smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NC(=O)[C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000052715263 206222317 /nfs/dbraw/zinc/22/23/17/206222317.db2.gz DCKVMESPPLJNGH-LJQANCHMSA-N 0 1 369.421 3.249 50 5 FGBAMN Cc1c(CN2CCC(NC(=O)c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000058165954 206394621 /nfs/dbraw/zinc/39/46/21/206394621.db2.gz ARVUKRYRTJMKAC-UHFFFAOYSA-N 0 1 359.451 3.359 50 5 FGBAMN N=C1S[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000005177305 493917556 /nfs/dbraw/zinc/91/75/56/493917556.db2.gz WMHMQHZSHCHZOV-CQSZACIVSA-N 0 1 370.390 3.007 50 5 FGBAMN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000089531814 494322133 /nfs/dbraw/zinc/32/21/33/494322133.db2.gz DBDXQAHPNYXANE-OAHLLOKOSA-N 0 1 355.394 3.151 50 5 FGBAMN Cc1[nH]nc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1[N+](=O)[O-] ZINC000084019435 571066389 /nfs/dbraw/zinc/06/63/89/571066389.db2.gz PWMAKQOINBMTLJ-UHFFFAOYSA-N 0 1 352.753 3.224 50 5 FGBAMN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000029174544 493822944 /nfs/dbraw/zinc/82/29/44/493822944.db2.gz GYCJOMIBWJVPSS-MRXNPFEDSA-N 0 1 373.478 3.469 50 5 FGBAMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000023105601 494549357 /nfs/dbraw/zinc/54/93/57/494549357.db2.gz OHLNIUAGXCFVTD-ZDUSSCGKSA-N 0 1 353.831 3.342 50 5 FGBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000001187987 493789694 /nfs/dbraw/zinc/78/96/94/493789694.db2.gz YPDBTGJSVASBPM-UHFFFAOYSA-N 0 1 357.185 3.158 50 5 FGBAMN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000029174547 493823143 /nfs/dbraw/zinc/82/31/43/493823143.db2.gz GYCJOMIBWJVPSS-INIZCTEOSA-N 0 1 373.478 3.469 50 5 FGBAMN CCOc1ccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000012776487 494257906 /nfs/dbraw/zinc/25/79/06/494257906.db2.gz QFUKBHFPDYXATQ-SFHVURJKSA-N 0 1 369.421 3.430 50 5 FGBAMN Cc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000013571937 494289477 /nfs/dbraw/zinc/28/94/77/494289477.db2.gz FRFVGVPPTQTSNA-UHFFFAOYSA-N 0 1 369.406 3.077 50 5 FGBAMN CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000002110505 204026714 /nfs/dbraw/zinc/02/67/14/204026714.db2.gz WJOMETTULQBNOH-UHFFFAOYSA-N 0 1 365.371 3.294 50 5 FGBAMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000002875382 204065245 /nfs/dbraw/zinc/06/52/45/204065245.db2.gz FRHWDLIPUAUEQU-UHFFFAOYSA-N 0 1 356.787 3.199 50 5 FGBAMN COc1cc(CN2CCc3c4ccccc4[nH]c3C2)cc([N+](=O)[O-])c1O ZINC000004990922 204183392 /nfs/dbraw/zinc/18/33/92/204183392.db2.gz QLYNKIDNQOCXNX-UHFFFAOYSA-N 0 1 353.378 3.349 50 5 FGBAMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245777 205267801 /nfs/dbraw/zinc/26/78/01/205267801.db2.gz LUKRCOSRGIBZJN-KGLIPLIRSA-N 0 1 351.422 3.251 50 5 FGBAMN CN(CCOc1ccccc1Cl)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000028065323 493774949 /nfs/dbraw/zinc/77/49/49/493774949.db2.gz ZRHZYDBOSXIUHC-UHFFFAOYSA-N 0 1 374.784 3.276 50 5 FGBAMN COc1cccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)c1 ZINC000100848889 495066442 /nfs/dbraw/zinc/06/64/42/495066442.db2.gz BZVMJEMSBNUIIM-QGZVFWFLSA-N 0 1 353.378 3.304 50 5 FGBAMN COc1ccc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000005485265 204210852 /nfs/dbraw/zinc/21/08/52/204210852.db2.gz ZSJYIJBQGSLVGT-UHFFFAOYSA-N 0 1 370.390 3.364 50 5 FGBAMN COc1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000005127088 206190556 /nfs/dbraw/zinc/19/05/56/206190556.db2.gz AQNNYOFFTFJNHN-UHFFFAOYSA-N 0 1 374.321 3.006 50 5 FGBAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000001404164 132381852 /nfs/dbraw/zinc/38/18/52/132381852.db2.gz RKEGZPGODGICGR-UHFFFAOYSA-N 0 1 374.828 3.252 50 5 FGBAMN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021018339 494486677 /nfs/dbraw/zinc/48/66/77/494486677.db2.gz RRQNEOVQHSIEDQ-UHFFFAOYSA-N 0 1 364.361 3.344 50 5 FGBAMN COc1cccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000054668620 205202254 /nfs/dbraw/zinc/20/22/54/205202254.db2.gz CVLKMPMJZUIVBF-KRWDZBQOSA-N 0 1 355.394 3.039 50 5 FGBAMN COc1ccc([N+](=O)[O-])cc1NC(=O)c1[nH]nc2c1CCc1ccccc1-2 ZINC000021018260 494486710 /nfs/dbraw/zinc/48/67/10/494486710.db2.gz KVOJYXHYOSJMHK-UHFFFAOYSA-N 0 1 364.361 3.344 50 5 FGBAMN O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000020379533 527047659 /nfs/dbraw/zinc/04/76/59/527047659.db2.gz LCGLHEYICVGYHB-UHFFFAOYSA-N 0 1 369.512 3.225 50 5 FGBAMN CCOC(=O)c1sc(C)c2c1[nH]c(-c1ccc([N+](=O)[O-])cc1)nc2=O ZINC000009041088 204351850 /nfs/dbraw/zinc/35/18/50/204351850.db2.gz HDAXHMXNFJIUTE-UHFFFAOYSA-N 0 1 359.363 3.045 50 5 FGBAMN Cc1cc(O)c(C2=NCCS[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1 ZINC000000754501 695535703 /nfs/dbraw/zinc/53/57/03/695535703.db2.gz TVQTZRMUIMVVAQ-HNNXBMFYSA-N 0 1 360.391 3.229 50 5 FGBAMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000058245774 493837653 /nfs/dbraw/zinc/83/76/53/493837653.db2.gz LUKRCOSRGIBZJN-UONOGXRCSA-N 0 1 351.422 3.251 50 5 FGBAMN COc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000004274685 207011068 /nfs/dbraw/zinc/01/10/68/207011068.db2.gz POVQYJKTTZFJMD-UHFFFAOYSA-N 0 1 358.379 3.211 50 5 FGBAMN Cc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001214315 493790210 /nfs/dbraw/zinc/79/02/10/493790210.db2.gz SFLZNAFCMLLWML-UHFFFAOYSA-N 0 1 371.212 3.467 50 5 FGBAMN COc1cc2c(cc1OC)[C@@H](C)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000002139157 493802414 /nfs/dbraw/zinc/80/24/14/493802414.db2.gz XFFHLKFEYXGVGD-FZKQIMNGSA-N 0 1 372.421 3.265 50 5 FGBAMN COc1ccccc1NC(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000029905870 493866666 /nfs/dbraw/zinc/86/66/66/493866666.db2.gz NVUCXRRTCDQFGN-UHFFFAOYSA-N 0 1 369.421 3.454 50 5 FGBAMN COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000017911473 494419610 /nfs/dbraw/zinc/41/96/10/494419610.db2.gz ZKLJCXWJOIPZTA-IBGZPJMESA-N 0 1 369.421 3.170 50 5 FGBAMN CCCCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004878528 207058904 /nfs/dbraw/zinc/05/89/04/207058904.db2.gz NJXKZVINPAKNAS-INIZCTEOSA-N 0 1 371.397 3.209 50 5 FGBAMN COc1cc(/C=C2/SC(=O)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1O ZINC000037369915 208178340 /nfs/dbraw/zinc/17/83/40/208178340.db2.gz AQSCKPDYJRRBPX-WUXMJOGZSA-N 0 1 352.368 3.001 50 5 FGBAMN Cc1cccc(OCCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1 ZINC000004674073 132387114 /nfs/dbraw/zinc/38/71/14/132387114.db2.gz YUASKPYMGRGXGC-UHFFFAOYSA-N 0 1 370.453 3.146 50 5 FGBAMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003833027 493857889 /nfs/dbraw/zinc/85/78/89/493857889.db2.gz BWLFUNQQASJFCD-UHFFFAOYSA-N 0 1 357.185 3.158 50 5 FGBAMN O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001132111 219376797 /nfs/dbraw/zinc/37/67/97/219376797.db2.gz GJZHYHATGFORGE-UHFFFAOYSA-N 0 1 352.681 3.371 50 5 FGBAMN CN1CCN(C(C)(C)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012561411 207394039 /nfs/dbraw/zinc/39/40/39/207394039.db2.gz AGNYKNKJPGNFHI-UHFFFAOYSA-N 0 1 360.380 3.052 50 5 FGBAMN C[C@@H]1CN(Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001641 208000021 /nfs/dbraw/zinc/00/00/21/208000021.db2.gz KHZPVYUWVBFKNQ-GASCZTMLSA-N 0 1 356.426 3.211 50 5 FGBAMN O=[N+]([O-])c1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000000865248 493777518 /nfs/dbraw/zinc/77/75/18/493777518.db2.gz BFUYCBZDDJDIOZ-UHFFFAOYSA-N 0 1 350.422 3.394 50 5 FGBAMN CC[C@@H]1c2ccsc2CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030224130 493881282 /nfs/dbraw/zinc/88/12/82/493881282.db2.gz LFRRDVIHILNILU-RHSMWYFYSA-N 0 1 362.451 3.405 50 5 FGBAMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000079050513 494396432 /nfs/dbraw/zinc/39/64/32/494396432.db2.gz PBEGHJVPEWCMIV-IUODEOHRSA-N 0 1 350.378 3.489 50 5 FGBAMN COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100848841 495066506 /nfs/dbraw/zinc/06/65/06/495066506.db2.gz VPFIMAOVCZSZFO-QGZVFWFLSA-N 0 1 353.378 3.304 50 5 FGBAMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000000805404 493773509 /nfs/dbraw/zinc/77/35/09/493773509.db2.gz LYVJPHZGXAVXSN-UHFFFAOYSA-N 0 1 371.212 3.467 50 5 FGBAMN O=[N+]([O-])c1cccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c1 ZINC000000865125 493777508 /nfs/dbraw/zinc/77/75/08/493777508.db2.gz NSJGAMJROSRJSY-UHFFFAOYSA-N 0 1 350.422 3.394 50 5 FGBAMN Cc1cccc(N2CCN(CC[C@@H](C)Nc3ncccc3[N+](=O)[O-])CC2)c1 ZINC000029621039 493847759 /nfs/dbraw/zinc/84/77/59/493847759.db2.gz AIOUZGNRYVAWCT-QGZVFWFLSA-N 0 1 369.469 3.311 50 5 FGBAMN COc1ccccc1NS(=O)(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000003876332 493859260 /nfs/dbraw/zinc/85/92/60/493859260.db2.gz NKOSCKZDNVRORL-UHFFFAOYSA-N 0 1 350.396 3.329 50 5 FGBAMN CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000004585264 493883328 /nfs/dbraw/zinc/88/33/28/493883328.db2.gz DLLSHQSUYGUXJC-UHFFFAOYSA-N 0 1 370.434 3.413 50 5 FGBAMN O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000065474307 494201791 /nfs/dbraw/zinc/20/17/91/494201791.db2.gz WEUYVVFBPBVRAK-BXUZGUMPSA-N 0 1 371.220 3.080 50 5 FGBAMN COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000010448510 207300514 /nfs/dbraw/zinc/30/05/14/207300514.db2.gz INKLOLBSSHTQMB-IBGZPJMESA-N 0 1 369.421 3.170 50 5 FGBAMN CC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003876417 493859366 /nfs/dbraw/zinc/85/93/66/493859366.db2.gz DXKLFVCMHQPLSS-UHFFFAOYSA-N 0 1 369.786 3.007 50 5 FGBAMN CN(C)[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000029931102 493868727 /nfs/dbraw/zinc/86/87/27/493868727.db2.gz STLOPNRRTWHGDK-ZGKFYVQTSA-N 0 1 357.385 3.166 50 5 FGBAMN COc1cccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000054668622 494258293 /nfs/dbraw/zinc/25/82/93/494258293.db2.gz CVLKMPMJZUIVBF-QGZVFWFLSA-N 0 1 355.394 3.039 50 5 FGBAMN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000089531813 494321832 /nfs/dbraw/zinc/32/18/32/494321832.db2.gz DBDXQAHPNYXANE-HNNXBMFYSA-N 0 1 355.394 3.151 50 5 FGBAMN CCCc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000008705990 207242338 /nfs/dbraw/zinc/24/23/38/207242338.db2.gz REYGEDBPMAFVHV-MRVPVSSYSA-N 0 1 369.834 3.438 50 5 FGBAMN CCCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000008705990 207242341 /nfs/dbraw/zinc/24/23/41/207242341.db2.gz REYGEDBPMAFVHV-MRVPVSSYSA-N 0 1 369.834 3.438 50 5 FGBAMN Cc1ccc(NC(=O)C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000058202376 493833177 /nfs/dbraw/zinc/83/31/77/493833177.db2.gz QBLNITHVXAKASU-UHFFFAOYSA-N 0 1 354.410 3.149 50 5 FGBAMN COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000017911472 494419231 /nfs/dbraw/zinc/41/92/31/494419231.db2.gz ZKLJCXWJOIPZTA-LJQANCHMSA-N 0 1 369.421 3.170 50 5 FGBAMN CC(=O)c1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000253428033 497333713 /nfs/dbraw/zinc/33/37/13/497333713.db2.gz GNKBZQNSJRZDFZ-UHFFFAOYSA-N 0 1 360.391 3.087 50 5 FGBAMN CCCCN(C)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1 ZINC000009608901 207278662 /nfs/dbraw/zinc/27/86/62/207278662.db2.gz UBXGUXLRGAITCS-UHFFFAOYSA-N 0 1 353.422 3.320 50 5 FGBAMN CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000045774095 208337716 /nfs/dbraw/zinc/33/77/16/208337716.db2.gz FRWXLJXZBBNBGU-UHFFFAOYSA-N 0 1 355.803 3.115 50 5 FGBAMN N=C1S[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000005218704 493920137 /nfs/dbraw/zinc/92/01/37/493920137.db2.gz XVXISDWEFHLYIK-AWEZNQCLSA-N 0 1 370.390 3.007 50 5 FGBAMN COc1ccccc1[C@@H](C)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000040080544 494129605 /nfs/dbraw/zinc/12/96/05/494129605.db2.gz SGBGALOMDQLQCO-LLVKDONJSA-N 0 1 354.366 3.313 50 5 FGBAMN CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000025329888 494724245 /nfs/dbraw/zinc/72/42/45/494724245.db2.gz XTYDOEWQTSLDNF-CQSZACIVSA-N 0 1 353.831 3.342 50 5 FGBAMN O=C(C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000008462983 571047523 /nfs/dbraw/zinc/04/75/23/571047523.db2.gz DWRLEMDHSFGCKK-RUZDIDTESA-N 0 1 373.308 3.327 50 5 FGBAMN COc1cc2c(cc1OC)[C@H](C)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000004026911 210228449 /nfs/dbraw/zinc/22/84/49/210228449.db2.gz XFFHLKFEYXGVGD-UGSOOPFHSA-N 0 1 372.421 3.265 50 5 FGBAMN COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc([N+](=O)[O-])c1O ZINC000022130628 220377324 /nfs/dbraw/zinc/37/73/24/220377324.db2.gz UTBOOHJGVUODTP-QGZVFWFLSA-N 0 1 355.350 3.038 50 5 FGBAMN Cc1ccc(NC(=O)CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004499200 493879528 /nfs/dbraw/zinc/87/95/28/493879528.db2.gz QXBWNAZYFDHMFX-UHFFFAOYSA-N 0 1 368.437 3.054 50 5 FGBAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024238682 494613920 /nfs/dbraw/zinc/61/39/20/494613920.db2.gz UNFWLOOIGQHGAL-UHFFFAOYSA-N 0 1 369.425 3.299 50 5 FGBAMN CC[C@H]1c2ccsc2CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030224128 493881569 /nfs/dbraw/zinc/88/15/69/493881569.db2.gz LFRRDVIHILNILU-PBHICJAKSA-N 0 1 362.451 3.405 50 5 FGBAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000006205603 493955367 /nfs/dbraw/zinc/95/53/67/493955367.db2.gz DWTZEZQDUGIOQU-HNNXBMFYSA-N 0 1 358.423 3.463 50 5 FGBAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000047323388 494680516 /nfs/dbraw/zinc/68/05/16/494680516.db2.gz LMESMPHOEQLLFI-UHFFFAOYSA-N 0 1 369.425 3.084 50 5 FGBAMN O=C(NCCCSc1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000095427667 494974713 /nfs/dbraw/zinc/97/47/13/494974713.db2.gz IQFWBEMXKZHZPM-UHFFFAOYSA-N 0 1 350.371 3.352 50 5 FGBAMN C[C@H]1CN(Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001642 493873034 /nfs/dbraw/zinc/87/30/34/493873034.db2.gz KHZPVYUWVBFKNQ-GJZGRUSLSA-N 0 1 356.426 3.211 50 5 FGBAMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000006315821 493958515 /nfs/dbraw/zinc/95/85/15/493958515.db2.gz IKXXAPZIFWACAI-UHFFFAOYSA-N 0 1 357.185 3.158 50 5 FGBAMN CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)N1CCc2ccccc2C1 ZINC000032445939 493990466 /nfs/dbraw/zinc/99/04/66/493990466.db2.gz NBXAEFPQZBHLET-SFHVURJKSA-N 0 1 367.449 3.470 50 5 FGBAMN 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