Cl)cc(Br)c1NC1CCCCC1 ZINC000045886134 564028781 /nfs/dbraw/zinc/02/87/81/564028781.db2.gz OURBPSIPYPGVFU-UHFFFAOYSA-N 0 0 333.613 4.755 40 5 EJBBRN [O-][n+]1c2c(c3ccccc3c3ccccc23)n(O)c1C1CCCCC1 ZINC000006864859 563589353 /nfs/dbraw/zinc/58/93/53/563589353.db2.gz ICTZGQPCGMEXBA-UHFFFAOYSA-N 0 0 332.403 4.866 40 5 EJBBRN COc1cccc(-c2cc(=O)c3c(ccc4ccccc43)o2)c1OC ZINC000039005892 563922433 /nfs/dbraw/zinc/92/24/33/563922433.db2.gz NMMUFXIBAVFQOH-UHFFFAOYSA-N 0 0 332.355 4.630 40 5 EJBBRN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3Cl)no2)ccc1Cl ZINC000013921068 563949891 /nfs/dbraw/zinc/94/98/91/563949891.db2.gz MFYUGYJXKPZGIM-UHFFFAOYSA-N 0 0 336.134 4.619 40 5 EJBBRN Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)c1 ZINC000000255382 563989468 /nfs/dbraw/zinc/98/94/68/563989468.db2.gz XTHCAVSROMSUQZ-UHFFFAOYSA-N 0 0 348.358 4.948 40 5 EJBBRN Cc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 ZINC000000258367 563989469 /nfs/dbraw/zinc/98/94/69/563989469.db2.gz PUJRMCZOPRZSJM-UHFFFAOYSA-N 0 0 336.347 4.724 40 5 EJBBRN Cc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccc1[N+](=O)[O-] ZINC000000290827 563990238 /nfs/dbraw/zinc/99/02/38/563990238.db2.gz CYOGMFQEHZJRFC-UHFFFAOYSA-N 0 0 344.370 4.727 40 5 EJBBRN CCc1cc2c(cc1OC)oc1cn3c(ccc4ccccc43)c1c2=O ZINC000000126563 563995941 /nfs/dbraw/zinc/99/59/41/563995941.db2.gz WAZAXFWUXZRLBC-UHFFFAOYSA-N 0 0 343.382 4.923 40 5 EJBBRN Cc1ccccc1Nc1ccccc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005590122 564005949 /nfs/dbraw/zinc/00/59/49/564005949.db2.gz QRWKNLBBXKNWFJ-UHFFFAOYSA-N 0 0 347.374 4.899 40 5 EJBBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3ccccc3nc2c1 ZINC000408974849 564008482 /nfs/dbraw/zinc/00/84/82/564008482.db2.gz HLVHNCSTBAMLLG-UHFFFAOYSA-N 0 0 335.451 4.728 40 5 EJBBRN O=C(Nc1ccccc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408975120 564008512 /nfs/dbraw/zinc/00/85/12/564008512.db2.gz HULMCJDKUOTODR-UHFFFAOYSA-N 0 0 338.370 4.517 40 5 EJBBRN Fc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1 ZINC000408977533 564008565 /nfs/dbraw/zinc/00/85/65/564008565.db2.gz WNABSFXENWYTCN-UHFFFAOYSA-N 0 0 348.406 4.731 40 5 EJBBRN O=C(Nc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005665089 564013104 /nfs/dbraw/zinc/01/31/04/564013104.db2.gz BWAZHNWZEVIGBV-UHFFFAOYSA-N 0 0 348.771 4.502 40 5 EJBBRN O=C(Nc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005674596 564017681 /nfs/dbraw/zinc/01/76/81/564017681.db2.gz XWWHPRKTDSMWAH-UHFFFAOYSA-N 0 0 326.139 4.546 40 5 EJBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc2c(Cl)cccc12 ZINC000014258290 564021866 /nfs/dbraw/zinc/02/18/66/564021866.db2.gz VXWAHXPARUPPNV-UHFFFAOYSA-N 0 0 326.739 4.654 40 5 EJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]21 ZINC000585162571 564052716 /nfs/dbraw/zinc/05/27/16/564052716.db2.gz MWKIJKCNHZZODI-WOVFQEGDSA-N 0 0 340.423 4.862 40 5 EJBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ccccc1 ZINC000005947597 564057229 /nfs/dbraw/zinc/05/72/29/564057229.db2.gz HAAOFCJUNSSMLY-UHFFFAOYSA-N 0 0 344.270 4.673 40 5 EJBBRN CC(C)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000001284168 564062899 /nfs/dbraw/zinc/06/28/99/564062899.db2.gz WHJKLJNBVPHALD-UHFFFAOYSA-N 0 0 341.392 4.580 40 5 EJBBRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000223394186 564073832 /nfs/dbraw/zinc/07/38/32/564073832.db2.gz YRXKWTCHECPLFY-CYBMUJFWSA-N 0 0 346.814 4.664 40 5 EJBBRN O=[N+]([O-])c1ccc(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)O2)cc1 ZINC000001686035 564082251 /nfs/dbraw/zinc/08/22/51/564082251.db2.gz SVORWJALIHGFJK-PMACEKPBSA-N 0 0 344.370 4.854 40 5 EJBBRN O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)cc1Br ZINC000026508307 564082731 /nfs/dbraw/zinc/08/27/31/564082731.db2.gz UZRXJDMXUXQIOL-UHFFFAOYSA-N 0 0 328.549 4.803 40 5 EJBBRN O=[N+]([O-])c1ccc(CSCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000016401870 564084792 /nfs/dbraw/zinc/08/47/92/564084792.db2.gz LVKLVROASYACBF-UHFFFAOYSA-N 0 0 338.772 4.590 40 5 EJBBRN O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccccc1[N+](=O)[O-] ZINC000016449816 564087021 /nfs/dbraw/zinc/08/70/21/564087021.db2.gz OIJDXVWVDNTVTO-UHFFFAOYSA-N 0 0 341.150 4.650 40 5 EJBBRN O=C(Nc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006885381 564100514 /nfs/dbraw/zinc/10/05/14/564100514.db2.gz CLSXXAHRDZSLDD-UHFFFAOYSA-N 0 0 342.738 4.761 40 5 EJBBRN O=C(Nc1ccccc1)N(c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000006927542 564101470 /nfs/dbraw/zinc/10/14/70/564101470.db2.gz DUOAGJPKRHIOCZ-UHFFFAOYSA-N 0 0 333.347 4.965 40 5 EJBBRN O=c1cc(/C=C/c2ccc3c(c2)OCO3)c2ccc3ccccc3c2o1 ZINC000006345265 564125914 /nfs/dbraw/zinc/12/59/14/564125914.db2.gz WFWFMNSKOOHQBD-FNORWQNLSA-N 0 0 342.350 4.845 40 5 EJBBRN CC(C)N(C(=S)Nc1cc2cccnc2c2ncccc12)C(C)C ZINC000006708414 564126180 /nfs/dbraw/zinc/12/61/80/564126180.db2.gz NNZRHWHGXGQWIU-UHFFFAOYSA-N 0 0 338.480 4.599 40 5 EJBBRN CN(C(=S)Nc1ccc2nc3ccccc3nc2c1)c1ccccc1 ZINC000107848574 564128712 /nfs/dbraw/zinc/12/87/12/564128712.db2.gz UNAKYGHFAZIKGC-UHFFFAOYSA-N 0 0 344.443 4.616 40 5 EJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc2c(Cl)cccc12 ZINC000009141714 564134251 /nfs/dbraw/zinc/13/42/51/564134251.db2.gz PELWVDSJVSDQHQ-UHFFFAOYSA-N 0 0 344.729 4.793 40 5 EJBBRN CC(C)(C)CC(C)(C)Nc1c2ccccc2sc(=O)c1[N+](=O)[O-] ZINC000004593976 210228952 /nfs/dbraw/zinc/22/89/52/210228952.db2.gz CDHBPCMYZCMSBN-UHFFFAOYSA-N 0 0 334.441 4.796 40 5 EJBBRN O=C(CNc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000101174628 219118524 /nfs/dbraw/zinc/11/85/24/219118524.db2.gz CJXDZBJMEOIPBO-UYRXBGFRSA-N 0 0 329.355 4.915 40 5 EJBBRN COc1ccccc1C(=O)Nc1ccnc2c3ccccc3ccc12 ZINC000040384281 213294623 /nfs/dbraw/zinc/29/46/23/213294623.db2.gz NHOJBQHRAXBPBX-UHFFFAOYSA-N 0 0 328.371 4.649 40 5 EJBBRN Cc1ccc(OCC(=O)Nc2ccnc3c4ccccc4ccc23)cc1 ZINC000040384349 213294696 /nfs/dbraw/zinc/29/46/96/213294696.db2.gz KQIRMJXVTHWPKM-UHFFFAOYSA-N 0 0 342.398 4.714 40 5 EJBBRN CCOc1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000001689070 209782435 /nfs/dbraw/zinc/78/24/35/209782435.db2.gz SSIUMHBXSUJTMW-UHFFFAOYSA-N 0 0 327.258 4.805 40 5 EJBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccc1Cl ZINC000039956419 213245909 /nfs/dbraw/zinc/24/59/09/213245909.db2.gz SUDVXFDCXOATGO-UHFFFAOYSA-N 0 0 330.693 4.879 40 5 EJBBRN O=C(Nc1ccccc1[N+](=O)[O-])C1[C@@H]2CC/C=C/CC/C=C/CC[C@H]12 ZINC000033417725 202260312 /nfs/dbraw/zinc/26/03/12/202260312.db2.gz TVPSUVVLKOFAJS-SWYJUGLSSA-N 0 0 340.423 4.862 40 5 EJBBRN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000072229024 216070756 /nfs/dbraw/zinc/07/07/56/216070756.db2.gz MHBVWSIMNPTITD-UHFFFAOYSA-N 0 0 345.569 4.807 40 5 EJBBRN O=[N+]([O-])c1cc(Cl)c(NC2CCCCC2)c(Br)c1 ZINC000045885884 201105110 /nfs/dbraw/zinc/10/51/10/201105110.db2.gz QFOPZCBMUDOLKY-UHFFFAOYSA-N 0 0 333.613 4.755 40 5 EJBBRN COc1c(Cl)cc(Cl)cc1-c1nc2ccc([N+](=O)[O-])cc2o1 ZINC000216730801 241205629 /nfs/dbraw/zinc/20/56/29/241205629.db2.gz KPKIWNOGFAHMEL-UHFFFAOYSA-N 0 0 339.134 4.718 40 5 EJBBRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000223401048 241645036 /nfs/dbraw/zinc/64/50/36/241645036.db2.gz BCZNELJBGSYFIO-ZDUSSCGKSA-N 0 0 346.814 4.664 40 5 EJBBRN C[C@@H]1CCC[C@@H](C)N1c1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000226316618 242098289 /nfs/dbraw/zinc/09/82/89/242098289.db2.gz CUPSDOGDPQWKAO-RKDXNWHRSA-N 0 0 347.640 4.778 40 5 EJBBRN C[C@@H]1[C@@H](C)CC(C)(C)C[C@@H]1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000020569303 212148268 /nfs/dbraw/zinc/14/82/68/212148268.db2.gz WZCPBHQNGPQOEP-SCRDCRAPSA-N 0 0 344.411 4.574 40 5 EJBBRN C[C@H]1[C@H](Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC(C)(C)C[C@@H]1C ZINC000020569300 212148187 /nfs/dbraw/zinc/14/81/87/212148187.db2.gz WZCPBHQNGPQOEP-OUCADQQQSA-N 0 0 344.411 4.574 40 5 EJBBRN CC(C)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007093772 210758634 /nfs/dbraw/zinc/75/86/34/210758634.db2.gz WAUUQOUVWNSXHB-UHFFFAOYSA-N 0 0 344.436 4.590 40 5 EJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000006796549 210713729 /nfs/dbraw/zinc/71/37/29/210713729.db2.gz PZTZCLQOPDOBEK-UHFFFAOYSA-N 0 0 340.166 4.854 40 5 EJBBRN O=[N+]([O-])c1ccc(Oc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004792145 210279036 /nfs/dbraw/zinc/27/90/36/210279036.db2.gz DIRVWEVJWFMTCC-UHFFFAOYSA-N 0 0 336.303 4.962 40 5 EJBBRN O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccccc1 ZINC000408976930 257884331 /nfs/dbraw/zinc/88/43/31/257884331.db2.gz SZXDBRXLPFPFBA-UHFFFAOYSA-N 0 0 338.370 4.517 40 5 EJBBRN O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc32)nc1 ZINC000005594131 563541781 /nfs/dbraw/zinc/54/17/81/563541781.db2.gz XEKOLQDJUMNOGB-UHFFFAOYSA-N 0 0 333.372 4.842 40 5 EJBBRN CC(=O)OCC/C(=C\c1cc2ccccc2c2ccccc12)[N+](=O)[O-] ZINC000017423037 563844418 /nfs/dbraw/zinc/84/44/18/563844418.db2.gz OAHAFQKXZJIBLO-GHRIWEEISA-N 0 0 335.359 4.564 40 5 EJBBRN CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)C1CCCCC1 ZINC000027529379 563896382 /nfs/dbraw/zinc/89/63/82/563896382.db2.gz NBODPKZBWWPYBD-UHFFFAOYSA-N 0 0 349.430 4.741 40 5 EJBBRN CC[C@@H](CO)Nc1nc2cc(Cl)ccc2c2ccc(Cl)cc21 ZINC000031719282 563912942 /nfs/dbraw/zinc/91/29/42/563912942.db2.gz WDRQHOZFUXMXCQ-LBPRGKRZSA-N 0 0 335.234 4.878 40 5 EJBBRN O=C(Nc1ccccc1[N+](=O)[O-])C1[C@@H]2CC/C=C\CC/C=C\CC[C@H]12 ZINC000033417724 563984256 /nfs/dbraw/zinc/98/42/56/563984256.db2.gz TVPSUVVLKOFAJS-GDGKYFCWSA-N 0 0 340.423 4.862 40 5 EJBBRN COc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408558014 563993429 /nfs/dbraw/zinc/99/34/29/563993429.db2.gz RKXHYZQOVJDWFR-UHFFFAOYSA-N 0 0 327.167 4.522 40 5 EJBBRN CN(C(=S)Nc1cc2cccnc2c2cccnc12)c1ccccc1 ZINC000408973524 564008469 /nfs/dbraw/zinc/00/84/69/564008469.db2.gz BITXUUBQHYSTFQ-UHFFFAOYSA-N 0 0 344.443 4.616 40 5 EJBBRN O=[N+]([O-])/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000006321595 564014705 /nfs/dbraw/zinc/01/47/05/564014705.db2.gz HQFFKXVLKUZNAQ-SNAWJCMRSA-N 0 0 342.153 4.959 40 5 EJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)Oc1ccc(-c2ccccc2)cc1 ZINC000001741224 564086205 /nfs/dbraw/zinc/08/62/05/564086205.db2.gz GGAIMIRWBNJNRW-UHFFFAOYSA-N 0 0 334.331 4.873 40 5 EJBBRN CCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006439977 564086315 /nfs/dbraw/zinc/08/63/15/564086315.db2.gz HMEYGYDRFJKRBO-UHFFFAOYSA-N 0 0 336.800 4.613 40 5 EJBBRN O=[N+]([O-])c1ccc(N(C2CCCCC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000169528317 564095899 /nfs/dbraw/zinc/09/58/99/564095899.db2.gz KKTVPHQHDYKTMM-UHFFFAOYSA-N 0 0 347.415 4.975 40 5 EJBBRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000006925815 564101459 /nfs/dbraw/zinc/10/14/59/564101459.db2.gz ONCPJBTXWNRJBG-UHFFFAOYSA-N 0 0 344.129 4.685 40 5 EJBBRN Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(C)c(Br)c3)oc21 ZINC000226248178 564117209 /nfs/dbraw/zinc/11/72/09/564117209.db2.gz VOTCVPCZINKEPN-UHFFFAOYSA-N 0 0 347.168 4.782 40 5 EJBBRN Cc1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1 ZINC000006477022 564126011 /nfs/dbraw/zinc/12/60/11/564126011.db2.gz NNTKGNYTPGUXEZ-UHFFFAOYSA-N 0 0 328.375 4.735 40 5 EJBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1 ZINC000006598229 564126108 /nfs/dbraw/zinc/12/61/08/564126108.db2.gz KYYJCPAHOXVWDN-UHFFFAOYSA-N 0 0 333.343 4.619 40 5 EJBBRN Cc1ccc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000008319653 564127199 /nfs/dbraw/zinc/12/71/99/564127199.db2.gz BXQCPGSAUOOUQF-UHFFFAOYSA-N 0 0 336.347 4.724 40 5 EJBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000033776632 564128394 /nfs/dbraw/zinc/12/83/94/564128394.db2.gz UHWKJYHDCMLMCD-UHFFFAOYSA-N 0 0 336.347 4.724 40 5 EJBBRN 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Cc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000010111780 564018367 /nfs/dbraw/zinc/01/83/67/564018367.db2.gz ICCYSBSHQONVBW-CQSZACIVSA-N 0 0 340.423 4.692 40 5 EJBBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000010111740 564018380 /nfs/dbraw/zinc/01/83/80/564018380.db2.gz QTIFZUGCUUPRMA-CQSZACIVSA-N 0 0 340.423 4.692 40 5 EJBBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000010111739 564018391 /nfs/dbraw/zinc/01/83/91/564018391.db2.gz QTIFZUGCUUPRMA-AWEZNQCLSA-N 0 0 340.423 4.692 40 5 EJBBRN CCSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000044900324 564027554 /nfs/dbraw/zinc/02/75/54/564027554.db2.gz YBHVRNLHVOVYLN-UHFFFAOYSA-N 0 0 336.800 4.613 40 5 EJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2ccccc2c1 ZINC000005905742 564056878 /nfs/dbraw/zinc/05/68/78/564056878.db2.gz RXCBRQDPFKLPRV-UHFFFAOYSA-N 0 0 326.739 4.654 40 5 EJBBRN Cc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000223401128 564074028 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COc1ccc(-c2ccc(-c3nc4cc(C)ccc4[nH]3)o2)cc1[N+](=O)[O-] ZINC000085345528 564116107 /nfs/dbraw/zinc/11/61/07/564116107.db2.gz YREKQSLJCGTXIM-UHFFFAOYSA-N 0 0 349.346 4.715 40 5 EJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000009141762 564134237 /nfs/dbraw/zinc/13/42/37/564134237.db2.gz XXLBSHMWXXCQII-UHFFFAOYSA-N 0 0 348.786 4.596 40 5 EJBBRN CCCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 ZINC000009141765 564134249 /nfs/dbraw/zinc/13/42/49/564134249.db2.gz SDNXFAIBUYOWDO-UHFFFAOYSA-N 0 0 348.786 4.598 40 5 EJBBRN O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000001671457 209778243 /nfs/dbraw/zinc/77/82/43/209778243.db2.gz AOCPJERKEMZUBU-UHFFFAOYSA-N 0 0 346.553 4.774 40 5 EJBBRN CCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229022 216070934 /nfs/dbraw/zinc/07/09/34/216070934.db2.gz LEXRZAFZZTWBIP-UHFFFAOYSA-N 0 0 339.178 4.716 40 5 EJBBRN CC(C)C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000022520603 212305141 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