smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)NCc1csc([N+](=O)[O-])c1 ZINC000037472314 168389657 /nfs/dbraw/zinc/38/96/57/168389657.db2.gz PMVLPJCOZZVGDB-UHFFFAOYSA-N 0 3 228.317 2.935 20 5 BFBDHN CC/C=C/CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000395251253 344132536 /nfs/dbraw/zinc/13/25/36/344132536.db2.gz SWPDVZMWMLRIGH-SNAWJCMRSA-N 0 3 234.299 2.959 20 5 BFBDHN CCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000294677559 168497072 /nfs/dbraw/zinc/49/70/72/168497072.db2.gz BJFXIACAHGRPCT-UHFFFAOYSA-N 0 3 226.301 2.689 20 5 BFBDHN C[C@@H](C1CC1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000078723246 344901330 /nfs/dbraw/zinc/90/13/30/344901330.db2.gz RSEACSBUGXORQA-JTQLQIEISA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092471268 345623633 /nfs/dbraw/zinc/62/36/33/345623633.db2.gz RYCXRXRATGYMNT-FUEXJSSKSA-N 0 3 246.310 2.950 20 5 BFBDHN O=[N+]([O-])c1ccc(CNCC2=CCCC2)cc1 ZINC000401141719 346310873 /nfs/dbraw/zinc/31/08/73/346310873.db2.gz HBALOZGMZDFPNY-UHFFFAOYSA-N 0 3 232.283 2.795 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@@]23C[C@@H]2CCC3)cs1 ZINC000594954019 348148451 /nfs/dbraw/zinc/14/84/51/348148451.db2.gz WBNPLHRCTLJRFE-ONGXEEELSA-N 0 3 238.312 2.689 20 5 BFBDHN O=[N+]([O-])c1ccc(CN(C2CC2)C2CC2)cc1 ZINC000599595504 349222578 /nfs/dbraw/zinc/22/25/78/349222578.db2.gz VFJIVBWRQXSGGE-UHFFFAOYSA-N 0 3 232.283 2.722 20 5 BFBDHN O=[N+]([O-])c1cccc(CN(C2CC2)C2CC2)c1 ZINC000599593259 349222819 /nfs/dbraw/zinc/22/28/19/349222819.db2.gz CEECAHXMZJQQKW-UHFFFAOYSA-N 0 3 232.283 2.722 20 5 BFBDHN CC[C@@H](NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000324191417 350289709 /nfs/dbraw/zinc/28/97/09/350289709.db2.gz RGFLHLJFDASWEL-SNVBAGLBSA-N 0 3 240.328 2.935 20 5 BFBDHN O=[N+]([O-])c1ccc(CNCCC(F)(F)F)cc1 ZINC000063099225 351123106 /nfs/dbraw/zinc/12/31/06/351123106.db2.gz ZRHCUILYOGNHCF-UHFFFAOYSA-N 0 3 248.204 2.637 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403577063 353161350 /nfs/dbraw/zinc/16/13/50/353161350.db2.gz YYYKJFAPNXYBKE-RAIGVLPGSA-N 0 3 246.310 2.873 20 5 BFBDHN CC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC000385067845 356887804 /nfs/dbraw/zinc/88/78/04/356887804.db2.gz VKLWUODMFHACEK-ARJAWSKDSA-N 0 3 220.272 2.651 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC(C(C)C)C1 ZINC000619431185 358016647 /nfs/dbraw/zinc/01/66/47/358016647.db2.gz WXWUFRXBUAFRMZ-UHFFFAOYSA-N 0 3 248.326 2.991 20 5 BFBDHN CC1=CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000436265251 201316280 /nfs/dbraw/zinc/31/62/80/201316280.db2.gz RCXSGBGXZAGKDD-UHFFFAOYSA-N 0 3 246.310 2.789 20 5 BFBDHN CCC[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037472320 364055930 /nfs/dbraw/zinc/05/59/30/364055930.db2.gz UZXLSONMZJTMKL-QMMMGPOBSA-N 0 3 228.317 2.935 20 5 BFBDHN C/C=C/CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000309794785 370262501 /nfs/dbraw/zinc/26/25/01/370262501.db2.gz PXFFDCKIIYZHNA-FSIBCCDJSA-N 0 3 220.272 2.822 20 5 BFBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000353801952 371957828 /nfs/dbraw/zinc/95/78/28/371957828.db2.gz GTPLBEIGSSRHTB-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN CCN(Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000353817187 371959929 /nfs/dbraw/zinc/95/99/29/371959929.db2.gz NKAKCYOKCFECNQ-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN C[C@@H](CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000134229764 372184914 /nfs/dbraw/zinc/18/49/14/372184914.db2.gz IDHAEPXSYXNOHP-JTQLQIEISA-N 0 3 234.299 2.731 20 5 BFBDHN CCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000127536910 169081493 /nfs/dbraw/zinc/08/14/93/169081493.db2.gz IKEYHWCZXCJGKU-UHFFFAOYSA-N 0 3 222.288 2.745 20 5 BFBDHN CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171681625 169180036 /nfs/dbraw/zinc/18/00/36/169180036.db2.gz QLFYKOYDNSUHMJ-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN C[C@@H](F)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000339498888 383991230 /nfs/dbraw/zinc/99/12/30/383991230.db2.gz TVOWFIGJXBAGGH-MRVPVSSYSA-N 0 3 244.241 2.572 20 5 BFBDHN Cc1ccc(CN(C)C2CCC2)cc1[N+](=O)[O-] ZINC000093475756 384242805 /nfs/dbraw/zinc/24/28/05/384242805.db2.gz ASYWFHYWDKSHDY-UHFFFAOYSA-N 0 3 234.299 2.888 20 5 BFBDHN O=[N+]([O-])c1ccc(CNCCCCF)c(F)c1 ZINC000336727777 384260067 /nfs/dbraw/zinc/26/00/67/384260067.db2.gz WISFPVVEGNPGSG-UHFFFAOYSA-N 0 3 244.241 2.573 20 5 BFBDHN O=[N+]([O-])c1cccc(CCNCc2ccco2)c1 ZINC000158007311 384354862 /nfs/dbraw/zinc/35/48/62/384354862.db2.gz SAOAONYXOIQZLB-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248344159 384787042 /nfs/dbraw/zinc/78/70/42/384787042.db2.gz LFWSDDRKJXRVCB-MNOVXSKESA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@@H](F)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340466483 385276021 /nfs/dbraw/zinc/27/60/21/385276021.db2.gz ZKBUMCJKHDBCJQ-NXEZZACHSA-N 0 3 240.278 2.994 20 5 BFBDHN CC1(F)CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000449370013 386057533 /nfs/dbraw/zinc/05/75/33/386057533.db2.gz HIXLOAOEVZWGLL-UHFFFAOYSA-N 0 3 238.262 2.575 20 5 BFBDHN CC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC000160005538 386105433 /nfs/dbraw/zinc/10/54/33/386105433.db2.gz ZEWBUIIFACVBPC-UHFFFAOYSA-N 0 3 226.301 2.689 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCCC1 ZINC000103858481 387463434 /nfs/dbraw/zinc/46/34/34/387463434.db2.gz DMAOZEUHKHOPJG-ALCCZGGFSA-N 0 3 232.283 2.704 20 5 BFBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045770777 387994556 /nfs/dbraw/zinc/99/45/56/387994556.db2.gz DNBVMLLFTCGTCP-UHFFFAOYSA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@H]1C[C@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000548752911 388367894 /nfs/dbraw/zinc/36/78/94/388367894.db2.gz FUUORWDRRNWXOP-QWRGUYRKSA-N 0 3 234.299 2.620 20 5 BFBDHN Cc1c([C@H](C)NC2CC2)cccc1[N+](=O)[O-] ZINC000132715502 388368915 /nfs/dbraw/zinc/36/89/15/388368915.db2.gz PVMCAZRRXUPQFZ-VIFPVBQESA-N 0 3 220.272 2.716 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000449427307 388749511 /nfs/dbraw/zinc/74/95/11/388749511.db2.gz RPTCSIPAADYLKI-CYBMUJFWSA-N 0 3 232.283 2.579 20 5 BFBDHN CC(C)[C@@H]1C[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000449557251 388751349 /nfs/dbraw/zinc/75/13/49/388751349.db2.gz VJZYSYBXLWOHNH-STQMWFEESA-N 0 3 248.326 2.977 20 5 BFBDHN C[C@H](N[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424326261 388696124 /nfs/dbraw/zinc/69/61/24/388696124.db2.gz OSCKTCMXGRTTAF-JOYOIKCWSA-N 0 3 232.283 2.798 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CCC3(CC3)CC2)c1 ZINC000371342240 388696895 /nfs/dbraw/zinc/69/68/95/388696895.db2.gz WGULMHDWVGZKRA-UHFFFAOYSA-N 0 3 246.310 2.971 20 5 BFBDHN CSCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000068995292 388719325 /nfs/dbraw/zinc/71/93/25/388719325.db2.gz WKGOQVDLYFRELQ-VIFPVBQESA-N 0 3 240.328 2.608 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H]2C2CC2)c1 ZINC000377541434 388725609 /nfs/dbraw/zinc/72/56/09/388725609.db2.gz CXMWTMLHLAKNAJ-AWEZNQCLSA-N 0 3 246.310 2.969 20 5 BFBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000489443307 388726191 /nfs/dbraw/zinc/72/61/91/388726191.db2.gz WEBBTEFUHNEYNR-LBPRGKRZSA-N 0 3 234.299 2.825 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CC[C@@H](F)C2)c1 ZINC000342290407 135256588 /nfs/dbraw/zinc/25/65/88/135256588.db2.gz CXOQPURIMNTTFP-GHMZBOCLSA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H](F)C2)cc1 ZINC000342311256 135258886 /nfs/dbraw/zinc/25/88/86/135258886.db2.gz VXHMRNYTEIWUAJ-WDEREUQCSA-N 0 3 238.262 2.575 20 5 BFBDHN CC(C)[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037472344 167384692 /nfs/dbraw/zinc/38/46/92/167384692.db2.gz BPYFBHREVVAGIQ-MRVPVSSYSA-N 0 3 228.317 2.790 20 5 BFBDHN CC[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000309355031 171343199 /nfs/dbraw/zinc/34/31/99/171343199.db2.gz CGSOYLAOGZSCEY-QMMMGPOBSA-N 0 3 226.251 2.622 20 5 BFBDHN C[C@@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000128541887 176213070 /nfs/dbraw/zinc/21/30/70/176213070.db2.gz XITYWGMSHKKJLL-PSASIEDQSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C)C1 ZINC000299569542 177169614 /nfs/dbraw/zinc/16/96/14/177169614.db2.gz BJVTXEZQVTVLGH-WDEREUQCSA-N 0 3 234.299 2.998 20 5 BFBDHN C[C@@H]1CC[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000123275370 177187195 /nfs/dbraw/zinc/18/71/95/177187195.db2.gz XZBXISMYOGXITK-PHIMTYICSA-N 0 3 234.299 2.968 20 5 BFBDHN CC(C)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535247437 323169014 /nfs/dbraw/zinc/16/90/14/323169014.db2.gz PCFIBXXCRBFEIW-UHFFFAOYSA-N 0 3 248.326 2.999 20 5 BFBDHN CC(C)(NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000230673844 323398049 /nfs/dbraw/zinc/39/80/49/323398049.db2.gz QDIWPRHUYIQPQK-UHFFFAOYSA-N 0 3 240.328 2.935 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN(CC1CC1)C1CC1 ZINC000076350090 325342326 /nfs/dbraw/zinc/34/23/26/325342326.db2.gz KLOCESHATLMGQK-UHFFFAOYSA-N 0 3 246.310 2.969 20 5 BFBDHN CCCCC[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115544 582592412 /nfs/dbraw/zinc/59/24/12/582592412.db2.gz UUJXLRLFLZOFEJ-MNOVXSKESA-N 0 3 245.319 2.801 20 5 BFBDHN CC(C)(C)[C@@H](NCC[N+](=O)[O-])c1ccccc1 ZINC000791052538 583384371 /nfs/dbraw/zinc/38/43/71/583384371.db2.gz OZNPPCJGWZDACP-LBPRGKRZSA-N 0 3 236.315 2.640 20 5 BFBDHN CN[C@@H](C)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396835 584438528 /nfs/dbraw/zinc/43/85/28/584438528.db2.gz ZOSQANGBOIEEJA-QMMMGPOBSA-N 0 3 247.254 2.530 20 5 BFBDHN CCCC(=CC(=O)OCC(C)[N+](=O)[O-])CCC ZINC000813103251 586592067 /nfs/dbraw/zinc/59/20/67/586592067.db2.gz BEVIABKTBSNDOU-JTQLQIEISA-N 0 3 243.303 2.721 20 5 BFBDHN CC(COC(=O)[C@H](C)CCC(C)(C)C)[N+](=O)[O-] ZINC000813105769 586592659 /nfs/dbraw/zinc/59/26/59/586592659.db2.gz UJGGNBUKTZYAGZ-NXEZZACHSA-N 0 3 245.319 2.657 20 5 BFBDHN CCCC[C@@H](CC)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813110055 586593395 /nfs/dbraw/zinc/59/33/95/586593395.db2.gz ZCGHVDLTGARTKN-GHMZBOCLSA-N 0 3 245.319 2.801 20 5 BFBDHN CCCCC[C@@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112249 586593461 /nfs/dbraw/zinc/59/34/61/586593461.db2.gz DRPFVUOFLXBEMR-GHMZBOCLSA-N 0 3 245.319 2.801 20 5 BFBDHN CCCCC[C@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112252 586593559 /nfs/dbraw/zinc/59/35/59/586593559.db2.gz DRPFVUOFLXBEMR-QWRGUYRKSA-N 0 3 245.319 2.801 20 5 BFBDHN CC/C=C\CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834877741 587769125 /nfs/dbraw/zinc/76/91/25/587769125.db2.gz VFDQHWNUIZGTQC-UMCURTJPSA-N 0 3 249.314 2.794 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1C=CCC1 ZINC000850357942 588539499 /nfs/dbraw/zinc/53/94/99/588539499.db2.gz CGZSBYKWFIROKH-SCXUMTSISA-N 0 3 244.294 2.916 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1C=CCC1 ZINC000850506511 588553180 /nfs/dbraw/zinc/55/31/80/588553180.db2.gz FGWRVNHIIRXVKN-GXFFZTMASA-N 0 3 244.294 2.890 20 5 BFBDHN C[C@H](N[C@@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850507492 588553314 /nfs/dbraw/zinc/55/33/14/588553314.db2.gz FOLHKOYXBMLECQ-GXSJLCMTSA-N 0 3 247.298 2.546 20 5 BFBDHN CC1(C)CCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886157484 592165639 /nfs/dbraw/zinc/16/56/39/592165639.db2.gz BZKMKHSRSYARLK-NSHDSACASA-N 0 3 249.314 2.658 20 5 BFBDHN CC(C)=CCNCc1cccc([N+](=O)[O-])c1C ZINC000232617234 641306443 /nfs/dbraw/zinc/30/64/43/641306443.db2.gz AXJZOUOQCCPZNX-UHFFFAOYSA-N 0 3 234.299 2.959 20 5 BFBDHN CCCCC[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115546 643414883 /nfs/dbraw/zinc/41/48/83/643414883.db2.gz UUJXLRLFLZOFEJ-WDEREUQCSA-N 0 3 245.319 2.801 20 5 BFBDHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000922512798 644011699 /nfs/dbraw/zinc/01/16/99/644011699.db2.gz XEDZADYCVRUREH-FOUMNBMASA-N 0 3 246.310 2.729 20 5 BFBDHN Cc1cnccc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216481188 971092841 /nfs/dbraw/zinc/09/28/41/971092841.db2.gz UFDCTXIVAJBYHY-UHFFFAOYSA-N 0 3 247.229 2.603 20 5 BFBDHN Cc1cnccc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734336 977669094 /nfs/dbraw/zinc/66/90/94/977669094.db2.gz FTQPMYXDILWKGI-UHFFFAOYSA-N 0 3 247.229 2.603 20 5 BFBDHN CC[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC001473403214 983883739 /nfs/dbraw/zinc/88/37/39/983883739.db2.gz SLSQXGYXMYNKDP-QWRGUYRKSA-N 0 3 249.314 2.610 20 5 BFBDHN O=[N+]([O-])c1ccc(CCN2CC3(CCC3)C2)cc1 ZINC001308809918 991143241 /nfs/dbraw/zinc/14/32/41/991143241.db2.gz PJRZFQRRQRTNQD-UHFFFAOYSA-N 0 3 246.310 2.623 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@@H](C)F ZINC000339492215 178271557 /nfs/dbraw/zinc/27/15/57/178271557.db2.gz DPLRCFVHZZHCGY-SNVBAGLBSA-N 0 3 240.278 2.741 20 5 BFBDHN C[C@@H](NCc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000119631304 344443646 /nfs/dbraw/zinc/44/36/46/344443646.db2.gz ZISGZRSWMUORKH-MRVPVSSYSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076110464 344794754 /nfs/dbraw/zinc/79/47/54/344794754.db2.gz GPSIBENPKSYLFT-PHIMTYICSA-N 0 3 234.299 2.683 20 5 BFBDHN CC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145070249 345929477 /nfs/dbraw/zinc/92/94/77/345929477.db2.gz FSLXLWZRBSVFPS-GFCCVEGCSA-N 0 3 234.299 2.969 20 5 BFBDHN CCN(Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000183263397 347123414 /nfs/dbraw/zinc/12/34/14/347123414.db2.gz UGRYSIAUEJQFMP-UHFFFAOYSA-N 0 3 234.299 2.888 20 5 BFBDHN Cc1ccc(CN[C@@]23C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000594953321 348147899 /nfs/dbraw/zinc/14/78/99/348147899.db2.gz RPRKWHMEBRIRIX-JSGCOSHPSA-N 0 3 246.310 2.935 20 5 BFBDHN Cc1c(CN2CC[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595808581 348348780 /nfs/dbraw/zinc/34/87/80/348348780.db2.gz OCSKISLPAJGHFC-AAEUAGOBSA-N 0 3 246.310 2.745 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000309531266 350702587 /nfs/dbraw/zinc/70/25/87/350702587.db2.gz VZTUZRJWSUXDCW-JZYVYDRUSA-N 0 3 238.312 2.544 20 5 BFBDHN CC(C)[C@@H]1CCN1Cc1ccccc1[N+](=O)[O-] ZINC000342862378 350816867 /nfs/dbraw/zinc/81/68/67/350816867.db2.gz SMPROEWEFRDHNC-LBPRGKRZSA-N 0 3 234.299 2.825 20 5 BFBDHN O=[N+]([O-])c1cccc(CNCCC(F)(F)F)c1 ZINC000063099224 351123125 /nfs/dbraw/zinc/12/31/25/351123125.db2.gz ITPFZFORCJMFJQ-UHFFFAOYSA-N 0 3 248.204 2.637 20 5 BFBDHN CC[C@@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000054468871 363177981 /nfs/dbraw/zinc/17/79/81/363177981.db2.gz UNGCSSWFOOGIDN-MRVPVSSYSA-N 0 3 228.317 2.792 20 5 BFBDHN CC1(C)CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000290197053 188268653 /nfs/dbraw/zinc/26/86/53/188268653.db2.gz UHEVJEXGYONBKM-SECBINFHSA-N 0 3 240.328 2.935 20 5 BFBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1C[C@H]1C1CC1 ZINC000449739459 202016465 /nfs/dbraw/zinc/01/64/65/202016465.db2.gz AOUJWGWRHHZDEP-STQMWFEESA-N 0 3 246.310 2.731 20 5 BFBDHN CC(C)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606373 359970525 /nfs/dbraw/zinc/97/05/25/359970525.db2.gz SYMOXMGCDFSZCC-UHFFFAOYSA-N 0 3 234.299 2.609 20 5 BFBDHN CSCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000068995296 370871269 /nfs/dbraw/zinc/87/12/69/370871269.db2.gz WKGOQVDLYFRELQ-SECBINFHSA-N 0 3 240.328 2.608 20 5 BFBDHN CC[C@@H]1C[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000387944048 369400501 /nfs/dbraw/zinc/40/05/01/369400501.db2.gz AVRYJQZZJLXDJL-ZJUUUORDSA-N 0 3 240.328 2.792 20 5 BFBDHN CC(C)[C@@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000077897091 370493426 /nfs/dbraw/zinc/49/34/26/370493426.db2.gz XIRLJTJXODITNT-NSHDSACASA-N 0 3 236.315 2.977 20 5 BFBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000353799746 371959113 /nfs/dbraw/zinc/95/91/13/371959113.db2.gz ACTHWJDTIUNNCN-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN CCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183253113 169082115 /nfs/dbraw/zinc/08/21/15/169082115.db2.gz HAWAOOVDMNQZEK-UHFFFAOYSA-N 0 3 222.288 2.745 20 5 BFBDHN CCCN(CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774243 169128842 /nfs/dbraw/zinc/12/88/42/169128842.db2.gz VGXVNQLYZLAHAO-UHFFFAOYSA-N 0 3 240.278 2.966 20 5 BFBDHN CCC[C@H](C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337310671 384396766 /nfs/dbraw/zinc/39/67/66/384396766.db2.gz BEFNBHDVOWPZIJ-JTQLQIEISA-N 0 3 249.314 2.537 20 5 BFBDHN CSCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070184426 384465702 /nfs/dbraw/zinc/46/57/02/384465702.db2.gz PFLHRKLMCFLXCZ-SECBINFHSA-N 0 3 240.328 2.608 20 5 BFBDHN C[C@H](F)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340462823 385228228 /nfs/dbraw/zinc/22/82/28/385228228.db2.gz PYKQWXXXOOFUJX-UWVGGRQHSA-N 0 3 240.278 2.994 20 5 BFBDHN C[C@@H](NCC[C@H](C)F)c1cccc([N+](=O)[O-])c1 ZINC000340466486 385276215 /nfs/dbraw/zinc/27/62/15/385276215.db2.gz ZKBUMCJKHDBCJQ-VHSXEESVSA-N 0 3 240.278 2.994 20 5 BFBDHN CC(C)C1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000292855001 385728870 /nfs/dbraw/zinc/72/88/70/385728870.db2.gz AGIMIQPCSJKZSC-UHFFFAOYSA-N 0 3 240.328 2.935 20 5 BFBDHN Cc1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000569472801 385991552 /nfs/dbraw/zinc/99/15/52/385991552.db2.gz SQBNGDNXWIBOCI-IMRBUKKESA-N 0 3 246.310 2.791 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@H]2C=CCCC2)cc1 ZINC000151173887 386515588 /nfs/dbraw/zinc/51/55/88/386515588.db2.gz YKTQPVODTQFBIS-LBPRGKRZSA-N 0 3 232.283 2.793 20 5 BFBDHN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248370185 386555415 /nfs/dbraw/zinc/55/54/15/386555415.db2.gz XDURKVFYQSCCHB-MNOVXSKESA-N 0 3 234.299 2.825 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000153022070 388395887 /nfs/dbraw/zinc/39/58/87/388395887.db2.gz FZFCAXAQFJBPBS-TXEJJXNPSA-N 0 3 246.310 2.827 20 5 BFBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000173921226 388432070 /nfs/dbraw/zinc/43/20/70/388432070.db2.gz HWBVWZSSYJGXSM-UHFFFAOYSA-N 0 3 220.272 2.579 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]1C1CC1 ZINC000449430793 388749007 /nfs/dbraw/zinc/74/90/07/388749007.db2.gz YLYJVZXJEXLBKF-CQSZACIVSA-N 0 3 246.310 2.888 20 5 BFBDHN Cc1ccc(CN[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424182714 388694902 /nfs/dbraw/zinc/69/49/02/388694902.db2.gz HGFVAQQPVYZOFQ-GFCCVEGCSA-N 0 3 232.283 2.545 20 5 BFBDHN C[C@@H](N[C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424326263 388695809 /nfs/dbraw/zinc/69/58/09/388695809.db2.gz OSCKTCMXGRTTAF-SKDRFNHKSA-N 0 3 232.283 2.798 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000426456816 388710757 /nfs/dbraw/zinc/71/07/57/388710757.db2.gz XACOUCSRSLRATQ-TZMCWYRMSA-N 0 3 246.310 2.969 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426455011 388710908 /nfs/dbraw/zinc/71/09/08/388710908.db2.gz SAVZFWBSWSVFEP-AAEUAGOBSA-N 0 3 246.310 2.969 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC[C@@H](F)C1 ZINC000342279265 135255638 /nfs/dbraw/zinc/25/56/38/135255638.db2.gz DFKPYDOBDFKFKE-GHMZBOCLSA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@H]1C1CC1 ZINC000348086369 136034800 /nfs/dbraw/zinc/03/48/00/136034800.db2.gz YVSIFOOASPYODV-STQMWFEESA-N 0 3 246.310 2.873 20 5 BFBDHN CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125071887 171010702 /nfs/dbraw/zinc/01/07/02/171010702.db2.gz VLAWKMYBONCBQQ-LLVKDONJSA-N 0 3 234.299 2.827 20 5 BFBDHN C[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000042975700 176074280 /nfs/dbraw/zinc/07/42/80/176074280.db2.gz OPCPVIGJIWJVIO-LLVKDONJSA-N 0 3 234.299 2.969 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)C1 ZINC000299569524 176179762 /nfs/dbraw/zinc/17/97/62/176179762.db2.gz BJVTXEZQVTVLGH-GHMZBOCLSA-N 0 3 234.299 2.998 20 5 BFBDHN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000248370186 177164771 /nfs/dbraw/zinc/16/47/71/177164771.db2.gz XDURKVFYQSCCHB-QWRGUYRKSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@H]1CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000309051157 177195875 /nfs/dbraw/zinc/19/58/75/177195875.db2.gz PVWHUTYMSIMKNL-CBAPKCEASA-N 0 3 226.301 2.544 20 5 BFBDHN O=[N+]([O-])c1cccc(CNC2(C3CC3)CC2)c1 ZINC000532373273 323256084 /nfs/dbraw/zinc/25/60/84/323256084.db2.gz HLGMUDIMPUMYJH-UHFFFAOYSA-N 0 3 232.283 2.627 20 5 BFBDHN O=[N+]([O-])c1cccc(CCNCc2ccoc2)c1 ZINC000758612872 585357899 /nfs/dbraw/zinc/35/78/99/585357899.db2.gz ZHIDHIKZZSJTDK-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[C@@H]21 ZINC000761087335 585407680 /nfs/dbraw/zinc/40/76/80/585407680.db2.gz FCJPCGWBYUGUHH-BREBYQMCSA-N 0 3 232.283 2.750 20 5 BFBDHN C[C@@H](C1CC1)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC000798194230 586139494 /nfs/dbraw/zinc/13/94/94/586139494.db2.gz XSEHPXASGDOMLR-LBPRGKRZSA-N 0 3 248.326 2.564 20 5 BFBDHN CC[C@H]1C[C@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886027045 592135451 /nfs/dbraw/zinc/13/54/51/592135451.db2.gz BPGHVJFCUMJDKH-JQWIXIFHSA-N 0 3 249.314 2.610 20 5 BFBDHN C[C@@H]1CCCc2ccccc2[C@@H]1NCC[N+](=O)[O-] ZINC000905211723 637698317 /nfs/dbraw/zinc/69/83/17/637698317.db2.gz FKIVAUBUJGRBQX-BXUZGUMPSA-N 0 3 248.326 2.566 20 5 BFBDHN Cc1ccc(C)c([C@H]2CCCN2CC[N+](=O)[O-])c1 ZINC000929833218 641723756 /nfs/dbraw/zinc/72/37/56/641723756.db2.gz GEHJMVWYWAEICI-CQSZACIVSA-N 0 3 248.326 2.717 20 5 BFBDHN Cc1cnccc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210950533 957957453 /nfs/dbraw/zinc/95/74/53/957957453.db2.gz XULJATIYMIMDSN-UHFFFAOYSA-N 0 3 247.229 2.603 20 5 BFBDHN Cc1ncc(Nc2cc([N+](=O)[O-])ccc2C)n1C ZINC001211288194 970215164 /nfs/dbraw/zinc/21/51/64/970215164.db2.gz JTBJOAWFKZCBFI-UHFFFAOYSA-N 0 3 246.270 2.689 20 5 BFBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)C1 ZINC001173226456 975072769 /nfs/dbraw/zinc/07/27/69/975072769.db2.gz LSTZDZCGUWSDBQ-LLVKDONJSA-N 0 3 248.326 2.868 20 5 BFBDHN CCN(CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266667198 398191765 /nfs/dbraw/zinc/19/17/65/398191765.db2.gz NWTQSXOIIVKSIY-SNVBAGLBSA-N 0 3 222.288 2.998 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)C1 ZINC000273418582 178271079 /nfs/dbraw/zinc/27/10/79/178271079.db2.gz IZZXLQHXEACUCD-JTQLQIEISA-N 0 3 234.299 2.745 20 5 BFBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076111005 344795155 /nfs/dbraw/zinc/79/51/55/344795155.db2.gz BMXXMEFYLKSENE-GHMZBOCLSA-N 0 3 234.299 2.683 20 5 BFBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000076113609 344796880 /nfs/dbraw/zinc/79/68/80/344796880.db2.gz VWIICEFWJDPZIP-GHMZBOCLSA-N 0 3 234.299 2.683 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC(C2CC2)C1 ZINC000589736877 346734567 /nfs/dbraw/zinc/73/45/67/346734567.db2.gz VTFQRLBZHSEQSJ-UHFFFAOYSA-N 0 3 246.310 2.745 20 5 BFBDHN Cc1cc(SCCN(C)C)c([N+](=O)[O-])s1 ZINC000596154590 348453356 /nfs/dbraw/zinc/45/33/56/348453356.db2.gz CIPODCDTTRZXFP-UHFFFAOYSA-N 0 3 246.357 2.618 20 5 BFBDHN CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774237 362965595 /nfs/dbraw/zinc/96/55/95/362965595.db2.gz DGWMUDAXWQIYJM-UHFFFAOYSA-N 0 3 238.262 2.718 20 5 BFBDHN Cc1c(CN(C)CC2CC2)cccc1[N+](=O)[O-] ZINC000052128483 350957225 /nfs/dbraw/zinc/95/72/25/350957225.db2.gz HPTINQKSXVBXRD-UHFFFAOYSA-N 0 3 234.299 2.745 20 5 BFBDHN CCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000063756012 356424606 /nfs/dbraw/zinc/42/46/06/356424606.db2.gz LVEHAGXQTZVHND-UHFFFAOYSA-N 0 3 222.288 2.745 20 5 BFBDHN O=[N+]([O-])c1ccc(CCN2CCCCC2)cc1 ZINC000001666801 357076198 /nfs/dbraw/zinc/07/61/98/357076198.db2.gz NYPUAPKNWBOVQV-UHFFFAOYSA-N 0 3 234.299 2.623 20 5 BFBDHN CC1(C)C[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582615683 357353081 /nfs/dbraw/zinc/35/30/81/357353081.db2.gz AZJFCKQTVQOBJB-AAEUAGOBSA-N 0 3 246.310 2.970 20 5 BFBDHN O=[N+]([O-])c1ccc(CNCC2CC2)c(Cl)c1 ZINC000049963061 358707428 /nfs/dbraw/zinc/70/74/28/358707428.db2.gz ILIJLDNOCLNEBE-UHFFFAOYSA-N 0 3 240.690 2.748 20 5 BFBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000050015562 358710700 /nfs/dbraw/zinc/71/07/00/358710700.db2.gz BPRRBKVFXINLPI-JTQLQIEISA-N 0 3 234.299 2.873 20 5 BFBDHN CC(C)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000075610029 359340001 /nfs/dbraw/zinc/34/00/01/359340001.db2.gz VEFAAKAMOLCSDD-UHFFFAOYSA-N 0 3 234.299 2.968 20 5 BFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCF ZINC000437243404 201346931 /nfs/dbraw/zinc/34/69/31/201346931.db2.gz BZYNQNHHLNLFGD-JXMROGBWSA-N 0 3 238.262 2.557 20 5 BFBDHN C[C@H]1C[C@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853497 365386060 /nfs/dbraw/zinc/38/60/60/365386060.db2.gz NMCFIBROVCFNDS-JQWIXIFHSA-N 0 3 246.310 2.609 20 5 BFBDHN CC[C@@H](C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000060575145 368546813 /nfs/dbraw/zinc/54/68/13/368546813.db2.gz DGHMMEPRPFDWCE-SNVBAGLBSA-N 0 3 222.288 2.825 20 5 BFBDHN C/C=C\CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000309794788 370262314 /nfs/dbraw/zinc/26/23/14/370262314.db2.gz PXFFDCKIIYZHNA-UMBAGQNISA-N 0 3 220.272 2.822 20 5 BFBDHN C/C=C\CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000309794790 370262397 /nfs/dbraw/zinc/26/23/97/370262397.db2.gz PXFFDCKIIYZHNA-XOULXFPDSA-N 0 3 220.272 2.822 20 5 BFBDHN O=[N+]([O-])c1ccccc1CNCCc1ccco1 ZINC000035121606 182949085 /nfs/dbraw/zinc/94/90/85/182949085.db2.gz PTRIOKGERABQLW-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368042 169266298 /nfs/dbraw/zinc/26/62/98/169266298.db2.gz WIMNSIXNQGTIMQ-UHFFFAOYSA-N 0 3 228.679 2.748 20 5 BFBDHN CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443283 169266315 /nfs/dbraw/zinc/26/63/15/169266315.db2.gz UUAMUVFKWCSVTR-UHFFFAOYSA-N 0 3 228.679 2.748 20 5 BFBDHN CCN(CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000156916708 383862321 /nfs/dbraw/zinc/86/23/21/383862321.db2.gz PHKOBNWXNVZJCN-UHFFFAOYSA-N 0 3 222.288 2.745 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@H]2CC=CCC2)cs1 ZINC000080122453 384452978 /nfs/dbraw/zinc/45/29/78/384452978.db2.gz NPNCHCSEAXHPEL-JTQLQIEISA-N 0 3 238.312 2.855 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H]1C1CC1 ZINC000363385442 384471533 /nfs/dbraw/zinc/47/15/33/384471533.db2.gz ZBDLCXGYOILBSX-ZDUSSCGKSA-N 0 3 246.310 2.969 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@H]2CC[C@@H](F)C2)cs1 ZINC000309489094 384532653 /nfs/dbraw/zinc/53/26/53/384532653.db2.gz HTAYSZABSTZUCI-BDAKNGLRSA-N 0 3 244.291 2.637 20 5 BFBDHN C[C@@H](F)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000340462822 385228123 /nfs/dbraw/zinc/22/81/23/385228123.db2.gz PYKQWXXXOOFUJX-NXEZZACHSA-N 0 3 240.278 2.994 20 5 BFBDHN C[C@@H](F)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340465095 385233333 /nfs/dbraw/zinc/23/33/33/385233333.db2.gz UXCWAECKXDSODN-ZJUUUORDSA-N 0 3 240.278 2.994 20 5 BFBDHN C[C@@H](F)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340465091 385233633 /nfs/dbraw/zinc/23/36/33/385233633.db2.gz UXCWAECKXDSODN-NXEZZACHSA-N 0 3 240.278 2.994 20 5 BFBDHN C[C@@H](F)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340466488 385276386 /nfs/dbraw/zinc/27/63/86/385276386.db2.gz ZKBUMCJKHDBCJQ-ZJUUUORDSA-N 0 3 240.278 2.994 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CC3CCC2CC3)c1 ZINC000367396931 386505988 /nfs/dbraw/zinc/50/59/88/386505988.db2.gz OQEQEOSUQAIJHW-UHFFFAOYSA-N 0 3 246.310 2.969 20 5 BFBDHN CCC1(NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000294664349 386990916 /nfs/dbraw/zinc/99/09/16/386990916.db2.gz AIOKDBWXCROUMK-UHFFFAOYSA-N 0 3 234.299 2.935 20 5 BFBDHN CCN(Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000192969899 388127455 /nfs/dbraw/zinc/12/74/55/388127455.db2.gz DMJLLNRIIBDUMW-UHFFFAOYSA-N 0 3 222.288 2.825 20 5 BFBDHN CCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000179393877 256513422 /nfs/dbraw/zinc/51/34/22/256513422.db2.gz NGUOFGMQVDZFRM-SECBINFHSA-N 0 3 238.287 2.664 20 5 BFBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000143739574 388266395 /nfs/dbraw/zinc/26/63/95/388266395.db2.gz XBPWHZIAPAXIJN-UHFFFAOYSA-N 0 3 238.262 2.718 20 5 BFBDHN Cc1c(CN2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000174419512 388440487 /nfs/dbraw/zinc/44/04/87/388440487.db2.gz QMBRMWWDKFNDRN-SNVBAGLBSA-N 0 3 234.299 2.888 20 5 BFBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CC23CC3)cs1 ZINC000418100929 388675249 /nfs/dbraw/zinc/67/52/49/388675249.db2.gz RQHRTXABALOFIU-VIFPVBQESA-N 0 3 238.312 2.546 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000426456815 388710977 /nfs/dbraw/zinc/71/09/77/388710977.db2.gz XACOUCSRSLRATQ-OCCSQVGLSA-N 0 3 246.310 2.969 20 5 BFBDHN CC(C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525906 167132051 /nfs/dbraw/zinc/13/20/51/167132051.db2.gz QQPJJOXGVNMMNK-VIFPVBQESA-N 0 3 208.261 2.654 20 5 BFBDHN CC1(C)[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172949669 168013594 /nfs/dbraw/zinc/01/35/94/168013594.db2.gz HCZWHFICSFENCL-BETUJISGSA-N 0 3 246.310 2.683 20 5 BFBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)C1 ZINC000266555431 176026244 /nfs/dbraw/zinc/02/62/44/176026244.db2.gz VRRZVOQMWNXRKG-MNOVXSKESA-N 0 3 234.299 2.998 20 5 BFBDHN C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000352733516 176167331 /nfs/dbraw/zinc/16/73/31/176167331.db2.gz RYCXRXRATGYMNT-TXNVCOODSA-N 0 3 246.310 2.950 20 5 BFBDHN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177909707 176175692 /nfs/dbraw/zinc/17/56/92/176175692.db2.gz XDURKVFYQSCCHB-GHMZBOCLSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000076114650 177110706 /nfs/dbraw/zinc/11/07/06/177110706.db2.gz IKFHNRIGDJJPKQ-JTQLQIEISA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@@H]1CC[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000123328121 177186841 /nfs/dbraw/zinc/18/68/41/177186841.db2.gz DKLPPWVMCWWYRK-PHIMTYICSA-N 0 3 234.299 2.968 20 5 BFBDHN C[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000128541651 177205370 /nfs/dbraw/zinc/20/53/70/177205370.db2.gz XITYWGMSHKKJLL-WPRPVWTQSA-N 0 3 240.328 2.935 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC12CC2 ZINC000564469283 325793777 /nfs/dbraw/zinc/79/37/77/325793777.db2.gz BNTBYCLFYJPIQN-AAEUAGOBSA-N 0 3 244.294 2.724 20 5 BFBDHN CN[C@H](C)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396834 584438461 /nfs/dbraw/zinc/43/84/61/584438461.db2.gz ZOSQANGBOIEEJA-MRVPVSSYSA-N 0 3 247.254 2.530 20 5 BFBDHN CCCC(=CC(=O)OCC(C)[N+](=O)[O-])CCC ZINC000813103253 586592053 /nfs/dbraw/zinc/59/20/53/586592053.db2.gz BEVIABKTBSNDOU-SNVBAGLBSA-N 0 3 243.303 2.721 20 5 BFBDHN CC/C=C/CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834877740 587769123 /nfs/dbraw/zinc/76/91/23/587769123.db2.gz VFDQHWNUIZGTQC-ORAHPGNNSA-N 0 3 249.314 2.794 20 5 BFBDHN CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015894 589855884 /nfs/dbraw/zinc/85/58/84/589855884.db2.gz ADGZSEHKSICJGJ-QMMMGPOBSA-N 0 3 226.251 2.795 20 5 BFBDHN Cc1c(CN2CC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877562629 590360296 /nfs/dbraw/zinc/36/02/96/590360296.db2.gz YCKGKUGOUFQXLJ-CQSZACIVSA-N 0 3 246.310 2.888 20 5 BFBDHN CCCN(CCC)Cc1cccnc1[N+](=O)[O-] ZINC000885954204 592114470 /nfs/dbraw/zinc/11/44/70/592114470.db2.gz QLWVRKREBMBEAX-UHFFFAOYSA-N 0 3 237.303 2.612 20 5 BFBDHN CC[C@@H](C)[C@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000886112355 592156460 /nfs/dbraw/zinc/15/64/60/592156460.db2.gz VVBYGUDOJXDGRY-ZJUUUORDSA-N 0 3 237.303 2.514 20 5 BFBDHN CC[C@@H](C)[C@@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000886112352 592156562 /nfs/dbraw/zinc/15/65/62/592156562.db2.gz VVBYGUDOJXDGRY-NXEZZACHSA-N 0 3 237.303 2.514 20 5 BFBDHN Cc1ccc(CNCC[N+](=O)[O-])c2ccccc12 ZINC000905287194 637740282 /nfs/dbraw/zinc/74/02/82/637740282.db2.gz ZDOGHDUUNUZJMF-UHFFFAOYSA-N 0 3 244.294 2.515 20 5 BFBDHN Cc1ccc(C)c([C@@H]2CCCN2CC[N+](=O)[O-])c1 ZINC000929833211 641724215 /nfs/dbraw/zinc/72/42/15/641724215.db2.gz GEHJMVWYWAEICI-AWEZNQCLSA-N 0 3 248.326 2.717 20 5 BFBDHN CC(C)[C@@H](c1ccccc1)N(C)CC[N+](=O)[O-] ZINC000929632195 646214099 /nfs/dbraw/zinc/21/40/99/646214099.db2.gz WFYSVDWDXUMCHY-ZDUSSCGKSA-N 0 3 236.315 2.592 20 5 BFBDHN Cc1ccc(CN[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000700565328 711995928 /nfs/dbraw/zinc/99/59/28/711995928.db2.gz NSABTAJJKXXNMG-GFCCVEGCSA-N 0 3 232.283 2.711 20 5 BFBDHN CC(COC(=O)C(C)(C)CC(C)(C)C)[N+](=O)[O-] ZINC001123042116 990495254 /nfs/dbraw/zinc/49/52/54/990495254.db2.gz KAGVMZKBGWTNSY-SECBINFHSA-N 0 3 245.319 2.657 20 5 BFBDHN C[C@H](NCc1cc[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC001560588380 991508214 /nfs/dbraw/zinc/50/82/14/991508214.db2.gz VIMQRLXQUXIVTB-JTQLQIEISA-N 0 3 245.282 2.774 20 5 BFBDHN CC1(C)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000076013692 344020211 /nfs/dbraw/zinc/02/02/11/344020211.db2.gz PXCALYFRATZUNC-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN CCCN(CC)Cc1ccccc1[N+](=O)[O-] ZINC000047697940 343439702 /nfs/dbraw/zinc/43/97/02/343439702.db2.gz LJJVIGYXTQJJRF-UHFFFAOYSA-N 0 3 222.288 2.827 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000397708342 323088659 /nfs/dbraw/zinc/08/86/59/323088659.db2.gz NXYXMBXDHZVZPX-ILWJIGKKSA-N 0 3 238.312 2.544 20 5 BFBDHN C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092471267 345623380 /nfs/dbraw/zinc/62/33/80/345623380.db2.gz RYCXRXRATGYMNT-FVOPLDGLSA-N 0 3 246.310 2.950 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378881017 345694892 /nfs/dbraw/zinc/69/48/92/345694892.db2.gz GPNPJPZVHDGGEE-WXHSDQCUSA-N 0 3 246.310 2.873 20 5 BFBDHN CC(C)=CCNCc1ccc([N+](=O)[O-])cc1C ZINC000191629262 187314394 /nfs/dbraw/zinc/31/43/94/187314394.db2.gz PWQCCVAMLSALTD-UHFFFAOYSA-N 0 3 234.299 2.959 20 5 BFBDHN CC1(C)C[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000594996365 348168306 /nfs/dbraw/zinc/16/83/06/348168306.db2.gz MUYJBITUTDICHG-CYBMUJFWSA-N 0 3 234.299 2.873 20 5 BFBDHN Cc1c(CN2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595916349 348400571 /nfs/dbraw/zinc/40/05/71/348400571.db2.gz QISDOWINNIOAAL-UHFFFAOYSA-N 0 3 246.310 2.888 20 5 BFBDHN CC(C)[C@@H]1CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000342864051 350816746 /nfs/dbraw/zinc/81/67/46/350816746.db2.gz ZOEGFPFHRXSXIR-ZDUSSCGKSA-N 0 3 234.299 2.825 20 5 BFBDHN CC(C)(NCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000291698459 188036497 /nfs/dbraw/zinc/03/64/97/188036497.db2.gz JXIYKLCLQLPEIS-UHFFFAOYSA-N 0 3 234.299 2.830 20 5 BFBDHN O=[N+]([O-])c1cc(CNC2CCCC2)cs1 ZINC000037472313 364052413 /nfs/dbraw/zinc/05/24/13/364052413.db2.gz RFMHROZYCGXVBN-UHFFFAOYSA-N 0 3 226.301 2.689 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCCF ZINC000575136921 365218094 /nfs/dbraw/zinc/21/80/94/365218094.db2.gz NYOROWUFOSEUHN-LLVKDONJSA-N 0 3 238.262 2.531 20 5 BFBDHN C[C@@H]1C[C@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853498 365386129 /nfs/dbraw/zinc/38/61/29/365386129.db2.gz NMCFIBROVCFNDS-PWSUYJOCSA-N 0 3 246.310 2.609 20 5 BFBDHN CC1(C)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000077382797 370414340 /nfs/dbraw/zinc/41/43/40/370414340.db2.gz LKIZTTSTTWMFIS-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H]2C2CC2)cc1 ZINC000602677468 371830255 /nfs/dbraw/zinc/83/02/55/371830255.db2.gz HYWGXSMDUKGEAJ-CQSZACIVSA-N 0 3 246.310 2.622 20 5 BFBDHN CC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506009 371815539 /nfs/dbraw/zinc/81/55/39/371815539.db2.gz ROWCOUISWLASDC-QMMMGPOBSA-N 0 3 249.270 2.624 20 5 BFBDHN CC(C)(C)CNCc1csc([N+](=O)[O-])c1 ZINC000040493067 373325793 /nfs/dbraw/zinc/32/57/93/373325793.db2.gz OXDALPYTSZUBAL-UHFFFAOYSA-N 0 3 228.317 2.792 20 5 BFBDHN Cc1ccc(CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000158713660 384136533 /nfs/dbraw/zinc/13/65/33/384136533.db2.gz GBUYKWYWTVDXOI-UHFFFAOYSA-N 0 3 222.288 2.743 20 5 BFBDHN C[C@H](F)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340466484 385274373 /nfs/dbraw/zinc/27/43/73/385274373.db2.gz ZKBUMCJKHDBCJQ-UWVGGRQHSA-N 0 3 240.278 2.994 20 5 BFBDHN CC/C=C/CNCc1cccc([N+](=O)[O-])c1 ZINC000295092680 385432043 /nfs/dbraw/zinc/43/20/43/385432043.db2.gz RVMABMKUZJAOQT-ONEGZZNKSA-N 0 3 220.272 2.651 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CC12CC2 ZINC000564469285 385545375 /nfs/dbraw/zinc/54/53/75/385545375.db2.gz BNTBYCLFYJPIQN-DGCLKSJQSA-N 0 3 244.294 2.724 20 5 BFBDHN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248366876 386568304 /nfs/dbraw/zinc/56/83/04/386568304.db2.gz SQMKDMDRSGMRQA-MNOVXSKESA-N 0 3 234.299 2.825 20 5 BFBDHN CCCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774171 388378044 /nfs/dbraw/zinc/37/80/44/388378044.db2.gz YTSUZVBKLWSOBC-UHFFFAOYSA-N 0 3 240.278 2.966 20 5 BFBDHN C[C@@H](N[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424320790 388696472 /nfs/dbraw/zinc/69/64/72/388696472.db2.gz JRAMTSPEVCGHNA-BXKDBHETSA-N 0 3 232.283 2.798 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000426456812 388710643 /nfs/dbraw/zinc/71/06/43/388710643.db2.gz XACOUCSRSLRATQ-GXTWGEPZSA-N 0 3 246.310 2.969 20 5 BFBDHN CSCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000068994772 388719976 /nfs/dbraw/zinc/71/99/76/388719976.db2.gz UPDUUPMPPDEWMM-SECBINFHSA-N 0 3 240.328 2.608 20 5 BFBDHN C[C@H](NCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000020525923 388774340 /nfs/dbraw/zinc/77/43/40/388774340.db2.gz VGZWGTVYVCNESP-VIFPVBQESA-N 0 3 220.272 2.655 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@H](F)C1 ZINC000342279267 135255913 /nfs/dbraw/zinc/25/59/13/135255913.db2.gz DFKPYDOBDFKFKE-QWRGUYRKSA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@H]2CC[C@H](F)C2)c1 ZINC000342290410 135256391 /nfs/dbraw/zinc/25/63/91/135256391.db2.gz CXOQPURIMNTTFP-QWRGUYRKSA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC[C@@H]1C1CC1 ZINC000348086362 136034713 /nfs/dbraw/zinc/03/47/13/136034713.db2.gz YVSIFOOASPYODV-CHWSQXEVSA-N 0 3 246.310 2.873 20 5 BFBDHN CC(C)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525914 167012263 /nfs/dbraw/zinc/01/22/63/167012263.db2.gz FXBFEBJRHOWIJM-JTQLQIEISA-N 0 3 222.288 2.901 20 5 BFBDHN CC1(C)[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000172968016 168013773 /nfs/dbraw/zinc/01/37/73/168013773.db2.gz CBLDWOXVEXHHAC-TXEJJXNPSA-N 0 3 246.310 2.683 20 5 BFBDHN CCC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000037472307 168299559 /nfs/dbraw/zinc/29/95/59/168299559.db2.gz VVBYXXRTASINHZ-UHFFFAOYSA-N 0 3 228.317 2.935 20 5 BFBDHN CC[C@@H]1CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000292875171 171024269 /nfs/dbraw/zinc/02/42/69/171024269.db2.gz WXANMZMBOPBFOD-GFCCVEGCSA-N 0 3 234.299 2.888 20 5 BFBDHN C[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000080460288 176233415 /nfs/dbraw/zinc/23/34/15/176233415.db2.gz XARYTWIRXXTDDW-PWSUYJOCSA-N 0 3 234.299 2.873 20 5 BFBDHN C[C@@H](NCC[C@H](C)F)c1ccc([N+](=O)[O-])cc1 ZINC000340465093 176741762 /nfs/dbraw/zinc/74/17/62/176741762.db2.gz UXCWAECKXDSODN-VHSXEESVSA-N 0 3 240.278 2.994 20 5 BFBDHN Cc1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000569472796 322967503 /nfs/dbraw/zinc/96/75/03/322967503.db2.gz SQBNGDNXWIBOCI-DABQJJPHSA-N 0 3 246.310 2.791 20 5 BFBDHN O=[N+]([O-])CCN1CCC[C@H](c2ccccc2)CC1 ZINC000791053010 583385508 /nfs/dbraw/zinc/38/55/08/583385508.db2.gz RSORVQWEIFRZGD-AWEZNQCLSA-N 0 3 248.326 2.533 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897953265 584064032 /nfs/dbraw/zinc/06/40/32/584064032.db2.gz ODYRISSVTHIUET-KGYLQXTDSA-N 0 3 246.310 2.873 20 5 BFBDHN CC(COC(=O)C1CCCCCCC1)[N+](=O)[O-] ZINC000813103206 586591963 /nfs/dbraw/zinc/59/19/63/586591963.db2.gz AWDMOPQXSQKVLL-JTQLQIEISA-N 0 3 243.303 2.555 20 5 BFBDHN CC[C@@H](C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107209 586592690 /nfs/dbraw/zinc/59/26/90/586592690.db2.gz MPSVYBDAGKLCLC-GHMZBOCLSA-N 0 3 245.319 2.801 20 5 BFBDHN CC[C@H](C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107213 586592918 /nfs/dbraw/zinc/59/29/18/586592918.db2.gz MPSVYBDAGKLCLC-WDEREUQCSA-N 0 3 245.319 2.801 20 5 BFBDHN CC(COC(=O)CC1CCCCCC1)[N+](=O)[O-] ZINC000813108239 586593349 /nfs/dbraw/zinc/59/33/49/586593349.db2.gz WKRPZDYADIAWHL-JTQLQIEISA-N 0 3 243.303 2.555 20 5 BFBDHN C/C=C\CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862530140 589218114 /nfs/dbraw/zinc/21/81/14/589218114.db2.gz JHEBHXULHRPSPN-IHWYPQMZSA-N 0 3 240.690 2.914 20 5 BFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC12CC2 ZINC000873132980 589985455 /nfs/dbraw/zinc/98/54/55/589985455.db2.gz AGLYKRDLVIPRPT-ZDUSSCGKSA-N 0 3 246.310 2.854 20 5 BFBDHN CC(C)[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000885965112 592116870 /nfs/dbraw/zinc/11/68/70/592116870.db2.gz JLZNSZKVRIHEDT-LBPRGKRZSA-N 0 3 249.314 2.610 20 5 BFBDHN C[C@@H]1CCCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886127159 592158662 /nfs/dbraw/zinc/15/86/62/592158662.db2.gz CQYHIEDCBZIBSU-PWSUYJOCSA-N 0 3 249.314 2.658 20 5 BFBDHN C[C@@H]1CCCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886127160 592159090 /nfs/dbraw/zinc/15/90/90/592159090.db2.gz CQYHIEDCBZIBSU-ZYHUDNBSSA-N 0 3 249.314 2.658 20 5 BFBDHN C[C@@H](NCc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886269239 592192084 /nfs/dbraw/zinc/19/20/84/592192084.db2.gz PAOSIQJCNSMIIO-SECBINFHSA-N 0 3 237.303 2.514 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000886333014 592211324 /nfs/dbraw/zinc/21/13/24/592211324.db2.gz BNHQRIDCXQDEPP-MXWKQRLJSA-N 0 3 232.283 2.608 20 5 BFBDHN O=[N+]([O-])CCN(Cc1ccccc1)CC1CCC1 ZINC000791054204 635763578 /nfs/dbraw/zinc/76/35/78/635763578.db2.gz YMVNZWGVMIHLOG-UHFFFAOYSA-N 0 3 248.326 2.565 20 5 BFBDHN C[C@@H]1CCCc2ccccc2[C@H]1NCC[N+](=O)[O-] ZINC000905211725 637697620 /nfs/dbraw/zinc/69/76/20/637697620.db2.gz FKIVAUBUJGRBQX-RISCZKNCSA-N 0 3 248.326 2.566 20 5 BFBDHN O=[N+]([O-])CCN[C@@H](CC1CCC1)c1ccccc1 ZINC000930243998 639652637 /nfs/dbraw/zinc/65/26/37/639652637.db2.gz DKXLEZXFDMNVMI-AWEZNQCLSA-N 0 3 248.326 2.784 20 5 BFBDHN CN(CC[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000930700001 639865827 /nfs/dbraw/zinc/86/58/27/639865827.db2.gz MDYKLDBAKVVUQN-UONOGXRCSA-N 0 3 248.326 2.531 20 5 BFBDHN Cc1cccc(C)c1[C@H]1CCCN1CC[N+](=O)[O-] ZINC000930923386 639991012 /nfs/dbraw/zinc/99/10/12/639991012.db2.gz PHMPEOQDDDYTBK-CYBMUJFWSA-N 0 3 248.326 2.717 20 5 BFBDHN C=C/C=C/CCNCc1csc([N+](=O)[O-])c1 ZINC000713495617 712462723 /nfs/dbraw/zinc/46/27/23/712462723.db2.gz KRPMEQZMTLWIQZ-ONEGZZNKSA-N 0 3 238.312 2.878 20 5 BFBDHN Cc1ncc(Nc2ccc(C)c([N+](=O)[O-])c2)n1C ZINC001213666034 970375995 /nfs/dbraw/zinc/37/59/95/970375995.db2.gz YDPZUDZDZVGIBU-UHFFFAOYSA-N 0 3 246.270 2.689 20 5 BFBDHN Cc1ccc([C@@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000020083071 398303997 /nfs/dbraw/zinc/30/39/97/398303997.db2.gz ZVODSGMZCWPJNI-SECBINFHSA-N 0 3 220.272 2.716 20 5 BFBDHN C[C@@H]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893196 398309533 /nfs/dbraw/zinc/30/95/33/398309533.db2.gz GEJJZLVNPJTYJU-MNOVXSKESA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@@H]1C[C@H](C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000524893198 398309584 /nfs/dbraw/zinc/30/95/84/398309584.db2.gz GEJJZLVNPJTYJU-WDEREUQCSA-N 0 3 234.299 2.825 20 5 BFBDHN CCC1(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000379735056 343606139 /nfs/dbraw/zinc/60/61/39/343606139.db2.gz HQXDSSXZILYOAB-UHFFFAOYSA-N 0 3 238.262 2.766 20 5 BFBDHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000135457608 344408908 /nfs/dbraw/zinc/40/89/08/344408908.db2.gz KJIXIRPILBEPEG-GARJFASQSA-N 0 3 234.299 2.901 20 5 BFBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000119631195 344444322 /nfs/dbraw/zinc/44/43/22/344444322.db2.gz ZISGZRSWMUORKH-QMMMGPOBSA-N 0 3 240.328 2.935 20 5 BFBDHN CC(C)CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605399 345543559 /nfs/dbraw/zinc/54/35/59/345543559.db2.gz BOKZIHYRBGJPSY-UHFFFAOYSA-N 0 3 248.326 2.999 20 5 BFBDHN Cc1ccc(CN2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093503476 345674682 /nfs/dbraw/zinc/67/46/82/345674682.db2.gz SGMNVCYEJQWILP-TXEJJXNPSA-N 0 3 248.326 2.991 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@@]23C[C@@H]2CCC3)c1 ZINC000594953438 348148618 /nfs/dbraw/zinc/14/86/18/348148618.db2.gz STCWUKWJLKZKGK-AAEUAGOBSA-N 0 3 232.283 2.627 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000595807568 348349073 /nfs/dbraw/zinc/34/90/73/348349073.db2.gz KNUQEHXJJGUJQM-RAIGVLPGSA-N 0 3 246.310 2.998 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2C[C@H]2C1 ZINC000597224146 348694462 /nfs/dbraw/zinc/69/44/62/348694462.db2.gz YUHBNWDUQXAWRA-AAEUAGOBSA-N 0 3 246.310 2.745 20 5 BFBDHN C/C=C/CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599080635 349096201 /nfs/dbraw/zinc/09/62/01/349096201.db2.gz ICKLAKYJKJQRAR-QAVQXKDTSA-N 0 3 232.283 2.748 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC1CC1 ZINC000072578678 351281736 /nfs/dbraw/zinc/28/17/36/351281736.db2.gz FNYSFOLZUWSKCI-SNVBAGLBSA-N 0 3 234.299 2.998 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2C[C@@H]2C1 ZINC000600193130 351421404 /nfs/dbraw/zinc/42/14/04/351421404.db2.gz VOIYFJSHUKNWNO-VFWWJLHSSA-N 0 3 244.294 2.560 20 5 BFBDHN CC(C)=CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285283912 188034007 /nfs/dbraw/zinc/03/40/07/188034007.db2.gz RIWVFVWKHAGREJ-JTQLQIEISA-N 0 3 249.314 2.794 20 5 BFBDHN CCCCCNCc1ccccc1[N+](=O)[O-] ZINC000020039693 356486879 /nfs/dbraw/zinc/48/68/79/356486879.db2.gz BEKQDMBYCMCOGM-UHFFFAOYSA-N 0 3 222.288 2.875 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000582736972 357377455 /nfs/dbraw/zinc/37/74/55/357377455.db2.gz MTQATXOMZHNXOK-WDNDVIMCSA-N 0 3 246.310 2.791 20 5 BFBDHN C[C@@H]1C[C@@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415670 371631267 /nfs/dbraw/zinc/63/12/67/371631267.db2.gz OPFJKWKNLFZJDX-ZYHUDNBSSA-N 0 3 246.310 2.609 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2C3CCC2CC3)c1 ZINC000602150743 371791566 /nfs/dbraw/zinc/79/15/66/371791566.db2.gz OUJCLIKYGDDWHQ-UHFFFAOYSA-N 0 3 232.283 2.722 20 5 BFBDHN CC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000174250416 374156089 /nfs/dbraw/zinc/15/60/89/374156089.db2.gz AJDHQHKETPEGDQ-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171679812 169175423 /nfs/dbraw/zinc/17/54/23/169175423.db2.gz OJFPXKWNPJWQNB-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN CCC[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000020040563 169370706 /nfs/dbraw/zinc/37/07/06/169370706.db2.gz QHQFJDYHFLSSKV-SNVBAGLBSA-N 0 3 222.288 2.873 20 5 BFBDHN Cc1c(CN2C[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362434188 384214879 /nfs/dbraw/zinc/21/48/79/384214879.db2.gz LWWLIPJVGGRHLY-GHMZBOCLSA-N 0 3 248.326 2.991 20 5 BFBDHN C[C@H](NCCCF)c1cccc([N+](=O)[O-])c1 ZINC000126953252 384227821 /nfs/dbraw/zinc/22/78/21/384227821.db2.gz FEJWDMMHLYKHII-VIFPVBQESA-N 0 3 226.251 2.605 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@@H]2CC[C@H](F)C2)cs1 ZINC000309489097 384533490 /nfs/dbraw/zinc/53/34/90/384533490.db2.gz HTAYSZABSTZUCI-DTWKUNHWSA-N 0 3 244.291 2.637 20 5 BFBDHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294957884 386760047 /nfs/dbraw/zinc/76/00/47/386760047.db2.gz YVTFAPQXMAMHDT-PELKAZGASA-N 0 3 249.314 2.626 20 5 BFBDHN C[C@@H]1C[C@@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000548752909 388368011 /nfs/dbraw/zinc/36/80/11/388368011.db2.gz FUUORWDRRNWXOP-GHMZBOCLSA-N 0 3 234.299 2.620 20 5 BFBDHN Cc1c([C@@H](C)NC2CC2)cccc1[N+](=O)[O-] ZINC000132715307 388368242 /nfs/dbraw/zinc/36/82/42/388368242.db2.gz PVMCAZRRXUPQFZ-SECBINFHSA-N 0 3 220.272 2.716 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000449427308 388748849 /nfs/dbraw/zinc/74/88/49/388748849.db2.gz RPTCSIPAADYLKI-ZDUSSCGKSA-N 0 3 232.283 2.579 20 5 BFBDHN CCC[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000020040566 388753198 /nfs/dbraw/zinc/75/31/98/388753198.db2.gz QHQFJDYHFLSSKV-JTQLQIEISA-N 0 3 222.288 2.873 20 5 BFBDHN C[C@H](N[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424320794 388695790 /nfs/dbraw/zinc/69/57/90/388695790.db2.gz JRAMTSPEVCGHNA-JOYOIKCWSA-N 0 3 232.283 2.798 20 5 BFBDHN CC(C)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153184952 388947527 /nfs/dbraw/zinc/94/75/27/388947527.db2.gz FILMESHZJPUTGK-UHFFFAOYSA-N 0 3 234.299 2.609 20 5 BFBDHN CC[C@H]1CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000348059848 136024066 /nfs/dbraw/zinc/02/40/66/136024066.db2.gz BQOXODRICBNQJP-JQWIXIFHSA-N 0 3 234.299 2.873 20 5 BFBDHN CC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC000295113629 397756092 /nfs/dbraw/zinc/75/60/92/397756092.db2.gz VKLWUODMFHACEK-ONEGZZNKSA-N 0 3 220.272 2.651 20 5 BFBDHN CC(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368055 167117691 /nfs/dbraw/zinc/11/76/91/167117691.db2.gz WJECOMRVDMQMCZ-UHFFFAOYSA-N 0 3 228.679 2.746 20 5 BFBDHN CC[C@H](C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000337211134 171307672 /nfs/dbraw/zinc/30/76/72/171307672.db2.gz DGHMMEPRPFDWCE-JTQLQIEISA-N 0 3 222.288 2.825 20 5 BFBDHN C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000076114646 176110147 /nfs/dbraw/zinc/11/01/47/176110147.db2.gz IKFHNRIGDJJPKQ-SNVBAGLBSA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000248344160 177165860 /nfs/dbraw/zinc/16/58/60/177165860.db2.gz LFWSDDRKJXRVCB-QWRGUYRKSA-N 0 3 234.299 2.825 20 5 BFBDHN CC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000224182828 535155175 /nfs/dbraw/zinc/15/51/75/535155175.db2.gz LOEWJDFRUHFCGC-UHFFFAOYSA-N 0 3 226.301 2.546 20 5 BFBDHN CCCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000857029223 588883061 /nfs/dbraw/zinc/88/30/61/588883061.db2.gz KWHCWNMFNAVCQW-GHMZBOCLSA-N 0 3 245.319 2.657 20 5 BFBDHN CCC[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835454249 584926022 /nfs/dbraw/zinc/92/60/22/584926022.db2.gz IOJYMAINRZSWBE-GHMZBOCLSA-N 0 3 245.319 2.657 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1C=CCC1 ZINC000850506513 588553390 /nfs/dbraw/zinc/55/33/90/588553390.db2.gz FGWRVNHIIRXVKN-MFKMUULPSA-N 0 3 244.294 2.890 20 5 BFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC12CC2 ZINC000873132976 589985575 /nfs/dbraw/zinc/98/55/75/589985575.db2.gz AGLYKRDLVIPRPT-CYBMUJFWSA-N 0 3 246.310 2.854 20 5 BFBDHN CC[C@H](C)[C@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000886112353 592156530 /nfs/dbraw/zinc/15/65/30/592156530.db2.gz VVBYGUDOJXDGRY-UWVGGRQHSA-N 0 3 237.303 2.514 20 5 BFBDHN C[C@H](NCc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000886129795 592159996 /nfs/dbraw/zinc/15/99/96/592159996.db2.gz OGPUYESYUMPEBX-JTQLQIEISA-N 0 3 249.314 2.658 20 5 BFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886346814 592213382 /nfs/dbraw/zinc/21/33/82/592213382.db2.gz RPNRJWPWFUDOCG-UTUOFQBUSA-N 0 3 246.310 2.916 20 5 BFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC000886346812 592213665 /nfs/dbraw/zinc/21/36/65/592213665.db2.gz RPNRJWPWFUDOCG-SDDRHHMPSA-N 0 3 246.310 2.916 20 5 BFBDHN CC[C@H](c1ccccc1)N(CC)CC[N+](=O)[O-] ZINC000929384476 646106108 /nfs/dbraw/zinc/10/61/08/646106108.db2.gz GEEXZXZKSRIMOC-CYBMUJFWSA-N 0 3 236.315 2.736 20 5 BFBDHN Cc1cccc(C2(NCC[N+](=O)[O-])CCCC2)c1 ZINC000929963366 646379179 /nfs/dbraw/zinc/37/91/79/646379179.db2.gz PDKVYRBAIWCIJA-UHFFFAOYSA-N 0 3 248.326 2.631 20 5 BFBDHN CCc1cc(Nc2ccccc2[N+](=O)[O-])ccn1 ZINC001206150499 968091895 /nfs/dbraw/zinc/09/18/95/968091895.db2.gz WZEOPMMTYHDUIV-UHFFFAOYSA-N 0 3 243.266 2.718 20 5 BFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]1C ZINC001254552033 969738469 /nfs/dbraw/zinc/73/84/69/969738469.db2.gz IFRLWNJYDGZTLT-QWRGUYRKSA-N 0 3 234.299 2.620 20 5 BFBDHN CC[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC001473403212 987425571 /nfs/dbraw/zinc/42/55/71/987425571.db2.gz SLSQXGYXMYNKDP-GHMZBOCLSA-N 0 3 249.314 2.610 20 5 BFBDHN Cc1ccc([C@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000020083075 398303819 /nfs/dbraw/zinc/30/38/19/398303819.db2.gz ZVODSGMZCWPJNI-VIFPVBQESA-N 0 3 220.272 2.716 20 5 BFBDHN C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133319 343659656 /nfs/dbraw/zinc/65/96/56/343659656.db2.gz DHMOOQQSPFWUCR-GHMZBOCLSA-N 0 3 234.299 2.825 20 5 BFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC1 ZINC000132713422 344592368 /nfs/dbraw/zinc/59/23/68/344592368.db2.gz QMPMHCXDACYEQT-SECBINFHSA-N 0 3 220.272 2.716 20 5 BFBDHN CC[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000340676942 345616991 /nfs/dbraw/zinc/61/69/91/345616991.db2.gz KHXOCRLVMPIYOF-GFCCVEGCSA-N 0 3 234.299 2.969 20 5 BFBDHN Cc1ccc(CN2C[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093503477 345674712 /nfs/dbraw/zinc/67/47/12/345674712.db2.gz SGMNVCYEJQWILP-VXGBXAGGSA-N 0 3 248.326 2.991 20 5 BFBDHN Cc1ccc(CN[C@]23C[C@H]2CCC3)cc1[N+](=O)[O-] ZINC000594953323 348147802 /nfs/dbraw/zinc/14/78/02/348147802.db2.gz RPRKWHMEBRIRIX-TZMCWYRMSA-N 0 3 246.310 2.935 20 5 BFBDHN CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006564 348157983 /nfs/dbraw/zinc/15/79/83/348157983.db2.gz KPEGULQXKNKEDY-VIFPVBQESA-N 0 3 238.287 2.664 20 5 BFBDHN CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006563 348158230 /nfs/dbraw/zinc/15/82/30/348158230.db2.gz KPEGULQXKNKEDY-SECBINFHSA-N 0 3 238.287 2.664 20 5 BFBDHN CC(C)(F)CCNCc1csc([N+](=O)[O-])c1 ZINC000594974111 348162757 /nfs/dbraw/zinc/16/27/57/348162757.db2.gz YZLBURHNZWRQFU-UHFFFAOYSA-N 0 3 246.307 2.884 20 5 BFBDHN CC[C@H](C)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595363491 348230394 /nfs/dbraw/zinc/23/03/94/348230394.db2.gz DMFFCJGQEHDAMT-VIFPVBQESA-N 0 3 240.278 2.964 20 5 BFBDHN Cc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597222517 348693261 /nfs/dbraw/zinc/69/32/61/348693261.db2.gz DTKIUHANAADKOL-STQMWFEESA-N 0 3 246.310 2.745 20 5 BFBDHN CC(C)[C@H]1CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000342864050 350816838 /nfs/dbraw/zinc/81/68/38/350816838.db2.gz ZOEGFPFHRXSXIR-CYBMUJFWSA-N 0 3 234.299 2.825 20 5 BFBDHN O=[N+]([O-])c1ccc(CNCCc2ccco2)cc1 ZINC000035121604 355834862 /nfs/dbraw/zinc/83/48/62/355834862.db2.gz KVRKOVNNVGMLGC-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN CC[C@@H]1C[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000387935386 369398986 /nfs/dbraw/zinc/39/89/86/369398986.db2.gz ZOIXGPWRSXDCOR-PWSUYJOCSA-N 0 3 234.299 2.731 20 5 BFBDHN CC(C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774252 371232568 /nfs/dbraw/zinc/23/25/68/371232568.db2.gz AGYYKMSLNGADOO-UHFFFAOYSA-N 0 3 240.278 2.822 20 5 BFBDHN CC(C)(C)CNCc1ccccc1[N+](=O)[O-] ZINC000040492694 373323974 /nfs/dbraw/zinc/32/39/74/373323974.db2.gz UCPSFSARWQGDME-UHFFFAOYSA-N 0 3 222.288 2.731 20 5 BFBDHN O=[N+]([O-])c1ccc(CN(CC2CC2)C2CC2)cc1 ZINC000076348710 182928656 /nfs/dbraw/zinc/92/86/56/182928656.db2.gz VATHYPUMNFJAET-UHFFFAOYSA-N 0 3 246.310 2.969 20 5 BFBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000310259329 384083506 /nfs/dbraw/zinc/08/35/06/384083506.db2.gz HJFFDVHDJSKKGR-MRVPVSSYSA-N 0 3 238.262 2.622 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CC2CCC1CC2 ZINC000362343291 384197204 /nfs/dbraw/zinc/19/72/04/384197204.db2.gz TZTVZNVBFCXCIP-UHFFFAOYSA-N 0 3 246.310 2.969 20 5 BFBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000075841306 384342182 /nfs/dbraw/zinc/34/21/82/384342182.db2.gz ZSWCKPPVCVXGMM-UHFFFAOYSA-N 0 3 220.272 2.579 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@H]2CC[C@H](F)C2)cs1 ZINC000309489100 384533865 /nfs/dbraw/zinc/53/38/65/384533865.db2.gz HTAYSZABSTZUCI-IUCAKERBSA-N 0 3 244.291 2.637 20 5 BFBDHN CC[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000310361921 384954834 /nfs/dbraw/zinc/95/48/34/384954834.db2.gz TXUYPBRHWGOCEW-SECBINFHSA-N 0 3 240.278 2.870 20 5 BFBDHN CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551773 385139057 /nfs/dbraw/zinc/13/90/57/385139057.db2.gz VFRQTGNSYAAAKM-LBPRGKRZSA-N 0 3 234.299 2.794 20 5 BFBDHN Cc1ccc(CNC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000540612633 385179376 /nfs/dbraw/zinc/17/93/76/385179376.db2.gz LXDBAUMKOCTTJN-UHFFFAOYSA-N 0 3 246.310 2.935 20 5 BFBDHN C[C@@H](NCC[C@H](C)F)c1ccccc1[N+](=O)[O-] ZINC000340462824 385228416 /nfs/dbraw/zinc/22/84/16/385228416.db2.gz PYKQWXXXOOFUJX-VHSXEESVSA-N 0 3 240.278 2.994 20 5 BFBDHN C[C@H](N[C@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294957889 386760612 /nfs/dbraw/zinc/76/06/12/386760612.db2.gz YVTFAPQXMAMHDT-UFBFGSQYSA-N 0 3 249.314 2.626 20 5 BFBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC1)CCC2 ZINC000192590017 387204960 /nfs/dbraw/zinc/20/49/60/387204960.db2.gz LQDWJCVIFCLUAD-CYBMUJFWSA-N 0 3 232.283 2.724 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000152625165 387341436 /nfs/dbraw/zinc/34/14/36/387341436.db2.gz PNUAWPYJJGIXCA-BETUJISGSA-N 0 3 246.310 2.827 20 5 BFBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255306558 388677239 /nfs/dbraw/zinc/67/72/39/388677239.db2.gz MZYQIXHUEADMCS-XQRVVYSFSA-N 0 3 232.283 2.702 20 5 BFBDHN CC1(F)CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000449371201 388748596 /nfs/dbraw/zinc/74/85/96/388748596.db2.gz RIZULJMPOYEILF-UHFFFAOYSA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CC12CC2 ZINC000424181555 388694648 /nfs/dbraw/zinc/69/46/48/388694648.db2.gz CGCDOYMRIKKTDC-HSBHDXMMSA-N 0 3 244.294 2.750 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426455014 388710745 /nfs/dbraw/zinc/71/07/45/388710745.db2.gz SAVZFWBSWSVFEP-YPMHNXCESA-N 0 3 246.310 2.969 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](C2CC2)C1 ZINC000378311689 388726864 /nfs/dbraw/zinc/72/68/64/388726864.db2.gz DRUYUDHBYJHMKD-LBPRGKRZSA-N 0 3 246.310 2.827 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2CCC3(CCC3)C2)cc1 ZINC000123449056 388732071 /nfs/dbraw/zinc/73/20/71/388732071.db2.gz ACRJEVNHZVPMMQ-UHFFFAOYSA-N 0 3 246.310 2.971 20 5 BFBDHN CC[C@@H](C)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153382297 388967534 /nfs/dbraw/zinc/96/75/34/388967534.db2.gz SQSSCEYJSPIITO-LLVKDONJSA-N 0 3 248.326 2.999 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@@H](F)C1 ZINC000342279266 135255793 /nfs/dbraw/zinc/25/57/93/135255793.db2.gz DFKPYDOBDFKFKE-MNOVXSKESA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@H]2CC[C@@H](F)C2)c1 ZINC000342290409 135256678 /nfs/dbraw/zinc/25/66/78/135256678.db2.gz CXOQPURIMNTTFP-MNOVXSKESA-N 0 3 238.262 2.575 20 5 BFBDHN CCC1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000342694934 135306157 /nfs/dbraw/zinc/30/61/57/135306157.db2.gz GHWUCKBKZFATAQ-UHFFFAOYSA-N 0 3 234.299 2.873 20 5 BFBDHN CC(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963022 167119902 /nfs/dbraw/zinc/11/99/02/167119902.db2.gz CAORYZDSNXOPBU-UHFFFAOYSA-N 0 3 228.679 2.746 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CCC3(CCC3)C2)c1 ZINC000123006408 411509023 /nfs/dbraw/zinc/50/90/23/411509023.db2.gz AOXANDZGEJQCPZ-UHFFFAOYSA-N 0 3 246.310 2.971 20 5 BFBDHN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000177904031 176176245 /nfs/dbraw/zinc/17/62/45/176176245.db2.gz LFWSDDRKJXRVCB-GHMZBOCLSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@@H]1CC[C@@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000123061353 176199744 /nfs/dbraw/zinc/19/97/44/176199744.db2.gz GPNXUPSVVXIUEY-GHMZBOCLSA-N 0 3 234.299 2.968 20 5 BFBDHN C[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000128541406 176233520 /nfs/dbraw/zinc/23/35/20/176233520.db2.gz XITYWGMSHKKJLL-SCZZXKLOSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000310553168 176378298 /nfs/dbraw/zinc/37/82/98/176378298.db2.gz XEDUXECRLFODIN-CKYFFXLPSA-N 0 3 234.299 2.729 20 5 BFBDHN C[C@H]1CCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000070827914 177143104 /nfs/dbraw/zinc/14/31/04/177143104.db2.gz JUAAPYNUZLTWCL-WCBMZHEXSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@H]1CC[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000123275589 177200108 /nfs/dbraw/zinc/20/01/08/177200108.db2.gz XZBXISMYOGXITK-QWRGUYRKSA-N 0 3 234.299 2.968 20 5 BFBDHN CCCCC[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115545 582592258 /nfs/dbraw/zinc/59/22/58/582592258.db2.gz UUJXLRLFLZOFEJ-QWRGUYRKSA-N 0 3 245.319 2.801 20 5 BFBDHN CCC[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835454257 584926010 /nfs/dbraw/zinc/92/60/10/584926010.db2.gz IOJYMAINRZSWBE-MNOVXSKESA-N 0 3 245.319 2.657 20 5 BFBDHN CC(COC(=O)CCC1CCCCC1)[N+](=O)[O-] ZINC000813102386 586591899 /nfs/dbraw/zinc/59/18/99/586591899.db2.gz QUAOSUNKSKHYDH-SNVBAGLBSA-N 0 3 243.303 2.555 20 5 BFBDHN CC(COC(=O)C[C@@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813107741 586592937 /nfs/dbraw/zinc/59/29/37/586592937.db2.gz VLWJKXOXWOAETJ-ZJUUUORDSA-N 0 3 245.319 2.657 20 5 BFBDHN CCCCCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109491 586593365 /nfs/dbraw/zinc/59/33/65/586593365.db2.gz UKYWVEPFXGVBRC-SNVBAGLBSA-N 0 3 245.319 2.801 20 5 BFBDHN CCCCC[C@@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112253 586593407 /nfs/dbraw/zinc/59/34/07/586593407.db2.gz DRPFVUOFLXBEMR-WDEREUQCSA-N 0 3 245.319 2.801 20 5 BFBDHN CC(C)CCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115793 586594348 /nfs/dbraw/zinc/59/43/48/586594348.db2.gz ZRGPLHSKHVWVTI-NSHDSACASA-N 0 3 245.319 2.801 20 5 BFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C1CC1 ZINC000876580107 590218736 /nfs/dbraw/zinc/21/87/36/590218736.db2.gz FZLLZSCUAZGZDM-UHFFFAOYSA-N 0 3 234.299 2.806 20 5 BFBDHN Cc1c(CN2CC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000877562628 590359752 /nfs/dbraw/zinc/35/97/52/590359752.db2.gz YCKGKUGOUFQXLJ-AWEZNQCLSA-N 0 3 246.310 2.888 20 5 BFBDHN C[C@@H](NCc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000886129796 592159848 /nfs/dbraw/zinc/15/98/48/592159848.db2.gz OGPUYESYUMPEBX-SNVBAGLBSA-N 0 3 249.314 2.658 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@@H]2C1 ZINC000886327399 592209531 /nfs/dbraw/zinc/20/95/31/592209531.db2.gz IJHHIRIHNDICNJ-JLLWLGSASA-N 0 3 232.283 2.608 20 5 BFBDHN Cc1cccc([C@H](NCC[N+](=O)[O-])C(C)C)c1 ZINC000931257606 640118039 /nfs/dbraw/zinc/11/80/39/640118039.db2.gz SBWZZYPZQVBLJP-CYBMUJFWSA-N 0 3 236.315 2.558 20 5 BFBDHN C[C@H](NCC[N+](=O)[O-])c1cccc2ccccc21 ZINC000930183515 645886953 /nfs/dbraw/zinc/88/69/53/645886953.db2.gz PVEGBBLBRZXZPX-NSHDSACASA-N 0 3 244.294 2.767 20 5 BFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]1C ZINC001254552031 969735876 /nfs/dbraw/zinc/73/58/76/969735876.db2.gz IFRLWNJYDGZTLT-GHMZBOCLSA-N 0 3 234.299 2.620 20 5 BFBDHN CN(C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219927 977944770 /nfs/dbraw/zinc/94/47/70/977944770.db2.gz XQGMRRITDXGWRK-UHFFFAOYSA-N 0 3 237.306 2.845 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCCC1 ZINC000183399274 178271029 /nfs/dbraw/zinc/27/10/29/178271029.db2.gz FMJIXHWZZYKJKA-UHFFFAOYSA-N 0 3 234.299 2.889 20 5 BFBDHN CC(C)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000020306209 187254072 /nfs/dbraw/zinc/25/40/72/187254072.db2.gz SSIMAWTUFZFUAY-JTQLQIEISA-N 0 3 222.288 2.729 20 5 BFBDHN CCN(Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000070011968 343946371 /nfs/dbraw/zinc/94/63/71/343946371.db2.gz COZZYECUMRPYNE-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580693 343972495 /nfs/dbraw/zinc/97/24/95/343972495.db2.gz MBFPBXRGNJNLIS-UHFFFAOYSA-N 0 3 249.270 2.624 20 5 BFBDHN Cc1ccc(CN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000092471341 344296756 /nfs/dbraw/zinc/29/67/56/344296756.db2.gz REGHANLTBKOOCG-JTQLQIEISA-N 0 3 234.299 2.745 20 5 BFBDHN C[C@H](NC[C@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000135457592 344408897 /nfs/dbraw/zinc/40/88/97/344408897.db2.gz KJIXIRPILBEPEG-OUAUKWLOSA-N 0 3 234.299 2.901 20 5 BFBDHN CC[C@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000054468875 348022819 /nfs/dbraw/zinc/02/28/19/348022819.db2.gz UNGCSSWFOOGIDN-QMMMGPOBSA-N 0 3 228.317 2.792 20 5 BFBDHN CC1(C)C[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510208 348060993 /nfs/dbraw/zinc/06/09/93/348060993.db2.gz AZJFCKQTVQOBJB-DGCLKSJQSA-N 0 3 246.310 2.970 20 5 BFBDHN CC1(C)C[C@]1(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000594996367 348168671 /nfs/dbraw/zinc/16/86/71/348168671.db2.gz MUYJBITUTDICHG-ZDUSSCGKSA-N 0 3 234.299 2.873 20 5 BFBDHN CC(C)CN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595297043 348215821 /nfs/dbraw/zinc/21/58/21/348215821.db2.gz PDOMNXYHQJVJBX-UHFFFAOYSA-N 0 3 240.278 2.822 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595561643 348281107 /nfs/dbraw/zinc/28/11/07/348281107.db2.gz KMTPLBGPSHEIFO-JSGCOSHPSA-N 0 3 246.310 2.969 20 5 BFBDHN C/C=C\CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599080638 349096214 /nfs/dbraw/zinc/09/62/14/349096214.db2.gz ICKLAKYJKJQRAR-ZZKXABKFSA-N 0 3 232.283 2.748 20 5 BFBDHN CC(C)=CCNCc1ccc([N+](=O)[O-])cc1 ZINC000191626943 188350477 /nfs/dbraw/zinc/35/04/77/188350477.db2.gz JFVHLICQDSBNPF-UHFFFAOYSA-N 0 3 220.272 2.651 20 5 BFBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000050015563 358710880 /nfs/dbraw/zinc/71/08/80/358710880.db2.gz BPRRBKVFXINLPI-SNVBAGLBSA-N 0 3 234.299 2.873 20 5 BFBDHN CC(C)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037472345 364053588 /nfs/dbraw/zinc/05/35/88/364053588.db2.gz BPYFBHREVVAGIQ-QMMMGPOBSA-N 0 3 228.317 2.790 20 5 BFBDHN CCC[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037472319 364055828 /nfs/dbraw/zinc/05/58/28/364055828.db2.gz UZXLSONMZJTMKL-MRVPVSSYSA-N 0 3 228.317 2.935 20 5 BFBDHN CC1(C)CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000284314754 371524456 /nfs/dbraw/zinc/52/44/56/371524456.db2.gz LMDYKPPHYXXXSA-LBPRGKRZSA-N 0 3 234.299 2.873 20 5 BFBDHN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000133302863 372018586 /nfs/dbraw/zinc/01/85/86/372018586.db2.gz GNBUAFUZCINGBP-UHFFFAOYSA-N 0 3 234.299 2.888 20 5 BFBDHN C[C@H](CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000134229783 372184226 /nfs/dbraw/zinc/18/42/26/372184226.db2.gz IDHAEPXSYXNOHP-SNVBAGLBSA-N 0 3 234.299 2.731 20 5 BFBDHN CCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525878 169277282 /nfs/dbraw/zinc/27/72/82/169277282.db2.gz IKAOZTKDOAJHJV-VIFPVBQESA-N 0 3 208.261 2.655 20 5 BFBDHN Cc1c(CN2C[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000362434190 384215083 /nfs/dbraw/zinc/21/50/83/384215083.db2.gz LWWLIPJVGGRHLY-QWRGUYRKSA-N 0 3 248.326 2.991 20 5 BFBDHN CCCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072583653 384227104 /nfs/dbraw/zinc/22/71/04/384227104.db2.gz UFFAYVFNJACYKY-JTQLQIEISA-N 0 3 222.288 2.998 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1C1CC1 ZINC000363385441 384470968 /nfs/dbraw/zinc/47/09/68/384470968.db2.gz ZBDLCXGYOILBSX-CYBMUJFWSA-N 0 3 246.310 2.969 20 5 BFBDHN CC1(C)CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000395190209 384518519 /nfs/dbraw/zinc/51/85/19/384518519.db2.gz WUPLMYXLCGBIHE-UHFFFAOYSA-N 0 3 234.299 2.873 20 5 BFBDHN C[C@@H](NCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000020525922 384788553 /nfs/dbraw/zinc/78/85/53/384788553.db2.gz VGZWGTVYVCNESP-SECBINFHSA-N 0 3 220.272 2.655 20 5 BFBDHN CC[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000125072617 384884447 /nfs/dbraw/zinc/88/44/47/384884447.db2.gz FIYQZXFTZDNDBL-NSHDSACASA-N 0 3 234.299 2.827 20 5 BFBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000053435577 387020127 /nfs/dbraw/zinc/02/01/27/387020127.db2.gz LNJOMUYRKDTUJN-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000153022308 388395477 /nfs/dbraw/zinc/39/54/77/388395477.db2.gz FZFCAXAQFJBPBS-RYUDHWBXSA-N 0 3 246.310 2.827 20 5 BFBDHN CN(CCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000173257757 388416954 /nfs/dbraw/zinc/41/69/54/388416954.db2.gz KDTGINGTIJRIRB-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN CC/C=C\CNCc1ccc([N+](=O)[O-])cc1C ZINC000449455440 388750074 /nfs/dbraw/zinc/75/00/74/388750074.db2.gz LLSQYAAUNDEJER-PLNGDYQASA-N 0 3 234.299 2.959 20 5 BFBDHN Cc1ccc(CN[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424182716 388694633 /nfs/dbraw/zinc/69/46/33/388694633.db2.gz HGFVAQQPVYZOFQ-LBPRGKRZSA-N 0 3 232.283 2.545 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2CC3CCC2CC3)cc1 ZINC000371386694 388697063 /nfs/dbraw/zinc/69/70/63/388697063.db2.gz CYJXHNJKFWAFTE-UHFFFAOYSA-N 0 3 246.310 2.969 20 5 BFBDHN CC1=C[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000430272037 388727429 /nfs/dbraw/zinc/72/74/29/388727429.db2.gz ZKJJWGZVIFVSGR-NSHDSACASA-N 0 3 246.310 2.993 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC[C@H](F)C2)cc1 ZINC000342311255 135259045 /nfs/dbraw/zinc/25/90/45/135259045.db2.gz VXHMRNYTEIWUAJ-QWRGUYRKSA-N 0 3 238.262 2.575 20 5 BFBDHN CC(C)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368059 167008483 /nfs/dbraw/zinc/00/84/83/167008483.db2.gz MHAVYTPPKIBSKE-UHFFFAOYSA-N 0 3 242.706 2.994 20 5 BFBDHN CC(C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525907 167138542 /nfs/dbraw/zinc/13/85/42/167138542.db2.gz QQPJJOXGVNMMNK-SECBINFHSA-N 0 3 208.261 2.654 20 5 BFBDHN CC(C)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000020306208 167384346 /nfs/dbraw/zinc/38/43/46/167384346.db2.gz SSIMAWTUFZFUAY-SNVBAGLBSA-N 0 3 222.288 2.729 20 5 BFBDHN CC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000013449632 168184252 /nfs/dbraw/zinc/18/42/52/168184252.db2.gz ZUBDLZIJXZLHIZ-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000049531851 170126605 /nfs/dbraw/zinc/12/66/05/170126605.db2.gz GGCFIZYUMOIYIY-UHFFFAOYSA-N 0 3 246.266 2.964 20 5 BFBDHN CC[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000125072389 171011429 /nfs/dbraw/zinc/01/14/29/171011429.db2.gz FIYQZXFTZDNDBL-LLVKDONJSA-N 0 3 234.299 2.827 20 5 BFBDHN CC[C@@H]1CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000292320532 171022873 /nfs/dbraw/zinc/02/28/73/171022873.db2.gz FHJSGBUMRACIKQ-GFCCVEGCSA-N 0 3 234.299 2.622 20 5 BFBDHN C[C@@H]1CCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000070827911 176150676 /nfs/dbraw/zinc/15/06/76/176150676.db2.gz JUAAPYNUZLTWCL-PSASIEDQSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@@H]1CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000309051165 176236879 /nfs/dbraw/zinc/23/68/79/176236879.db2.gz PVWHUTYMSIMKNL-VXNVDRBHSA-N 0 3 226.301 2.544 20 5 BFBDHN C[C@@H]1[C@@H](C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000177904042 177165660 /nfs/dbraw/zinc/16/56/60/177165660.db2.gz LFWSDDRKJXRVCB-WDEREUQCSA-N 0 3 234.299 2.825 20 5 BFBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCF ZINC000126970441 324735739 /nfs/dbraw/zinc/73/57/39/324735739.db2.gz NEVDZYBALFXNFF-SNVBAGLBSA-N 0 3 240.278 2.913 20 5 BFBDHN CC(C)(C)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC000791051449 583383873 /nfs/dbraw/zinc/38/38/73/583383873.db2.gz DJMBICVVYAEGKS-UHFFFAOYSA-N 0 3 236.315 2.564 20 5 BFBDHN CC(C)(C)[C@H](NCC[N+](=O)[O-])c1ccccc1 ZINC000791052536 583384634 /nfs/dbraw/zinc/38/46/34/583384634.db2.gz OZNPPCJGWZDACP-GFCCVEGCSA-N 0 3 236.315 2.640 20 5 BFBDHN Cc1c(CN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000751559155 585232325 /nfs/dbraw/zinc/23/23/25/585232325.db2.gz PWMMNRHAUPEZCA-UHFFFAOYSA-N 0 3 222.288 2.743 20 5 BFBDHN CC(COC(=O)CCCC1CCCC1)[N+](=O)[O-] ZINC000813104509 586592290 /nfs/dbraw/zinc/59/22/90/586592290.db2.gz NMRZXRPVFJCFHG-SNVBAGLBSA-N 0 3 243.303 2.555 20 5 BFBDHN CC(COC(=O)CCCCC(C)(C)C)[N+](=O)[O-] ZINC000813104176 586592598 /nfs/dbraw/zinc/59/25/98/586592598.db2.gz XLJFZHBITDXYCV-SNVBAGLBSA-N 0 3 245.319 2.801 20 5 BFBDHN CC(COC(=O)[C@H](C)CCC(C)(C)C)[N+](=O)[O-] ZINC000813105772 586592646 /nfs/dbraw/zinc/59/26/46/586592646.db2.gz UJGGNBUKTZYAGZ-ZJUUUORDSA-N 0 3 245.319 2.657 20 5 BFBDHN CC(COC(=O)[C@@H](C)CCC(C)(C)C)[N+](=O)[O-] ZINC000813105771 586592745 /nfs/dbraw/zinc/59/27/45/586592745.db2.gz UJGGNBUKTZYAGZ-VHSXEESVSA-N 0 3 245.319 2.657 20 5 BFBDHN CC[C@H](C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107212 586592796 /nfs/dbraw/zinc/59/27/96/586592796.db2.gz MPSVYBDAGKLCLC-QWRGUYRKSA-N 0 3 245.319 2.801 20 5 BFBDHN CCCCCC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110115 586593177 /nfs/dbraw/zinc/59/31/77/586593177.db2.gz ZPFYWFONWDZTLS-QWRGUYRKSA-N 0 3 245.319 2.801 20 5 BFBDHN CCCCC[C@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112250 586593595 /nfs/dbraw/zinc/59/35/95/586593595.db2.gz DRPFVUOFLXBEMR-MNOVXSKESA-N 0 3 245.319 2.801 20 5 BFBDHN CC(COC(=O)CC1(C)CCCCC1)[N+](=O)[O-] ZINC000813114025 586594022 /nfs/dbraw/zinc/59/40/22/586594022.db2.gz XVBVHVAEHCELER-SNVBAGLBSA-N 0 3 243.303 2.555 20 5 BFBDHN C[C@@H](N[C@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850507493 588553453 /nfs/dbraw/zinc/55/34/53/588553453.db2.gz FOLHKOYXBMLECQ-KOLCDFICSA-N 0 3 247.298 2.546 20 5 BFBDHN C[C@@H](NC[C@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000877827701 590429333 /nfs/dbraw/zinc/42/93/33/590429333.db2.gz KJIXIRPILBEPEG-GMTAPVOTSA-N 0 3 234.299 2.901 20 5 BFBDHN CC[C@@H]1[C@@H](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886143302 592162721 /nfs/dbraw/zinc/16/27/21/592162721.db2.gz ZDHBUNQPVFCLFP-CMPLNLGQSA-N 0 3 249.314 2.610 20 5 BFBDHN CC[C@H]1[C@H](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886143304 592162929 /nfs/dbraw/zinc/16/29/29/592162929.db2.gz ZDHBUNQPVFCLFP-PWSUYJOCSA-N 0 3 249.314 2.610 20 5 BFBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000886333012 592210956 /nfs/dbraw/zinc/21/09/56/592210956.db2.gz BNHQRIDCXQDEPP-GARJFASQSA-N 0 3 232.283 2.608 20 5 BFBDHN C[C@@H]1CC[C@@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930456923 639759003 /nfs/dbraw/zinc/75/90/03/639759003.db2.gz JVEXYZDRYOWRLG-OCCSQVGLSA-N 0 3 248.326 2.736 20 5 BFBDHN CC1(C)C[C@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930763329 639904015 /nfs/dbraw/zinc/90/40/15/639904015.db2.gz NEVCHKUBDREGIS-CYBMUJFWSA-N 0 3 248.326 2.736 20 5 BFBDHN C=C/C=C\CCNCc1csc([N+](=O)[O-])c1 ZINC000713495616 712462468 /nfs/dbraw/zinc/46/24/68/712462468.db2.gz KRPMEQZMTLWIQZ-ARJAWSKDSA-N 0 3 238.312 2.878 20 5 BFBDHN C[C@H](N[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000698324476 968225034 /nfs/dbraw/zinc/22/50/34/968225034.db2.gz AFXGESJIFNVURE-JQWIXIFHSA-N 0 3 232.283 2.964 20 5 BFBDHN Cc1ccc(Nc2ccncc2C)c([N+](=O)[O-])c1 ZINC001214165519 970443063 /nfs/dbraw/zinc/44/30/63/970443063.db2.gz WEWCORQZKZXCAY-UHFFFAOYSA-N 0 3 243.266 2.772 20 5 BFBDHN CC(C)C[C@H](NCC[N+](=O)[O-])c1ccccc1 ZINC001119692829 989342069 /nfs/dbraw/zinc/34/20/69/989342069.db2.gz PDIDZKKAFOXKFW-ZDUSSCGKSA-N 0 3 236.315 2.640 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@H]2C=CCCC2)c1 ZINC000151160045 398208861 /nfs/dbraw/zinc/20/88/61/398208861.db2.gz AGUPZDZDYOEAMF-LBPRGKRZSA-N 0 3 232.283 2.793 20 5 BFBDHN Cc1c([C@H](C)NCCCF)cccc1[N+](=O)[O-] ZINC000126851580 342737658 /nfs/dbraw/zinc/73/76/58/342737658.db2.gz SGBLWJGPBCCHAI-JTQLQIEISA-N 0 3 240.278 2.913 20 5 BFBDHN CCC1(NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000294834623 398309451 /nfs/dbraw/zinc/30/94/51/398309451.db2.gz QHPPPFCRLYGHGE-UHFFFAOYSA-N 0 3 234.299 2.935 20 5 BFBDHN CCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000126258465 398318446 /nfs/dbraw/zinc/31/84/46/398318446.db2.gz XGVTXEPBMVSOGI-SOFGYWHQSA-N 0 3 220.272 2.560 20 5 BFBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489415648 398311988 /nfs/dbraw/zinc/31/19/88/398311988.db2.gz STRIBZDYCUPXSJ-LBPRGKRZSA-N 0 3 234.299 2.825 20 5 BFBDHN CC[C@@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000050015558 398332285 /nfs/dbraw/zinc/33/22/85/398332285.db2.gz AYYFEDFHLVBAHQ-SNVBAGLBSA-N 0 3 222.288 2.731 20 5 BFBDHN CC1(C)CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000284251742 187241354 /nfs/dbraw/zinc/24/13/54/187241354.db2.gz IMFORMMGXZJFSR-GFCCVEGCSA-N 0 3 234.299 2.873 20 5 BFBDHN CC1(C)C[C@]1(C)NCc1cccc([N+](=O)[O-])c1 ZINC000594995937 348167974 /nfs/dbraw/zinc/16/79/74/348167974.db2.gz MDYZBDBYCJQKGG-ZDUSSCGKSA-N 0 3 234.299 2.873 20 5 BFBDHN CCCN(CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595296316 348215968 /nfs/dbraw/zinc/21/59/68/348215968.db2.gz AFCOASSVDXUZMQ-UHFFFAOYSA-N 0 3 240.278 2.966 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000595810491 348349845 /nfs/dbraw/zinc/34/98/45/348349845.db2.gz YDYJVGVZCGVTNY-IJLUTSLNSA-N 0 3 246.310 2.998 20 5 BFBDHN C/C=C\CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599080631 349096169 /nfs/dbraw/zinc/09/61/69/349096169.db2.gz ICKLAKYJKJQRAR-DLGQBQFBSA-N 0 3 232.283 2.748 20 5 BFBDHN CC[C@H](NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000324191414 350289574 /nfs/dbraw/zinc/28/95/74/350289574.db2.gz RGFLHLJFDASWEL-JTQLQIEISA-N 0 3 240.328 2.935 20 5 BFBDHN CC(C)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637818 351062898 /nfs/dbraw/zinc/06/28/98/351062898.db2.gz RDBUYSVPZYGWCA-UHFFFAOYSA-N 0 3 222.288 2.683 20 5 BFBDHN C[C@@H](NCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000127006036 324609331 /nfs/dbraw/zinc/60/93/31/324609331.db2.gz ZHOQXZQLCIQAQJ-SECBINFHSA-N 0 3 226.251 2.605 20 5 BFBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC2CC2)c1 ZINC000035368062 357196039 /nfs/dbraw/zinc/19/60/39/357196039.db2.gz GBFKRPPZQWKTLL-UHFFFAOYSA-N 0 3 240.690 2.748 20 5 BFBDHN CC1(C)C[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582615684 357353627 /nfs/dbraw/zinc/35/36/27/357353627.db2.gz AZJFCKQTVQOBJB-YPMHNXCESA-N 0 3 246.310 2.970 20 5 BFBDHN CC[C@H](NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000036721042 361388838 /nfs/dbraw/zinc/38/88/38/361388838.db2.gz LRSTUCOYOLDCJB-LBPRGKRZSA-N 0 3 220.272 2.798 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC1(C)C ZINC000349931445 370709778 /nfs/dbraw/zinc/70/97/78/370709778.db2.gz HRVWNKLFLOKRTF-GFCCVEGCSA-N 0 3 234.299 2.791 20 5 BFBDHN C/C=C/CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000309794787 370262150 /nfs/dbraw/zinc/26/21/50/370262150.db2.gz PXFFDCKIIYZHNA-HMDXOVGESA-N 0 3 220.272 2.822 20 5 BFBDHN CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292185595 169254070 /nfs/dbraw/zinc/25/40/70/169254070.db2.gz QWXMRQIIPWMQGO-UHFFFAOYSA-N 0 3 222.288 2.830 20 5 BFBDHN CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829123 169265227 /nfs/dbraw/zinc/26/52/27/169265227.db2.gz WJFWTOLUYGDKBJ-UHFFFAOYSA-N 0 3 228.679 2.748 20 5 BFBDHN CC1(C)C[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000226254810 134361853 /nfs/dbraw/zinc/36/18/53/134361853.db2.gz CMUKTDODMTZSRS-VIFPVBQESA-N 0 3 240.328 2.792 20 5 BFBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000310259330 384081981 /nfs/dbraw/zinc/08/19/81/384081981.db2.gz HJFFDVHDJSKKGR-QMMMGPOBSA-N 0 3 238.262 2.622 20 5 BFBDHN C[C@H](NCCCF)c1ccccc1[N+](=O)[O-] ZINC000127009935 384240506 /nfs/dbraw/zinc/24/05/06/384240506.db2.gz HFQIIVMOUAPYOC-VIFPVBQESA-N 0 3 226.251 2.605 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2C3CCC2CC3)cc1 ZINC000515122262 384669322 /nfs/dbraw/zinc/66/93/22/384669322.db2.gz GWOKPAYZHABQPA-UHFFFAOYSA-N 0 3 232.283 2.722 20 5 BFBDHN CCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000179393865 384879136 /nfs/dbraw/zinc/87/91/36/384879136.db2.gz NGUOFGMQVDZFRM-VIFPVBQESA-N 0 3 238.287 2.664 20 5 BFBDHN CCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000226784122 384882147 /nfs/dbraw/zinc/88/21/47/384882147.db2.gz GZXSBISOTSDNBJ-UHFFFAOYSA-N 0 3 234.299 2.875 20 5 BFBDHN Cc1c(CN2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000263772596 385138692 /nfs/dbraw/zinc/13/86/92/385138692.db2.gz WTNVFOSIKDNBKY-SNVBAGLBSA-N 0 3 234.299 2.745 20 5 BFBDHN CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551772 385140832 /nfs/dbraw/zinc/14/08/32/385140832.db2.gz VFRQTGNSYAAAKM-GFCCVEGCSA-N 0 3 234.299 2.794 20 5 BFBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000322008237 385910504 /nfs/dbraw/zinc/91/05/04/385910504.db2.gz IDTVLUZHKVZFPC-CKYFFXLPSA-N 0 3 234.299 2.729 20 5 BFBDHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294957887 386759965 /nfs/dbraw/zinc/75/99/65/386759965.db2.gz YVTFAPQXMAMHDT-QPUJVOFHSA-N 0 3 249.314 2.626 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000152625358 387343674 /nfs/dbraw/zinc/34/36/74/387343674.db2.gz PNUAWPYJJGIXCA-STQMWFEESA-N 0 3 246.310 2.827 20 5 BFBDHN O=[N+]([O-])c1ccc2c(c1)CN(CC1CCC1)CC2 ZINC000088605792 387479958 /nfs/dbraw/zinc/47/99/58/387479958.db2.gz KIYRAHUVAQTTFM-UHFFFAOYSA-N 0 3 246.310 2.753 20 5 BFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(C)C1 ZINC000549808563 388405326 /nfs/dbraw/zinc/40/53/26/388405326.db2.gz REGYLPAYQZEHKP-WDZFZDKYSA-N 0 3 246.310 2.950 20 5 BFBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078339523 388680984 /nfs/dbraw/zinc/68/09/84/388680984.db2.gz YEPTYRHYNDJXBS-UHFFFAOYSA-N 0 3 234.299 2.968 20 5 BFBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000153758762 388630703 /nfs/dbraw/zinc/63/07/03/388630703.db2.gz MZYQIXHUEADMCS-GQCTYLIASA-N 0 3 232.283 2.702 20 5 BFBDHN CC1(F)CC(NCc2cccc([N+](=O)[O-])c2)C1 ZINC000449369481 388748016 /nfs/dbraw/zinc/74/80/16/388748016.db2.gz CPVGDIGBOVTCQI-UHFFFAOYSA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CC12CC2 ZINC000424181557 388694705 /nfs/dbraw/zinc/69/47/05/388694705.db2.gz CGCDOYMRIKKTDC-MASHWEEQSA-N 0 3 244.294 2.750 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1[C@@H](C)C[C@@H]1C ZINC000527238708 388696806 /nfs/dbraw/zinc/69/68/06/388696806.db2.gz QBQDUENFBVTBCF-QWRGUYRKSA-N 0 3 234.299 2.886 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](C3CC3)C2)c1 ZINC000371309747 388697311 /nfs/dbraw/zinc/69/73/11/388697311.db2.gz ZOFXJTRERMMIQC-ZDUSSCGKSA-N 0 3 246.310 2.827 20 5 BFBDHN CC1=C[C@@H](C)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000430272036 388726989 /nfs/dbraw/zinc/72/69/89/388726989.db2.gz ZKJJWGZVIFVSGR-LLVKDONJSA-N 0 3 246.310 2.993 20 5 BFBDHN CC1(C)C[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000226256841 134362608 /nfs/dbraw/zinc/36/26/08/134362608.db2.gz SREXRXRXYNLSKQ-LLVKDONJSA-N 0 3 234.299 2.731 20 5 BFBDHN O=[N+]([O-])c1ccc(CCN2CCC23CCC3)cc1 ZINC000348314742 136067876 /nfs/dbraw/zinc/06/78/76/136067876.db2.gz ADMLJFJPVALJDM-UHFFFAOYSA-N 0 3 246.310 2.766 20 5 BFBDHN CC(C)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829125 167007438 /nfs/dbraw/zinc/00/74/38/167007438.db2.gz RQRCTSKFLGBSEB-UHFFFAOYSA-N 0 3 242.706 2.994 20 5 BFBDHN CC(C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050442968 167118520 /nfs/dbraw/zinc/11/85/20/167118520.db2.gz ZCALAWPWKCXVSJ-UHFFFAOYSA-N 0 3 228.679 2.746 20 5 BFBDHN Cc1ccc(CNC2CCC2)cc1[N+](=O)[O-] ZINC000052208161 411400181 /nfs/dbraw/zinc/40/01/81/411400181.db2.gz AWXBCYHRNVSRTB-UHFFFAOYSA-N 0 3 220.272 2.545 20 5 BFBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000266557183 176026651 /nfs/dbraw/zinc/02/66/51/176026651.db2.gz WIUNJWBNEDWYDH-JTQLQIEISA-N 0 3 220.272 2.752 20 5 BFBDHN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000177900990 176176479 /nfs/dbraw/zinc/17/64/79/176176479.db2.gz SQMKDMDRSGMRQA-GHMZBOCLSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@@H]1[C@@H](C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000177901003 177164802 /nfs/dbraw/zinc/16/48/02/177164802.db2.gz SQMKDMDRSGMRQA-WDEREUQCSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@H]1CC[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000123328349 177200352 /nfs/dbraw/zinc/20/03/52/177200352.db2.gz DKLPPWVMCWWYRK-QWRGUYRKSA-N 0 3 234.299 2.968 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CCN(CCC1CC1)C2 ZINC000536000637 323195128 /nfs/dbraw/zinc/19/51/28/323195128.db2.gz FJPLTWYHCQREBR-UHFFFAOYSA-N 0 3 246.310 2.753 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC12CC2 ZINC000564469287 325793783 /nfs/dbraw/zinc/79/37/83/325793783.db2.gz BNTBYCLFYJPIQN-WCQYABFASA-N 0 3 244.294 2.724 20 5 BFBDHN C[C@@H]1C[C@@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000488348393 533714005 /nfs/dbraw/zinc/71/40/05/533714005.db2.gz MJNKDAGULOQOLX-ZYHUDNBSSA-N 0 3 234.299 2.683 20 5 BFBDHN CCCCC[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115543 582592474 /nfs/dbraw/zinc/59/24/74/582592474.db2.gz UUJXLRLFLZOFEJ-GHMZBOCLSA-N 0 3 245.319 2.801 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H]21 ZINC000761088391 585407671 /nfs/dbraw/zinc/40/76/71/585407671.db2.gz GKLITSRXRNRGRC-XWIASGKRSA-N 0 3 232.283 2.750 20 5 BFBDHN C[C@H](C1CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000782181632 585810439 /nfs/dbraw/zinc/81/04/39/585810439.db2.gz DECKBQMFZUJUIV-SNVBAGLBSA-N 0 3 246.310 2.751 20 5 BFBDHN Cc1ccccc1[C@@H](NCC[N+](=O)[O-])C(C)C ZINC000791053837 585973391 /nfs/dbraw/zinc/97/33/91/585973391.db2.gz HYTKAUAOXVXGJH-ZDUSSCGKSA-N 0 3 236.315 2.558 20 5 BFBDHN CC(COC(=O)[C@@H](C)CCC(C)(C)C)[N+](=O)[O-] ZINC000813105770 586592673 /nfs/dbraw/zinc/59/26/73/586592673.db2.gz UJGGNBUKTZYAGZ-UWVGGRQHSA-N 0 3 245.319 2.657 20 5 BFBDHN CC(COC(=O)C[C@@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813107738 586592733 /nfs/dbraw/zinc/59/27/33/586592733.db2.gz VLWJKXOXWOAETJ-NXEZZACHSA-N 0 3 245.319 2.657 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1C=CCC1 ZINC000850357944 588539524 /nfs/dbraw/zinc/53/95/24/588539524.db2.gz CGZSBYKWFIROKH-VUDGCMKMSA-N 0 3 244.294 2.916 20 5 BFBDHN C[C@H](N[C@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850507495 588553394 /nfs/dbraw/zinc/55/33/94/588553394.db2.gz FOLHKOYXBMLECQ-ONGXEEELSA-N 0 3 247.298 2.546 20 5 BFBDHN O=[N+]([O-])c1ccccc1CNCCC1CCC1 ZINC000122998824 589647965 /nfs/dbraw/zinc/64/79/65/589647965.db2.gz PFMXQXNEBBMOCW-UHFFFAOYSA-N 0 3 234.299 2.875 20 5 BFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCCF ZINC000873080649 589983693 /nfs/dbraw/zinc/98/36/93/589983693.db2.gz RYXHBDOZQSVSMT-UHFFFAOYSA-N 0 3 240.278 2.661 20 5 BFBDHN Cc1c(CN[C@H]2[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000873138032 589986321 /nfs/dbraw/zinc/98/63/21/589986321.db2.gz ARUKZSVMWQRASY-IMRBUKKESA-N 0 3 246.310 2.791 20 5 BFBDHN O=[N+]([O-])c1cc(CNCCC2CCC2)cs1 ZINC000130348558 591459228 /nfs/dbraw/zinc/45/92/28/591459228.db2.gz GYVAXZWKGQLVTH-UHFFFAOYSA-N 0 3 240.328 2.936 20 5 BFBDHN CC(C)[C@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000885965111 592116770 /nfs/dbraw/zinc/11/67/70/592116770.db2.gz JLZNSZKVRIHEDT-GFCCVEGCSA-N 0 3 249.314 2.610 20 5 BFBDHN CCC(C)(C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886068466 592143229 /nfs/dbraw/zinc/14/32/29/592143229.db2.gz YSXQQGZLKNFDSD-UHFFFAOYSA-N 0 3 237.303 2.610 20 5 BFBDHN O=[N+]([O-])CCN[C@H](CC1CCC1)c1ccccc1 ZINC000930243999 639651335 /nfs/dbraw/zinc/65/13/35/639651335.db2.gz DKXLEZXFDMNVMI-CQSZACIVSA-N 0 3 248.326 2.784 20 5 BFBDHN CN(CC[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000930699995 639866716 /nfs/dbraw/zinc/86/67/16/639866716.db2.gz MDYKLDBAKVVUQN-KBPBESRZSA-N 0 3 248.326 2.531 20 5 BFBDHN CC[C@@H](C)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC000929222900 643601357 /nfs/dbraw/zinc/60/13/57/643601357.db2.gz NKGOKVZXIRSFCA-GFCCVEGCSA-N 0 3 236.315 2.564 20 5 BFBDHN CCCN(CC[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000929383896 646105334 /nfs/dbraw/zinc/10/53/34/646105334.db2.gz YEVRVOWFMZIDQU-CQSZACIVSA-N 0 3 248.326 2.663 20 5 BFBDHN CCC=CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170766992 971764323 /nfs/dbraw/zinc/76/43/23/971764323.db2.gz DVINTVRNFSLYCW-ONEGZZNKSA-N 0 3 233.271 2.534 20 5 BFBDHN C[C@H](N[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000698324475 968226207 /nfs/dbraw/zinc/22/62/07/968226207.db2.gz AFXGESJIFNVURE-CMPLNLGQSA-N 0 3 232.283 2.964 20 5 BFBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H]1C ZINC001254552032 969736919 /nfs/dbraw/zinc/73/69/19/969736919.db2.gz IFRLWNJYDGZTLT-MNOVXSKESA-N 0 3 234.299 2.620 20 5 BFBDHN Cc1ccc([N+](=O)[O-])cc1Nc1ccncc1C ZINC001211285480 970216031 /nfs/dbraw/zinc/21/60/31/970216031.db2.gz XNBQVDKTDKIVQA-UHFFFAOYSA-N 0 3 243.266 2.772 20 5 BFBDHN C[C@H](C[N+](C)(C)C)Oc1cccc([O-])c1Cl ZINC001226708755 975039831 /nfs/dbraw/zinc/03/98/31/975039831.db2.gz IYGFZKZXMXYUIX-SECBINFHSA-O 0 3 244.742 2.519 20 5 BFBDHN Cc1c(CN2CC(C(C)C)C2)cccc1[N+](=O)[O-] ZINC001462158179 986297413 /nfs/dbraw/zinc/29/74/13/986297413.db2.gz PRFIDSJTNICNPO-UHFFFAOYSA-N 0 3 248.326 2.991 20 5 BFBDHN O=[N+]([O-])CCN1CCC[C@@H](C2CCCCC2)C1 ZINC001473670585 987524547 /nfs/dbraw/zinc/52/45/47/987524547.db2.gz LPVAYWXQJFBYGC-CYBMUJFWSA-N 0 3 240.347 2.555 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)C1 ZINC000273418584 178271493 /nfs/dbraw/zinc/27/14/93/178271493.db2.gz IZZXLQHXEACUCD-SNVBAGLBSA-N 0 3 234.299 2.745 20 5 BFBDHN C[C@@H]1C[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893195 398309548 /nfs/dbraw/zinc/30/95/48/398309548.db2.gz GEJJZLVNPJTYJU-GHMZBOCLSA-N 0 3 234.299 2.825 20 5 BFBDHN CCCCCNCc1csc([N+](=O)[O-])c1 ZINC000037472318 342935754 /nfs/dbraw/zinc/93/57/54/342935754.db2.gz GNHYFJYJLQHKSV-UHFFFAOYSA-N 0 3 228.317 2.936 20 5 BFBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000076853292 344038934 /nfs/dbraw/zinc/03/89/34/344038934.db2.gz PPQIAZJVQQEINE-UHFFFAOYSA-N 0 3 222.288 2.825 20 5 BFBDHN CC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145066916 344356591 /nfs/dbraw/zinc/35/65/91/344356591.db2.gz FSLXLWZRBSVFPS-LBPRGKRZSA-N 0 3 234.299 2.969 20 5 BFBDHN C[C@H](C1CC1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000078723249 344901533 /nfs/dbraw/zinc/90/15/33/344901533.db2.gz RSEACSBUGXORQA-SNVBAGLBSA-N 0 3 234.299 2.825 20 5 BFBDHN CC1(C)C[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510211 348061294 /nfs/dbraw/zinc/06/12/94/348061294.db2.gz AZJFCKQTVQOBJB-WCQYABFASA-N 0 3 246.310 2.970 20 5 BFBDHN CC1(C)C[C@@]1(C)NCc1csc([N+](=O)[O-])c1 ZINC000594997094 348168298 /nfs/dbraw/zinc/16/82/98/348168298.db2.gz SUGJLBRNMDARGC-LLVKDONJSA-N 0 3 240.328 2.935 20 5 BFBDHN O=[N+]([O-])c1cc(CNCC2CC=CC2)cs1 ZINC000598991731 349073000 /nfs/dbraw/zinc/07/30/00/349073000.db2.gz DPJTUMFYTKBRPT-UHFFFAOYSA-N 0 3 238.312 2.712 20 5 BFBDHN CC(C)[C@H]1CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000342863166 350816567 /nfs/dbraw/zinc/81/65/67/350816567.db2.gz VXRHEBWXCLDUAE-CYBMUJFWSA-N 0 3 234.299 2.825 20 5 BFBDHN Cc1c(CNCc2cc[nH]c2)cccc1[N+](=O)[O-] ZINC000231883644 351434566 /nfs/dbraw/zinc/43/45/66/351434566.db2.gz OSYBTBBTCXXWOU-UHFFFAOYSA-N 0 3 245.282 2.521 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403577065 353161360 /nfs/dbraw/zinc/16/13/60/353161360.db2.gz YYYKJFAPNXYBKE-WCFLWFBJSA-N 0 3 246.310 2.873 20 5 BFBDHN C[C@@H]1C[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000610133468 357222031 /nfs/dbraw/zinc/22/20/31/357222031.db2.gz RRPZRJYNCITLPK-GHMZBOCLSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000322008242 259483705 /nfs/dbraw/zinc/48/37/05/259483705.db2.gz IDTVLUZHKVZFPC-SCVCMEIPSA-N 0 3 234.299 2.729 20 5 BFBDHN CCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037078789 361634141 /nfs/dbraw/zinc/63/41/41/361634141.db2.gz IGKIJHVNYRXQPR-UHFFFAOYSA-N 0 3 228.679 2.700 20 5 BFBDHN CC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000170790338 364204869 /nfs/dbraw/zinc/20/48/69/364204869.db2.gz ICIUFYOZKZPQAE-JTQLQIEISA-N 0 3 222.288 2.825 20 5 BFBDHN CC1(C)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000170872826 364555656 /nfs/dbraw/zinc/55/56/56/364555656.db2.gz YCJNRVLMJCFYLX-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN C[C@@H](CC1CC1)NCc1csc([N+](=O)[O-])c1 ZINC000069662946 370969379 /nfs/dbraw/zinc/96/93/79/370969379.db2.gz FENNBYZCDMRPOI-QMMMGPOBSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@H]1C[C@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415668 371631131 /nfs/dbraw/zinc/63/11/31/371631131.db2.gz OPFJKWKNLFZJDX-JQWIXIFHSA-N 0 3 246.310 2.609 20 5 BFBDHN CCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000087225983 169081315 /nfs/dbraw/zinc/08/13/15/169081315.db2.gz PIAKHHWMJWMJKN-UHFFFAOYSA-N 0 3 226.251 2.576 20 5 BFBDHN CCCN(CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000299379833 169130086 /nfs/dbraw/zinc/13/00/86/169130086.db2.gz NHMNSOJJILTJAJ-UHFFFAOYSA-N 0 3 222.288 2.827 20 5 BFBDHN C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000310553169 384194049 /nfs/dbraw/zinc/19/40/49/384194049.db2.gz XEDUXECRLFODIN-FOGDFJRCSA-N 0 3 234.299 2.729 20 5 BFBDHN Cc1c(CN2C[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362434189 384215161 /nfs/dbraw/zinc/21/51/61/384215161.db2.gz LWWLIPJVGGRHLY-PHIMTYICSA-N 0 3 248.326 2.991 20 5 BFBDHN O=[N+]([O-])c1ccc2c(c1)CN(CCC1CC1)CC2 ZINC000359913181 384458371 /nfs/dbraw/zinc/45/83/71/384458371.db2.gz SUUOJAAILXEKIY-UHFFFAOYSA-N 0 3 246.310 2.753 20 5 BFBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000037472360 384502926 /nfs/dbraw/zinc/50/29/26/384502926.db2.gz WJXQLDAAUIUUJU-ZETCQYMHSA-N 0 3 226.301 2.544 20 5 BFBDHN CCN(CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000263806731 385146689 /nfs/dbraw/zinc/14/66/89/385146689.db2.gz WILCDMCUQKKPQC-JTQLQIEISA-N 0 3 222.288 2.998 20 5 BFBDHN CCC1(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294919811 385307651 /nfs/dbraw/zinc/30/76/51/385307651.db2.gz YOWMYYLBSYAYII-UHFFFAOYSA-N 0 3 220.272 2.627 20 5 BFBDHN CCN(CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000087225957 386745090 /nfs/dbraw/zinc/74/50/90/386745090.db2.gz LJHYTCNUNGPBCU-UHFFFAOYSA-N 0 3 226.251 2.576 20 5 BFBDHN CC[C@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548783656 388369125 /nfs/dbraw/zinc/36/91/25/388369125.db2.gz OMWVYGXWUOKXPK-JTQLQIEISA-N 0 3 234.299 2.751 20 5 BFBDHN Cc1ccc(CN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000124320646 388745333 /nfs/dbraw/zinc/74/53/33/388745333.db2.gz UNIFURFBLHQVCY-LLVKDONJSA-N 0 3 234.299 2.888 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC12CC2 ZINC000424181260 388694756 /nfs/dbraw/zinc/69/47/56/388694756.db2.gz BNNNOUFZYANPRW-LBPRGKRZSA-N 0 3 232.283 2.545 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424204972 388694768 /nfs/dbraw/zinc/69/47/68/388694768.db2.gz VWNKDTAOWVBMGQ-UONOGXRCSA-N 0 3 246.310 2.873 20 5 BFBDHN C[C@H](N[C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424326258 388695902 /nfs/dbraw/zinc/69/59/02/388695902.db2.gz OSCKTCMXGRTTAF-CABZTGNLSA-N 0 3 232.283 2.798 20 5 BFBDHN C[C@H](NCc1cc[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000080773834 135384783 /nfs/dbraw/zinc/38/47/83/135384783.db2.gz LMTZDZXUWNMAIB-JTQLQIEISA-N 0 3 245.282 2.774 20 5 BFBDHN CC1(CCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000280628113 168020301 /nfs/dbraw/zinc/02/03/01/168020301.db2.gz QEFFSWQKFYUNDJ-UHFFFAOYSA-N 0 3 234.299 2.875 20 5 BFBDHN CN(CCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000173208014 172682546 /nfs/dbraw/zinc/68/25/46/172682546.db2.gz RSGMOUKHMCYHOY-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC1 ZINC000132713662 325240217 /nfs/dbraw/zinc/24/02/17/325240217.db2.gz QMPMHCXDACYEQT-VIFPVBQESA-N 0 3 220.272 2.716 20 5 BFBDHN CC[C@H]1CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000348059847 536101167 /nfs/dbraw/zinc/10/11/67/536101167.db2.gz BQOXODRICBNQJP-CMPLNLGQSA-N 0 3 234.299 2.873 20 5 BFBDHN CCCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000857029228 588882856 /nfs/dbraw/zinc/88/28/56/588882856.db2.gz KWHCWNMFNAVCQW-QWRGUYRKSA-N 0 3 245.319 2.657 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[C@H]21 ZINC000761087344 584909243 /nfs/dbraw/zinc/90/92/43/584909243.db2.gz FCJPCGWBYUGUHH-GBIKHYSHSA-N 0 3 232.283 2.750 20 5 BFBDHN C[C@@H](C1CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000782181631 585810130 /nfs/dbraw/zinc/81/01/30/585810130.db2.gz DECKBQMFZUJUIV-JTQLQIEISA-N 0 3 246.310 2.751 20 5 BFBDHN CC(COC(=O)CCCCC(C)(C)C)[N+](=O)[O-] ZINC000813104175 586592282 /nfs/dbraw/zinc/59/22/82/586592282.db2.gz XLJFZHBITDXYCV-JTQLQIEISA-N 0 3 245.319 2.801 20 5 BFBDHN CCCC[C@@H](CC)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813110060 586593285 /nfs/dbraw/zinc/59/32/85/586593285.db2.gz ZCGHVDLTGARTKN-WDEREUQCSA-N 0 3 245.319 2.801 20 5 BFBDHN CC(COC(=O)CC1(C)CCCCC1)[N+](=O)[O-] ZINC000813114023 586594119 /nfs/dbraw/zinc/59/41/19/586594119.db2.gz XVBVHVAEHCELER-JTQLQIEISA-N 0 3 243.303 2.555 20 5 BFBDHN CC(C)CCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115792 586594464 /nfs/dbraw/zinc/59/44/64/586594464.db2.gz ZRGPLHSKHVWVTI-LLVKDONJSA-N 0 3 245.319 2.801 20 5 BFBDHN CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015890 589856048 /nfs/dbraw/zinc/85/60/48/589856048.db2.gz ADGZSEHKSICJGJ-MRVPVSSYSA-N 0 3 226.251 2.795 20 5 BFBDHN CC[C@@H]1CCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886170097 592168261 /nfs/dbraw/zinc/16/82/61/592168261.db2.gz PHJMUYVRXSBERR-ZYHUDNBSSA-N 0 3 249.314 2.658 20 5 BFBDHN C[C@@H](NC[C@@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000219154876 592211494 /nfs/dbraw/zinc/21/14/94/592211494.db2.gz KJIXIRPILBEPEG-AXFHLTTASA-N 0 3 234.299 2.901 20 5 BFBDHN C[C@@H](NC[C@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000219154940 592211724 /nfs/dbraw/zinc/21/17/24/592211724.db2.gz KJIXIRPILBEPEG-HBNTYKKESA-N 0 3 234.299 2.901 20 5 BFBDHN Cc1ccc(CN(C)CCCF)cc1[N+](=O)[O-] ZINC000887142685 592459581 /nfs/dbraw/zinc/45/95/81/592459581.db2.gz WEVJEADNHNQCQC-UHFFFAOYSA-N 0 3 240.278 2.695 20 5 BFBDHN C[C@@H](NCc1csc([N+](=O)[O-])c1)C1(C)CC1 ZINC000309735234 632663069 /nfs/dbraw/zinc/66/30/69/632663069.db2.gz CDNIFNZISZVLIM-MRVPVSSYSA-N 0 3 240.328 2.935 20 5 BFBDHN CC(C)[C@@H]1N(CC[N+](=O)[O-])CC12CCCCC2 ZINC000899887488 637149749 /nfs/dbraw/zinc/14/97/49/637149749.db2.gz UDBIRYCDUCKYSX-LBPRGKRZSA-N 0 3 240.347 2.554 20 5 BFBDHN Cc1cccc(C)c1[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000930923397 639990533 /nfs/dbraw/zinc/99/05/33/639990533.db2.gz PHMPEOQDDDYTBK-ZDUSSCGKSA-N 0 3 248.326 2.717 20 5 BFBDHN O=[N+]([O-])CCN[C@@H](c1ccccc1)C1CCCC1 ZINC000929974224 646382482 /nfs/dbraw/zinc/38/24/82/646382482.db2.gz YELCGFNQWPOTQT-AWEZNQCLSA-N 0 3 248.326 2.784 20 5 BFBDHN Cc1ccc(Nc2ccncc2C)cc1[N+](=O)[O-] ZINC001213660029 970370050 /nfs/dbraw/zinc/37/00/50/970370050.db2.gz NKQLMQFUCRDNCL-UHFFFAOYSA-N 0 3 243.266 2.772 20 5 BFBDHN C[C@@H](C[N+](C)(C)C)Oc1cccc([O-])c1Cl ZINC001226708757 975038245 /nfs/dbraw/zinc/03/82/45/975038245.db2.gz IYGFZKZXMXYUIX-VIFPVBQESA-O 0 3 244.742 2.519 20 5 BFBDHN CC(COC(=O)C(C)(C)CC(C)(C)C)[N+](=O)[O-] ZINC001123042120 990495063 /nfs/dbraw/zinc/49/50/63/990495063.db2.gz KAGVMZKBGWTNSY-VIFPVBQESA-N 0 3 245.319 2.657 20 5 BFBDHN C[C@@H](NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000037472361 342935659 /nfs/dbraw/zinc/93/56/59/342935659.db2.gz WJXQLDAAUIUUJU-SSDOTTSWSA-N 0 3 226.301 2.544 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000594985323 348165772 /nfs/dbraw/zinc/16/57/72/348165772.db2.gz VZTUZRJWSUXDCW-DOFRTFSJSA-N 0 3 238.312 2.544 20 5 BFBDHN C/C=C/CNCc1ccc([N+](=O)[O-])cc1C ZINC000599005238 349074503 /nfs/dbraw/zinc/07/45/03/349074503.db2.gz NSOHHFHHLWLLAR-ONEGZZNKSA-N 0 3 220.272 2.569 20 5 BFBDHN C/C=C/CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599080633 349096051 /nfs/dbraw/zinc/09/60/51/349096051.db2.gz ICKLAKYJKJQRAR-JDGPPOGSSA-N 0 3 232.283 2.748 20 5 BFBDHN CC(C)=CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000191625999 538038701 /nfs/dbraw/zinc/03/87/01/538038701.db2.gz MRBXDAATZYZMQE-UHFFFAOYSA-N 0 3 234.299 2.959 20 5 BFBDHN CC(C)[C@@H]1CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000342863167 350816882 /nfs/dbraw/zinc/81/68/82/350816882.db2.gz VXRHEBWXCLDUAE-ZDUSSCGKSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@@H]1C[C@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415669 371630288 /nfs/dbraw/zinc/63/02/88/371630288.db2.gz OPFJKWKNLFZJDX-PWSUYJOCSA-N 0 3 246.310 2.609 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC=CCC1 ZINC000076770885 182949563 /nfs/dbraw/zinc/94/95/63/182949563.db2.gz GHNBLHHESYNTSZ-GFCCVEGCSA-N 0 3 232.283 2.793 20 5 BFBDHN CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171679626 169177888 /nfs/dbraw/zinc/17/78/88/169177888.db2.gz VTRBQBLDUPIMMA-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963262 169268497 /nfs/dbraw/zinc/26/84/97/169268497.db2.gz BNUUFPGYEZMFRD-UHFFFAOYSA-N 0 3 228.679 2.748 20 5 BFBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000111298490 383850348 /nfs/dbraw/zinc/85/03/48/383850348.db2.gz HOJOCXKWHJLXKZ-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN C[C@H](F)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000339498889 383991919 /nfs/dbraw/zinc/99/19/19/383991919.db2.gz TVOWFIGJXBAGGH-QMMMGPOBSA-N 0 3 244.241 2.572 20 5 BFBDHN C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000310553171 384193233 /nfs/dbraw/zinc/19/32/33/384193233.db2.gz XEDUXECRLFODIN-SCVCMEIPSA-N 0 3 234.299 2.729 20 5 BFBDHN C[C@H](NCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000127005769 384239287 /nfs/dbraw/zinc/23/92/87/384239287.db2.gz ZHOQXZQLCIQAQJ-VIFPVBQESA-N 0 3 226.251 2.605 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@@H]2CC=CCC2)cs1 ZINC000080122459 384452139 /nfs/dbraw/zinc/45/21/39/384452139.db2.gz NPNCHCSEAXHPEL-SNVBAGLBSA-N 0 3 238.312 2.855 20 5 BFBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000564928931 384583206 /nfs/dbraw/zinc/58/32/06/384583206.db2.gz LFCHLXKBCMBXJE-UHFFFAOYSA-N 0 3 222.288 2.825 20 5 BFBDHN C[C@@H](NCCCF)c1ccccc1[N+](=O)[O-] ZINC000127010157 384851805 /nfs/dbraw/zinc/85/18/05/384851805.db2.gz HFQIIVMOUAPYOC-SECBINFHSA-N 0 3 226.251 2.605 20 5 BFBDHN O=[N+]([O-])c1ccccc1CCNCc1ccco1 ZINC000062726226 385125332 /nfs/dbraw/zinc/12/53/32/385125332.db2.gz SBVGNNBTJIHTTG-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CC12CC2 ZINC000564469288 385545060 /nfs/dbraw/zinc/54/50/60/385545060.db2.gz BNTBYCLFYJPIQN-YPMHNXCESA-N 0 3 244.294 2.724 20 5 BFBDHN CC(C)C1(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000292969242 385729788 /nfs/dbraw/zinc/72/97/88/385729788.db2.gz KCYKAIUOBWZGQB-UHFFFAOYSA-N 0 3 234.299 2.873 20 5 BFBDHN Cc1ccc(CNCC[C@H](C)F)cc1[N+](=O)[O-] ZINC000339493447 386445982 /nfs/dbraw/zinc/44/59/82/386445982.db2.gz HLZYIMQCCHPAMA-JTQLQIEISA-N 0 3 240.278 2.741 20 5 BFBDHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294957885 386759462 /nfs/dbraw/zinc/75/94/62/386759462.db2.gz YVTFAPQXMAMHDT-PRHODGIISA-N 0 3 249.314 2.626 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC=CCC1 ZINC000076770882 388444004 /nfs/dbraw/zinc/44/40/04/388444004.db2.gz GHNBLHHESYNTSZ-LBPRGKRZSA-N 0 3 232.283 2.793 20 5 BFBDHN CN(CCC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000173471387 388423481 /nfs/dbraw/zinc/42/34/81/388423481.db2.gz LCHWMBAQMOIKTD-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN O=[N+]([O-])c1cc(CNC[C@H]2CC23CC3)cs1 ZINC000418100928 388675239 /nfs/dbraw/zinc/67/52/39/388675239.db2.gz RQHRTXABALOFIU-SECBINFHSA-N 0 3 238.312 2.546 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]1C1CC1 ZINC000449430792 388749609 /nfs/dbraw/zinc/74/96/09/388749609.db2.gz YLYJVZXJEXLBKF-AWEZNQCLSA-N 0 3 246.310 2.888 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424190772 388694813 /nfs/dbraw/zinc/69/48/13/388694813.db2.gz GLSFRZIDLOJCSN-QWHCGFSZSA-N 0 3 246.310 2.873 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426455013 388710676 /nfs/dbraw/zinc/71/06/76/388710676.db2.gz SAVZFWBSWSVFEP-WCQYABFASA-N 0 3 246.310 2.969 20 5 BFBDHN CSCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000068994768 388719149 /nfs/dbraw/zinc/71/91/49/388719149.db2.gz UPDUUPMPPDEWMM-VIFPVBQESA-N 0 3 240.328 2.608 20 5 BFBDHN CCN(Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000070014750 388727713 /nfs/dbraw/zinc/72/77/13/388727713.db2.gz IRPMLRPIBFSSSD-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC[C@H]1C1CC1 ZINC000348086367 136034744 /nfs/dbraw/zinc/03/47/44/136034744.db2.gz YVSIFOOASPYODV-QWHCGFSZSA-N 0 3 246.310 2.873 20 5 BFBDHN C[C@@H](CC1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000070101184 410439163 /nfs/dbraw/zinc/43/91/63/410439163.db2.gz BRFUHJPOBSJLGG-JTQLQIEISA-N 0 3 234.299 2.873 20 5 BFBDHN C[C@H](CC1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000070101185 410440401 /nfs/dbraw/zinc/44/04/01/410440401.db2.gz BRFUHJPOBSJLGG-SNVBAGLBSA-N 0 3 234.299 2.873 20 5 BFBDHN CC1(C)CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000290197054 167937348 /nfs/dbraw/zinc/93/73/48/167937348.db2.gz UHEVJEXGYONBKM-VIFPVBQESA-N 0 3 240.328 2.935 20 5 BFBDHN O=[N+]([O-])c1ccc(CNC2CCC2)c(Cl)c1 ZINC000052209374 411399832 /nfs/dbraw/zinc/39/98/32/411399832.db2.gz AWINPNSTROHYIK-UHFFFAOYSA-N 0 3 240.690 2.890 20 5 BFBDHN CC[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000068450382 171307341 /nfs/dbraw/zinc/30/73/41/171307341.db2.gz VXYXKZRGDKJUQL-JTQLQIEISA-N 0 3 222.288 2.825 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)C1 ZINC000266555426 176179833 /nfs/dbraw/zinc/17/98/33/176179833.db2.gz VRRZVOQMWNXRKG-GHMZBOCLSA-N 0 3 234.299 2.998 20 5 BFBDHN C[C@@H]1CC[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000123328577 176199538 /nfs/dbraw/zinc/19/95/38/176199538.db2.gz DKLPPWVMCWWYRK-GHMZBOCLSA-N 0 3 234.299 2.968 20 5 BFBDHN C[C@@H]1CC[C@@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000123275797 176200226 /nfs/dbraw/zinc/20/02/26/176200226.db2.gz XZBXISMYOGXITK-GHMZBOCLSA-N 0 3 234.299 2.968 20 5 BFBDHN C[C@@H]1CC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000310263979 176237024 /nfs/dbraw/zinc/23/70/24/176237024.db2.gz IEEWJCBQPDDBGZ-PRHODGIISA-N 0 3 238.262 2.622 20 5 BFBDHN C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248366877 177164398 /nfs/dbraw/zinc/16/43/98/177164398.db2.gz SQMKDMDRSGMRQA-QWRGUYRKSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@@H]1CC[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000123060945 177187880 /nfs/dbraw/zinc/18/78/80/177187880.db2.gz GPNXUPSVVXIUEY-PHIMTYICSA-N 0 3 234.299 2.968 20 5 BFBDHN C[C@H]1CC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000310263980 177207273 /nfs/dbraw/zinc/20/72/73/177207273.db2.gz IEEWJCBQPDDBGZ-QPUJVOFHSA-N 0 3 238.262 2.622 20 5 BFBDHN O=[N+]([O-])c1ccccc1CNCCCC1CC1 ZINC000130622606 325074376 /nfs/dbraw/zinc/07/43/76/325074376.db2.gz WGSRXFIQEDENAS-UHFFFAOYSA-N 0 3 234.299 2.875 20 5 BFBDHN CC[C@@H]1CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000348059849 535823676 /nfs/dbraw/zinc/82/36/76/535823676.db2.gz BQOXODRICBNQJP-PWSUYJOCSA-N 0 3 234.299 2.873 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897953266 584063970 /nfs/dbraw/zinc/06/39/70/584063970.db2.gz ODYRISSVTHIUET-RAIGVLPGSA-N 0 3 246.310 2.873 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897953267 584064101 /nfs/dbraw/zinc/06/41/01/584064101.db2.gz ODYRISSVTHIUET-WCFLWFBJSA-N 0 3 246.310 2.873 20 5 BFBDHN Cc1ccccc1[C@H](NCC[N+](=O)[O-])C(C)C ZINC000791053834 585973138 /nfs/dbraw/zinc/97/31/38/585973138.db2.gz HYTKAUAOXVXGJH-CYBMUJFWSA-N 0 3 236.315 2.558 20 5 BFBDHN CC(COC(=O)CCCC1CCCC1)[N+](=O)[O-] ZINC000813104508 586592596 /nfs/dbraw/zinc/59/25/96/586592596.db2.gz NMRZXRPVFJCFHG-JTQLQIEISA-N 0 3 243.303 2.555 20 5 BFBDHN CCCCCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109490 586593069 /nfs/dbraw/zinc/59/30/69/586593069.db2.gz UKYWVEPFXGVBRC-JTQLQIEISA-N 0 3 245.319 2.801 20 5 BFBDHN CC/C=C\CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834877738 587769044 /nfs/dbraw/zinc/76/90/44/587769044.db2.gz VFDQHWNUIZGTQC-LWTINBJPSA-N 0 3 249.314 2.794 20 5 BFBDHN C/C=C/CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873148767 589986711 /nfs/dbraw/zinc/98/67/11/589986711.db2.gz PMOHABFFZKYKEI-SNAWJCMRSA-N 0 3 234.299 2.877 20 5 BFBDHN CCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131033873 591543203 /nfs/dbraw/zinc/54/32/03/591543203.db2.gz FNNZZPWONMBCML-UHFFFAOYSA-N 0 3 228.679 2.700 20 5 BFBDHN CC[C@@H]1C[C@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886027043 592135256 /nfs/dbraw/zinc/13/52/56/592135256.db2.gz BPGHVJFCUMJDKH-CMPLNLGQSA-N 0 3 249.314 2.610 20 5 BFBDHN CC[C@@H]1C[C@@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886027047 592135300 /nfs/dbraw/zinc/13/53/00/592135300.db2.gz BPGHVJFCUMJDKH-ZYHUDNBSSA-N 0 3 249.314 2.610 20 5 BFBDHN C[C@H]1CCCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886127157 592159055 /nfs/dbraw/zinc/15/90/55/592159055.db2.gz CQYHIEDCBZIBSU-CMPLNLGQSA-N 0 3 249.314 2.658 20 5 BFBDHN CC[C@@H]1CCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886170096 592168638 /nfs/dbraw/zinc/16/86/38/592168638.db2.gz PHJMUYVRXSBERR-PWSUYJOCSA-N 0 3 249.314 2.658 20 5 BFBDHN CC[C@H](NCC[N+](=O)[O-])c1cc(C)ccc1C ZINC000931262248 640121017 /nfs/dbraw/zinc/12/10/17/640121017.db2.gz PGAUJWIKXQHECO-ZDUSSCGKSA-N 0 3 236.315 2.621 20 5 BFBDHN CC[C@H](C)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC000929222901 643600981 /nfs/dbraw/zinc/60/09/81/643600981.db2.gz NKGOKVZXIRSFCA-LBPRGKRZSA-N 0 3 236.315 2.564 20 5 BFBDHN CC1(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CCC1 ZINC001164031902 968158287 /nfs/dbraw/zinc/15/82/87/968158287.db2.gz FGGQFMWEMBAKTF-UHFFFAOYSA-N 0 3 247.298 2.553 20 5 BFBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)C1 ZINC001173226457 975074290 /nfs/dbraw/zinc/07/42/90/975074290.db2.gz LSTZDZCGUWSDBQ-NSHDSACASA-N 0 3 248.326 2.868 20 5 BFBDHN Cc1cc(NCCF)c2cc([N+](=O)[O-])ccc2n1 ZINC000280493382 178159503 /nfs/dbraw/zinc/15/95/03/178159503.db2.gz BJRJJSYNZYZCHY-UHFFFAOYSA-N 0 3 249.245 2.833 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC1CC1 ZINC000183292596 178271671 /nfs/dbraw/zinc/27/16/71/178271671.db2.gz UPUAYAXHACFPPM-UHFFFAOYSA-N 0 3 234.299 2.745 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@H](C)F ZINC000339492211 178271796 /nfs/dbraw/zinc/27/17/96/178271796.db2.gz DPLRCFVHZZHCGY-JTQLQIEISA-N 0 3 240.278 2.741 20 5 BFBDHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000135457628 344408889 /nfs/dbraw/zinc/40/88/89/344408889.db2.gz KJIXIRPILBEPEG-VWYCJHECSA-N 0 3 234.299 2.901 20 5 BFBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000076111003 344795222 /nfs/dbraw/zinc/79/52/22/344795222.db2.gz BMXXMEFYLKSENE-PHIMTYICSA-N 0 3 234.299 2.683 20 5 BFBDHN Cc1ccc(CN2C[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093503478 345674666 /nfs/dbraw/zinc/67/46/66/345674666.db2.gz SGMNVCYEJQWILP-RYUDHWBXSA-N 0 3 248.326 2.991 20 5 BFBDHN C[C@@H](CNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000136337379 346194464 /nfs/dbraw/zinc/19/44/64/346194464.db2.gz BCEYFWSSCXMFPJ-QMMMGPOBSA-N 0 3 240.328 2.792 20 5 BFBDHN C[C@H](CNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000136337423 346194536 /nfs/dbraw/zinc/19/45/36/346194536.db2.gz BCEYFWSSCXMFPJ-MRVPVSSYSA-N 0 3 240.328 2.792 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@@]23C[C@@H]2CCC3)cc1 ZINC000594953414 348147960 /nfs/dbraw/zinc/14/79/60/348147960.db2.gz SLYUWKYBROEEFD-AAEUAGOBSA-N 0 3 232.283 2.627 20 5 BFBDHN CC(C)(F)CCNCc1cccc([N+](=O)[O-])c1 ZINC000594972312 348162179 /nfs/dbraw/zinc/16/21/79/348162179.db2.gz CYKAQINBGJZDRX-UHFFFAOYSA-N 0 3 240.278 2.823 20 5 BFBDHN CN(Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000563080525 348425723 /nfs/dbraw/zinc/42/57/23/348425723.db2.gz FZGHYQXHYHYQEZ-UHFFFAOYSA-N 0 3 222.288 2.825 20 5 BFBDHN Cc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597222514 348693217 /nfs/dbraw/zinc/69/32/17/348693217.db2.gz DTKIUHANAADKOL-CHWSQXEVSA-N 0 3 246.310 2.745 20 5 BFBDHN CC(C)[C@H]1CCN1Cc1ccccc1[N+](=O)[O-] ZINC000342862377 350816896 /nfs/dbraw/zinc/81/68/96/350816896.db2.gz SMPROEWEFRDHNC-GFCCVEGCSA-N 0 3 234.299 2.825 20 5 BFBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCF ZINC000437243405 201348117 /nfs/dbraw/zinc/34/81/17/201348117.db2.gz BZYNQNHHLNLFGD-YFHOEESVSA-N 0 3 238.262 2.557 20 5 BFBDHN CCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602503258 371814941 /nfs/dbraw/zinc/81/49/41/371814941.db2.gz PGRDWTJUOFYUFY-UHFFFAOYSA-N 0 3 249.270 2.626 20 5 BFBDHN C[C@H](CSc1cccc([N+](=O)[O-])c1)N(C)C ZINC000337775561 383850644 /nfs/dbraw/zinc/85/06/44/383850644.db2.gz XJKUVKJIBNGDSJ-SECBINFHSA-N 0 3 240.328 2.637 20 5 BFBDHN C[C@@H](CSc1cccc([N+](=O)[O-])c1)N(C)C ZINC000337775562 383851527 /nfs/dbraw/zinc/85/15/27/383851527.db2.gz XJKUVKJIBNGDSJ-VIFPVBQESA-N 0 3 240.328 2.637 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](C3CC3)C2)cc1 ZINC000362413711 384206712 /nfs/dbraw/zinc/20/67/12/384206712.db2.gz NRBVKPYLPOBMRR-CYBMUJFWSA-N 0 3 246.310 2.827 20 5 BFBDHN CC(C)=CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285283914 384439419 /nfs/dbraw/zinc/43/94/19/384439419.db2.gz RIWVFVWKHAGREJ-SNVBAGLBSA-N 0 3 249.314 2.794 20 5 BFBDHN CC1(C)CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000395180425 384513298 /nfs/dbraw/zinc/51/32/98/384513298.db2.gz MZQVVXPPIKOLQE-UHFFFAOYSA-N 0 3 234.299 2.873 20 5 BFBDHN CCCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047703420 384671044 /nfs/dbraw/zinc/67/10/44/384671044.db2.gz LGCQPDCBWPNGOK-JTQLQIEISA-N 0 3 222.288 2.998 20 5 BFBDHN CCN(CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000263806733 385148414 /nfs/dbraw/zinc/14/84/14/385148414.db2.gz WILCDMCUQKKPQC-SNVBAGLBSA-N 0 3 222.288 2.998 20 5 BFBDHN CC[C@H]1CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000292875172 385725252 /nfs/dbraw/zinc/72/52/52/385725252.db2.gz WXANMZMBOPBFOD-LBPRGKRZSA-N 0 3 234.299 2.888 20 5 BFBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000322008239 385911698 /nfs/dbraw/zinc/91/16/98/385911698.db2.gz IDTVLUZHKVZFPC-FOGDFJRCSA-N 0 3 234.299 2.729 20 5 BFBDHN CC(F)(F)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000294144595 386434368 /nfs/dbraw/zinc/43/43/68/386434368.db2.gz GSDAYGGINVPMPB-UHFFFAOYSA-N 0 3 244.241 2.730 20 5 BFBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045770782 387993774 /nfs/dbraw/zinc/99/37/74/387993774.db2.gz BTIDMKHLDVQAAC-UHFFFAOYSA-N 0 3 220.272 2.579 20 5 BFBDHN O=[N+]([O-])c1ccccc1N1CCc2cnccc21 ZINC000175005099 388102344 /nfs/dbraw/zinc/10/23/44/388102344.db2.gz ISLCKXZHGQBALD-UHFFFAOYSA-N 0 3 241.250 2.684 20 5 BFBDHN C[C@@H]1C[C@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000548752910 388368250 /nfs/dbraw/zinc/36/82/50/388368250.db2.gz FUUORWDRRNWXOP-PHIMTYICSA-N 0 3 234.299 2.620 20 5 BFBDHN CC/C=C/CNCc1ccc([N+](=O)[O-])cc1C ZINC000449455442 388749348 /nfs/dbraw/zinc/74/93/48/388749348.db2.gz LLSQYAAUNDEJER-SNAWJCMRSA-N 0 3 234.299 2.959 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC12CC2 ZINC000424181259 388695200 /nfs/dbraw/zinc/69/52/00/388695200.db2.gz BNNNOUFZYANPRW-GFCCVEGCSA-N 0 3 232.283 2.545 20 5 BFBDHN C[C@@H](N[C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424320796 388695873 /nfs/dbraw/zinc/69/58/73/388695873.db2.gz JRAMTSPEVCGHNA-SKDRFNHKSA-N 0 3 232.283 2.798 20 5 BFBDHN C[C@@H](N[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424326256 388696176 /nfs/dbraw/zinc/69/61/76/388696176.db2.gz OSCKTCMXGRTTAF-BXKDBHETSA-N 0 3 232.283 2.798 20 5 BFBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCF ZINC000126970727 388709209 /nfs/dbraw/zinc/70/92/09/388709209.db2.gz NEVDZYBALFXNFF-JTQLQIEISA-N 0 3 240.278 2.913 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426456813 388710659 /nfs/dbraw/zinc/71/06/59/388710659.db2.gz XACOUCSRSLRATQ-JSGCOSHPSA-N 0 3 246.310 2.969 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](C2CC2)C1 ZINC000378311685 388727478 /nfs/dbraw/zinc/72/74/78/388727478.db2.gz DRUYUDHBYJHMKD-GFCCVEGCSA-N 0 3 246.310 2.827 20 5 BFBDHN CC1(C)C[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000226256845 134362502 /nfs/dbraw/zinc/36/25/02/134362502.db2.gz SREXRXRXYNLSKQ-NSHDSACASA-N 0 3 234.299 2.731 20 5 BFBDHN CCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255406094 135130148 /nfs/dbraw/zinc/13/01/48/135130148.db2.gz XGVTXEPBMVSOGI-VURMDHGXSA-N 0 3 220.272 2.560 20 5 BFBDHN CCC1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000342684052 135304297 /nfs/dbraw/zinc/30/42/97/135304297.db2.gz APHYYDQWYGMBEL-UHFFFAOYSA-N 0 3 234.299 2.873 20 5 BFBDHN C[C@@H](NCc1cc[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000080773836 135384987 /nfs/dbraw/zinc/38/49/87/135384987.db2.gz LMTZDZXUWNMAIB-SNVBAGLBSA-N 0 3 245.282 2.774 20 5 BFBDHN CC1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000165486205 168044096 /nfs/dbraw/zinc/04/40/96/168044096.db2.gz QUPKYPDWXDPHHI-UHFFFAOYSA-N 0 3 240.328 2.936 20 5 BFBDHN CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000036819305 170126743 /nfs/dbraw/zinc/12/67/43/170126743.db2.gz ADDCEYJGYMDSCY-UHFFFAOYSA-N 0 3 246.266 2.964 20 5 BFBDHN CC[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000125514150 171010522 /nfs/dbraw/zinc/01/05/22/171010522.db2.gz HOBWOHCODGBAJD-LLVKDONJSA-N 0 3 234.299 2.827 20 5 BFBDHN C[C@@H]1CCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000070827905 176131748 /nfs/dbraw/zinc/13/17/48/176131748.db2.gz JUAAPYNUZLTWCL-SCZZXKLOSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000266557186 177042305 /nfs/dbraw/zinc/04/23/05/177042305.db2.gz WIUNJWBNEDWYDH-SNVBAGLBSA-N 0 3 220.272 2.752 20 5 BFBDHN C[C@H]1CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000310263982 177194898 /nfs/dbraw/zinc/19/48/98/177194898.db2.gz IEEWJCBQPDDBGZ-UFBFGSQYSA-N 0 3 238.262 2.622 20 5 BFBDHN C[C@H]1C[C@@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000488348390 225382417 /nfs/dbraw/zinc/38/24/17/225382417.db2.gz MJNKDAGULOQOLX-CMPLNLGQSA-N 0 3 234.299 2.683 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000562967036 323060698 /nfs/dbraw/zinc/06/06/98/323060698.db2.gz AAKXEXLJURFIPS-UONOGXRCSA-N 0 3 246.310 2.873 20 5 BFBDHN CN(Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000563080841 323088189 /nfs/dbraw/zinc/08/81/89/323088189.db2.gz HOJXXPNFBFVLBB-UHFFFAOYSA-N 0 3 222.288 2.825 20 5 BFBDHN C[C@@H]1C[C@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000488348392 534019555 /nfs/dbraw/zinc/01/95/55/534019555.db2.gz MJNKDAGULOQOLX-PWSUYJOCSA-N 0 3 234.299 2.683 20 5 BFBDHN O=[N+]([O-])CCN1CCC[C@@H](c2ccccc2)CC1 ZINC000791053011 583385080 /nfs/dbraw/zinc/38/50/80/583385080.db2.gz RSORVQWEIFRZGD-CQSZACIVSA-N 0 3 248.326 2.533 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCCF ZINC000766010522 585495660 /nfs/dbraw/zinc/49/56/60/585495660.db2.gz WHKBCCGXTZYHDI-SNVBAGLBSA-N 0 3 240.278 2.947 20 5 BFBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCCF ZINC000766010521 585495798 /nfs/dbraw/zinc/49/57/98/585495798.db2.gz WHKBCCGXTZYHDI-JTQLQIEISA-N 0 3 240.278 2.947 20 5 BFBDHN CCCCCC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110117 586593187 /nfs/dbraw/zinc/59/31/87/586593187.db2.gz ZPFYWFONWDZTLS-WDEREUQCSA-N 0 3 245.319 2.801 20 5 BFBDHN CC/C=C/CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834877742 587769017 /nfs/dbraw/zinc/76/90/17/587769017.db2.gz VFDQHWNUIZGTQC-YEZKRMTDSA-N 0 3 249.314 2.794 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1C=CCC1 ZINC000850506515 588553517 /nfs/dbraw/zinc/55/35/17/588553517.db2.gz FGWRVNHIIRXVKN-ZWNOBZJWSA-N 0 3 244.294 2.890 20 5 BFBDHN CN(Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885943757 592111612 /nfs/dbraw/zinc/11/16/12/592111612.db2.gz BVQIETZALZJEIL-UHFFFAOYSA-N 0 3 249.314 2.754 20 5 BFBDHN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C(C)(C)C1 ZINC000886029739 592135808 /nfs/dbraw/zinc/13/58/08/592135808.db2.gz AJQYFIWPTJJBEB-JTQLQIEISA-N 0 3 249.314 2.610 20 5 BFBDHN CC(C)N(Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000886048970 592140181 /nfs/dbraw/zinc/14/01/81/592140181.db2.gz CCAAVPKUTUDSAT-UHFFFAOYSA-N 0 3 249.314 2.610 20 5 BFBDHN CC[C@H](C)[C@@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000886112354 592156363 /nfs/dbraw/zinc/15/63/63/592156363.db2.gz VVBYGUDOJXDGRY-VHSXEESVSA-N 0 3 237.303 2.514 20 5 BFBDHN CN(CC[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000930699999 639865983 /nfs/dbraw/zinc/86/59/83/639865983.db2.gz MDYKLDBAKVVUQN-KGLIPLIRSA-N 0 3 248.326 2.531 20 5 BFBDHN CCC[C@](C)(NCC[N+](=O)[O-])c1ccccc1 ZINC000934180902 641095850 /nfs/dbraw/zinc/09/58/50/641095850.db2.gz XDMOYXHWVADGFK-ZDUSSCGKSA-N 0 3 236.315 2.568 20 5 BFBDHN CCCN(CC[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000929383895 646104744 /nfs/dbraw/zinc/10/47/44/646104744.db2.gz YEVRVOWFMZIDQU-AWEZNQCLSA-N 0 3 248.326 2.663 20 5 BFBDHN CC[C@@H](c1ccccc1)N(CC)CC[N+](=O)[O-] ZINC000929384477 646105365 /nfs/dbraw/zinc/10/53/65/646105365.db2.gz GEEXZXZKSRIMOC-ZDUSSCGKSA-N 0 3 236.315 2.736 20 5 BFBDHN CC(C)[C@@H]1c2ccccc2CCN1CC[N+](=O)[O-] ZINC000929840793 646352361 /nfs/dbraw/zinc/35/23/61/646352361.db2.gz HIZSUGQSDQBRRX-CQSZACIVSA-N 0 3 248.326 2.519 20 5 BFBDHN N=CNc1cc(Cl)ccc1C=C[N+](=O)[O-] ZINC001167868108 961357666 /nfs/dbraw/zinc/35/76/66/961357666.db2.gz RPSYTQRKLYXXEX-ONEGZZNKSA-N 0 3 225.635 2.606 20 5 BFBDHN Cc1cnccc1Nc1cccc([N+](=O)[O-])c1F ZINC001210378395 969880907 /nfs/dbraw/zinc/88/09/07/969880907.db2.gz GIGDFBPBUKMYLD-UHFFFAOYSA-N 0 3 247.229 2.603 20 5 BFBDHN O=[N+]([O-])c1ccc2c(c1)CN(C1CCCC1)C2 ZINC001319752896 991965390 /nfs/dbraw/zinc/96/53/90/991965390.db2.gz ODQKXZAXFXZLKN-UHFFFAOYSA-N 0 3 232.283 2.853 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1C2CCC1CC2 ZINC000602151607 349462495 /nfs/dbraw/zinc/46/24/95/349462495.db2.gz UVZSIYJQJQKBIX-UHFFFAOYSA-N 0 3 232.283 2.722 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C ZINC000183339218 178270813 /nfs/dbraw/zinc/27/08/13/178270813.db2.gz NWIGMQIFJKEMMG-NSHDSACASA-N 0 3 234.299 2.888 20 5 BFBDHN Cc1c([C@@H](C)NCCCF)cccc1[N+](=O)[O-] ZINC000126851358 342736778 /nfs/dbraw/zinc/73/67/78/342736778.db2.gz SGBLWJGPBCCHAI-SNVBAGLBSA-N 0 3 240.278 2.913 20 5 BFBDHN C[C@H]1C[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524893197 398309596 /nfs/dbraw/zinc/30/95/96/398309596.db2.gz GEJJZLVNPJTYJU-QWRGUYRKSA-N 0 3 234.299 2.825 20 5 BFBDHN CCC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689132 349679372 /nfs/dbraw/zinc/67/93/72/349679372.db2.gz RQRUDKLMTKZUGU-UHFFFAOYSA-N 0 3 248.326 2.869 20 5 BFBDHN CC1(C)CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000284251745 343922582 /nfs/dbraw/zinc/92/25/82/343922582.db2.gz IMFORMMGXZJFSR-LBPRGKRZSA-N 0 3 234.299 2.873 20 5 BFBDHN CC[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000167730134 345723193 /nfs/dbraw/zinc/72/31/93/345723193.db2.gz JDBJVQGOMLZUKI-GFCCVEGCSA-N 0 3 234.299 2.969 20 5 BFBDHN O=[N+]([O-])c1cccc(CNCC2=CCCC2)c1 ZINC000401177071 346384185 /nfs/dbraw/zinc/38/41/85/346384185.db2.gz WQPPTLVLGCDJQR-UHFFFAOYSA-N 0 3 232.283 2.795 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@]23C[C@H]2CCC3)c1 ZINC000594953439 348148507 /nfs/dbraw/zinc/14/85/07/348148507.db2.gz STCWUKWJLKZKGK-DGCLKSJQSA-N 0 3 232.283 2.627 20 5 BFBDHN CC(C)(F)CCNCc1ccccc1[N+](=O)[O-] ZINC000594973838 348162892 /nfs/dbraw/zinc/16/28/92/348162892.db2.gz WDQBMXDMUQUXAS-UHFFFAOYSA-N 0 3 240.278 2.823 20 5 BFBDHN CC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000042975947 348985353 /nfs/dbraw/zinc/98/53/53/348985353.db2.gz HQZAHEAMTLVLHT-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN CCN(Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000047923733 356362598 /nfs/dbraw/zinc/36/25/98/356362598.db2.gz LNZXTMXNKRWBSG-UHFFFAOYSA-N 0 3 234.299 2.888 20 5 BFBDHN O=[N+]([O-])c1ccc(CCNCc2ccco2)cc1 ZINC000035677677 358087822 /nfs/dbraw/zinc/08/78/22/358087822.db2.gz MZEHCUPCUKLZIW-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN Cc1ccc(CN[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000044370979 358548310 /nfs/dbraw/zinc/54/83/10/358548310.db2.gz QNQBCSDOHBZZMO-GFCCVEGCSA-N 0 3 234.299 2.791 20 5 BFBDHN O=[N+]([O-])c1ccccc1CNCC1(C2CC2)CC1 ZINC000130678659 364011425 /nfs/dbraw/zinc/01/14/25/364011425.db2.gz MTWBRZKKOWUSFE-UHFFFAOYSA-N 0 3 246.310 2.875 20 5 BFBDHN O=[N+]([O-])c1cc(CNCC2CCC2)cs1 ZINC000037472350 364053875 /nfs/dbraw/zinc/05/38/75/364053875.db2.gz FRBCQZMXESTHFU-UHFFFAOYSA-N 0 3 226.301 2.546 20 5 BFBDHN C[C@@H]1C[C@@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853499 365385607 /nfs/dbraw/zinc/38/56/07/365385607.db2.gz NMCFIBROVCFNDS-ZYHUDNBSSA-N 0 3 246.310 2.609 20 5 BFBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1(C)CC1 ZINC000579788029 367005918 /nfs/dbraw/zinc/00/59/18/367005918.db2.gz JFAWULSWOKGBCX-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN C[C@H](CC1CC1)NCc1csc([N+](=O)[O-])c1 ZINC000069662953 370970118 /nfs/dbraw/zinc/97/01/18/370970118.db2.gz FENNBYZCDMRPOI-MRVPVSSYSA-N 0 3 240.328 2.935 20 5 BFBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000602516008 371817186 /nfs/dbraw/zinc/81/71/86/371817186.db2.gz GAHBONVCEVUOAB-LMKPVCQUSA-N 0 3 246.310 2.731 20 5 BFBDHN CCC[C@@H](C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337310673 169367559 /nfs/dbraw/zinc/36/75/59/169367559.db2.gz BEFNBHDVOWPZIJ-SNVBAGLBSA-N 0 3 249.314 2.537 20 5 BFBDHN CSCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000070184425 384464522 /nfs/dbraw/zinc/46/45/22/384464522.db2.gz PFLHRKLMCFLXCZ-VIFPVBQESA-N 0 3 240.328 2.608 20 5 BFBDHN CC[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000340676946 384530188 /nfs/dbraw/zinc/53/01/88/384530188.db2.gz KHXOCRLVMPIYOF-LBPRGKRZSA-N 0 3 234.299 2.969 20 5 BFBDHN Cc1ccc([C@H](C)NCCCF)cc1[N+](=O)[O-] ZINC000126952966 384843764 /nfs/dbraw/zinc/84/37/64/384843764.db2.gz DRIKWICEDKUFFI-JTQLQIEISA-N 0 3 240.278 2.913 20 5 BFBDHN O=[N+]([O-])c1cc(CNC2(C3CC3)CC2)cs1 ZINC000309522580 387818207 /nfs/dbraw/zinc/81/82/07/387818207.db2.gz UIDVYDYPXXTZEY-UHFFFAOYSA-N 0 3 238.312 2.689 20 5 BFBDHN CC[C@@H](NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000036721043 388257702 /nfs/dbraw/zinc/25/77/02/388257702.db2.gz LRSTUCOYOLDCJB-GFCCVEGCSA-N 0 3 220.272 2.798 20 5 BFBDHN CC[C@@H](C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548783657 388369368 /nfs/dbraw/zinc/36/93/68/388369368.db2.gz OMWVYGXWUOKXPK-SNVBAGLBSA-N 0 3 234.299 2.751 20 5 BFBDHN Cc1c(CN2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000174419497 388440564 /nfs/dbraw/zinc/44/05/64/388440564.db2.gz QMBRMWWDKFNDRN-JTQLQIEISA-N 0 3 234.299 2.888 20 5 BFBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000193062958 388629361 /nfs/dbraw/zinc/62/93/61/388629361.db2.gz YDXLHJFQXYHYKB-UHFFFAOYSA-N 0 3 222.288 2.825 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H]2CCC[C@H]21 ZINC000426455012 388710848 /nfs/dbraw/zinc/71/08/48/388710848.db2.gz SAVZFWBSWSVFEP-DGCLKSJQSA-N 0 3 246.310 2.969 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2C2CC2)c1 ZINC000377541435 388726357 /nfs/dbraw/zinc/72/63/57/388726357.db2.gz CXMWTMLHLAKNAJ-CQSZACIVSA-N 0 3 246.310 2.969 20 5 BFBDHN CC[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000125514349 388788729 /nfs/dbraw/zinc/78/87/29/388788729.db2.gz HOBWOHCODGBAJD-NSHDSACASA-N 0 3 234.299 2.827 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CC[C@H](F)C2)c1 ZINC000342290411 135256735 /nfs/dbraw/zinc/25/67/35/135256735.db2.gz CXOQPURIMNTTFP-WDEREUQCSA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](F)C2)cc1 ZINC000342311254 135258953 /nfs/dbraw/zinc/25/89/53/135258953.db2.gz VXHMRNYTEIWUAJ-MNOVXSKESA-N 0 3 238.262 2.575 20 5 BFBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000111296385 397907694 /nfs/dbraw/zinc/90/76/94/397907694.db2.gz SXMYQLQBHZGVDD-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN C[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000076117772 176110630 /nfs/dbraw/zinc/11/06/30/176110630.db2.gz NAAYRAVKAKRNEZ-SNVBAGLBSA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C)C1 ZINC000299569535 177169682 /nfs/dbraw/zinc/16/96/82/177169682.db2.gz BJVTXEZQVTVLGH-QWRGUYRKSA-N 0 3 234.299 2.998 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C)C1 ZINC000266555439 177170217 /nfs/dbraw/zinc/17/02/17/177170217.db2.gz VRRZVOQMWNXRKG-WDEREUQCSA-N 0 3 234.299 2.998 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@H]2C[C@H]21 ZINC000408510149 323047076 /nfs/dbraw/zinc/04/70/76/323047076.db2.gz GPNPJPZVHDGGEE-UHTWSYAYSA-N 0 3 246.310 2.873 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CCN(CC1CCC1)C2 ZINC000534512047 323153031 /nfs/dbraw/zinc/15/30/31/323153031.db2.gz MHSLHGHKYQHUHJ-UHFFFAOYSA-N 0 3 246.310 2.753 20 5 BFBDHN O=[N+]([O-])c1ccc(CNC2(C3CC3)CC2)cc1 ZINC000537310279 324063724 /nfs/dbraw/zinc/06/37/24/324063724.db2.gz DBZFYVLUQDORRS-UHFFFAOYSA-N 0 3 232.283 2.627 20 5 BFBDHN Cc1c(CN[C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000829346383 582857097 /nfs/dbraw/zinc/85/70/97/582857097.db2.gz BAAFQELSJPGGMS-GFCCVEGCSA-N 0 3 232.283 2.711 20 5 BFBDHN CCN(C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876559687 584886159 /nfs/dbraw/zinc/88/61/59/584886159.db2.gz AFKCOTOQVYEPIG-UHFFFAOYSA-N 0 3 222.288 2.663 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[C@H]21 ZINC000761088388 585407773 /nfs/dbraw/zinc/40/77/73/585407773.db2.gz GKLITSRXRNRGRC-SUZMYJTESA-N 0 3 232.283 2.750 20 5 BFBDHN CCCC[C@H](CC)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813110056 586593043 /nfs/dbraw/zinc/59/30/43/586593043.db2.gz ZCGHVDLTGARTKN-MNOVXSKESA-N 0 3 245.319 2.801 20 5 BFBDHN CCCCCC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110114 586593067 /nfs/dbraw/zinc/59/30/67/586593067.db2.gz ZPFYWFONWDZTLS-MNOVXSKESA-N 0 3 245.319 2.801 20 5 BFBDHN CCCC[C@H](CC)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813110058 586593081 /nfs/dbraw/zinc/59/30/81/586593081.db2.gz ZCGHVDLTGARTKN-QWRGUYRKSA-N 0 3 245.319 2.801 20 5 BFBDHN C[C@@H](N[C@@H]1C=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850507494 588553472 /nfs/dbraw/zinc/55/34/72/588553472.db2.gz FOLHKOYXBMLECQ-MWLCHTKSSA-N 0 3 247.298 2.546 20 5 BFBDHN C/C=C\CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873148766 589986926 /nfs/dbraw/zinc/98/69/26/589986926.db2.gz PMOHABFFZKYKEI-PLNGDYQASA-N 0 3 234.299 2.877 20 5 BFBDHN C[C@@H](NC[C@@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000877827702 590429408 /nfs/dbraw/zinc/42/94/08/590429408.db2.gz KJIXIRPILBEPEG-MXWKQRLJSA-N 0 3 234.299 2.901 20 5 BFBDHN Cc1ccc(CN2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000879009416 590677610 /nfs/dbraw/zinc/67/76/10/590677610.db2.gz XKOSMLBMSTUEBO-UHFFFAOYSA-N 0 3 246.310 2.888 20 5 BFBDHN O=[N+]([O-])c1ccccc1CCNCc1ccoc1 ZINC000135228613 591998242 /nfs/dbraw/zinc/99/82/42/591998242.db2.gz UDQKHIHYBUOZGL-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN CC1(C)CCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886157483 592165203 /nfs/dbraw/zinc/16/52/03/592165203.db2.gz BZKMKHSRSYARLK-LLVKDONJSA-N 0 3 249.314 2.658 20 5 BFBDHN CC[C@H]1CCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886170095 592168642 /nfs/dbraw/zinc/16/86/42/592168642.db2.gz PHJMUYVRXSBERR-JQWIXIFHSA-N 0 3 249.314 2.658 20 5 BFBDHN C[C@@H]1CCC(C)(C)N1Cc1cccnc1[N+](=O)[O-] ZINC000886239082 592183075 /nfs/dbraw/zinc/18/30/75/592183075.db2.gz OZFDOLCJFHGJDH-SNVBAGLBSA-N 0 3 249.314 2.753 20 5 BFBDHN CC(C)CC1(NCc2cccnc2[N+](=O)[O-])CC1 ZINC000886285830 592199993 /nfs/dbraw/zinc/19/99/93/592199993.db2.gz SZUDJMBVNJOIAJ-UHFFFAOYSA-N 0 3 249.314 2.658 20 5 BFBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@@H]2C1 ZINC000886327402 592209441 /nfs/dbraw/zinc/20/94/41/592209441.db2.gz IJHHIRIHNDICNJ-ZMLRMANQSA-N 0 3 232.283 2.608 20 5 BFBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)C1(C)CC1 ZINC000309735235 632662276 /nfs/dbraw/zinc/66/22/76/632662276.db2.gz CDNIFNZISZVLIM-QMMMGPOBSA-N 0 3 240.328 2.935 20 5 BFBDHN CC(C)[C@H]1N(CC[N+](=O)[O-])CC12CCCCC2 ZINC000899887484 637149403 /nfs/dbraw/zinc/14/94/03/637149403.db2.gz UDBIRYCDUCKYSX-GFCCVEGCSA-N 0 3 240.347 2.554 20 5 BFBDHN CC(C)N(CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000930537866 639805615 /nfs/dbraw/zinc/80/56/15/639805615.db2.gz HJWGAXQXKGKMBL-GFCCVEGCSA-N 0 3 236.315 2.735 20 5 BFBDHN C/C=C/CNCc1cccc([N+](=O)[O-])c1C ZINC000232464888 641286365 /nfs/dbraw/zinc/28/63/65/641286365.db2.gz KTIZXGNBMGLCLH-ONEGZZNKSA-N 0 3 220.272 2.569 20 5 BFBDHN O=[N+]([O-])CCN1CCCCC[C@H]1c1ccccc1 ZINC000929289889 646065022 /nfs/dbraw/zinc/06/50/22/646065022.db2.gz IOFDQEQAVUEUAK-AWEZNQCLSA-N 0 3 248.326 2.880 20 5 BFBDHN CC(C)[C@H]1c2ccccc2CCN1CC[N+](=O)[O-] ZINC000929840791 646352316 /nfs/dbraw/zinc/35/23/16/646352316.db2.gz HIZSUGQSDQBRRX-AWEZNQCLSA-N 0 3 248.326 2.519 20 5 BFBDHN C[C@@H](N[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000698324478 968226352 /nfs/dbraw/zinc/22/63/52/968226352.db2.gz AFXGESJIFNVURE-ZYHUDNBSSA-N 0 3 232.283 2.964 20 5 BFBDHN CC[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC001473403215 983882883 /nfs/dbraw/zinc/88/28/83/983882883.db2.gz SLSQXGYXMYNKDP-WDEREUQCSA-N 0 3 249.314 2.610 20 5 BFBDHN Cc1ccc([N+](=O)[O-])c(SCCN(C)C)c1 ZINC001559140029 991043156 /nfs/dbraw/zinc/04/31/56/991043156.db2.gz VBGCEZRZAKMYSP-UHFFFAOYSA-N 0 3 240.328 2.557 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C(C)C ZINC000183227768 178271911 /nfs/dbraw/zinc/27/19/11/178271911.db2.gz IWXHLYKPSTZGOL-UHFFFAOYSA-N 0 3 222.288 2.743 20 5 BFBDHN CC1(C)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000076015364 344020728 /nfs/dbraw/zinc/02/07/28/344020728.db2.gz LSPOOOLSDQLQGP-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN C[C@H]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000610133470 343660037 /nfs/dbraw/zinc/66/00/37/343660037.db2.gz RRPZRJYNCITLPK-QWRGUYRKSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@@H]1C[C@H](C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000610133471 343662754 /nfs/dbraw/zinc/66/27/54/343662754.db2.gz RRPZRJYNCITLPK-WDEREUQCSA-N 0 3 234.299 2.825 20 5 BFBDHN Cc1ccc(CN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092471342 344296962 /nfs/dbraw/zinc/29/69/62/344296962.db2.gz REGHANLTBKOOCG-SNVBAGLBSA-N 0 3 234.299 2.745 20 5 BFBDHN Cc1c(CN2CC[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595808582 348348759 /nfs/dbraw/zinc/34/87/59/348348759.db2.gz OCSKISLPAJGHFC-DGCLKSJQSA-N 0 3 246.310 2.745 20 5 BFBDHN CC12CC(C1)CN2Cc1ccc([N+](=O)[O-])cc1 ZINC000595915770 348400552 /nfs/dbraw/zinc/40/05/52/348400552.db2.gz NIVCMOCIIRESDA-UHFFFAOYSA-N 0 3 232.283 2.579 20 5 BFBDHN CC(C)=CCNCc1cccc([N+](=O)[O-])c1 ZINC000191625977 538040201 /nfs/dbraw/zinc/04/02/01/538040201.db2.gz PDWGJQUHDYSTIP-UHFFFAOYSA-N 0 3 220.272 2.651 20 5 BFBDHN CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094774239 362981769 /nfs/dbraw/zinc/98/17/69/362981769.db2.gz UESBAFPUWZETGX-UHFFFAOYSA-N 0 3 240.278 2.964 20 5 BFBDHN O=[N+]([O-])c1cccc(CNCCc2ccco2)c1 ZINC000035121603 355835031 /nfs/dbraw/zinc/83/50/31/355835031.db2.gz BMGOTONBGUTLAH-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000582736971 357377536 /nfs/dbraw/zinc/37/75/36/357377536.db2.gz MTQATXOMZHNXOK-BTTYYORXSA-N 0 3 246.310 2.791 20 5 BFBDHN CC(C)[C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000077897092 370492898 /nfs/dbraw/zinc/49/28/98/370492898.db2.gz XIRLJTJXODITNT-LLVKDONJSA-N 0 3 236.315 2.977 20 5 BFBDHN O=[N+]([O-])c1cc(CNCCCC2CC2)cs1 ZINC000124951988 371259259 /nfs/dbraw/zinc/25/92/59/371259259.db2.gz KKTACTHTVJDJKS-UHFFFAOYSA-N 0 3 240.328 2.936 20 5 BFBDHN CC[C@@H](C)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131352278 371593901 /nfs/dbraw/zinc/59/39/01/371593901.db2.gz GPOLQFWISAPDDU-LLVKDONJSA-N 0 3 248.326 2.999 20 5 BFBDHN CC1(C)C[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000226254803 134362089 /nfs/dbraw/zinc/36/20/89/134362089.db2.gz CMUKTDODMTZSRS-SECBINFHSA-N 0 3 240.328 2.792 20 5 BFBDHN CCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000165467970 384111646 /nfs/dbraw/zinc/11/16/46/384111646.db2.gz IZZHJEBJACJGDX-UHFFFAOYSA-N 0 3 240.328 2.936 20 5 BFBDHN C[C@H](NCCCCF)c1ccccc1[N+](=O)[O-] ZINC000285600767 384140880 /nfs/dbraw/zinc/14/08/80/384140880.db2.gz LISKVKAQIGGHMO-JTQLQIEISA-N 0 3 240.278 2.995 20 5 BFBDHN C[C@@H](NCCCCF)c1ccccc1[N+](=O)[O-] ZINC000285600776 384141004 /nfs/dbraw/zinc/14/10/04/384141004.db2.gz LISKVKAQIGGHMO-SNVBAGLBSA-N 0 3 240.278 2.995 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@@H]2CC[C@@H](F)C2)cs1 ZINC000309489103 384533011 /nfs/dbraw/zinc/53/30/11/384533011.db2.gz HTAYSZABSTZUCI-RKDXNWHRSA-N 0 3 244.291 2.637 20 5 BFBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC1CCC1 ZINC000082829138 384576015 /nfs/dbraw/zinc/57/60/15/384576015.db2.gz PYFAZGLNQABLPA-UHFFFAOYSA-N 0 3 240.690 2.890 20 5 BFBDHN CCCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047703422 384673801 /nfs/dbraw/zinc/67/38/01/384673801.db2.gz LGCQPDCBWPNGOK-SNVBAGLBSA-N 0 3 222.288 2.998 20 5 BFBDHN Cc1c(CN2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000263772592 385137391 /nfs/dbraw/zinc/13/73/91/385137391.db2.gz WTNVFOSIKDNBKY-JTQLQIEISA-N 0 3 234.299 2.745 20 5 BFBDHN CC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000309355028 385548028 /nfs/dbraw/zinc/54/80/28/385548028.db2.gz CGSOYLAOGZSCEY-MRVPVSSYSA-N 0 3 226.251 2.622 20 5 BFBDHN CCCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332703049 385904278 /nfs/dbraw/zinc/90/42/78/385904278.db2.gz MWNUKGIFZCYHIL-UHFFFAOYSA-N 0 3 249.314 2.538 20 5 BFBDHN CC(F)(F)CCNCc1cccc([N+](=O)[O-])c1 ZINC000294276772 385979051 /nfs/dbraw/zinc/97/90/51/385979051.db2.gz SJYINHYMQWWGJM-UHFFFAOYSA-N 0 3 244.241 2.730 20 5 BFBDHN CCN(CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183222325 386361890 /nfs/dbraw/zinc/36/18/90/386361890.db2.gz IQALYKSWHJYXCZ-UHFFFAOYSA-N 0 3 222.288 2.745 20 5 BFBDHN Cc1ccc(CNCC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000339493449 386446441 /nfs/dbraw/zinc/44/64/41/386446441.db2.gz HLZYIMQCCHPAMA-SNVBAGLBSA-N 0 3 240.278 2.741 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000152625266 387344057 /nfs/dbraw/zinc/34/40/57/387344057.db2.gz PNUAWPYJJGIXCA-CHWSQXEVSA-N 0 3 246.310 2.827 20 5 BFBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774371 388393718 /nfs/dbraw/zinc/39/37/18/388393718.db2.gz PRDJEZBOYIJKPO-UHFFFAOYSA-N 0 3 238.262 2.576 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000153022182 388395382 /nfs/dbraw/zinc/39/53/82/388395382.db2.gz FZFCAXAQFJBPBS-VXGBXAGGSA-N 0 3 246.310 2.827 20 5 BFBDHN O=[N+]([O-])c1cccc(CN(CC2CC2)C2CC2)c1 ZINC000076348673 388399070 /nfs/dbraw/zinc/39/90/70/388399070.db2.gz RPMGVJGFIVCVKM-UHFFFAOYSA-N 0 3 246.310 2.969 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CC12CC2 ZINC000424181554 388695269 /nfs/dbraw/zinc/69/52/69/388695269.db2.gz CGCDOYMRIKKTDC-DXTPNHAXSA-N 0 3 244.294 2.750 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2CCC3(CC3)CC2)cc1 ZINC000371341138 388697121 /nfs/dbraw/zinc/69/71/21/388697121.db2.gz LTPNPPULCPYRKG-UHFFFAOYSA-N 0 3 246.310 2.971 20 5 BFBDHN CC[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000068450380 388712410 /nfs/dbraw/zinc/71/24/10/388712410.db2.gz VXYXKZRGDKJUQL-SNVBAGLBSA-N 0 3 222.288 2.825 20 5 BFBDHN CN(CCCCF)Cc1ccccc1[N+](=O)[O-] ZINC000285045623 388834034 /nfs/dbraw/zinc/83/40/34/388834034.db2.gz CKCNFICHQVQDKB-UHFFFAOYSA-N 0 3 240.278 2.776 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CCN(C1CCCC1)C2 ZINC000093443816 388839237 /nfs/dbraw/zinc/83/92/37/388839237.db2.gz WSOLFENYIUELEQ-UHFFFAOYSA-N 0 3 246.310 2.896 20 5 BFBDHN CC(C)CCNCc1csc([N+](=O)[O-])c1 ZINC000037472324 388870044 /nfs/dbraw/zinc/87/00/44/388870044.db2.gz FASDKHHVPASAIA-UHFFFAOYSA-N 0 3 228.317 2.792 20 5 BFBDHN CC[C@H](C)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153382376 388967043 /nfs/dbraw/zinc/96/70/43/388967043.db2.gz SQSSCEYJSPIITO-NSHDSACASA-N 0 3 248.326 2.999 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC[C@H](F)C1 ZINC000342279268 135255712 /nfs/dbraw/zinc/25/57/12/135255712.db2.gz DFKPYDOBDFKFKE-WDEREUQCSA-N 0 3 238.262 2.575 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@@H](F)C2)cc1 ZINC000342311253 135258634 /nfs/dbraw/zinc/25/86/34/135258634.db2.gz VXHMRNYTEIWUAJ-GHMZBOCLSA-N 0 3 238.262 2.575 20 5 BFBDHN CC[C@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000310361924 171285619 /nfs/dbraw/zinc/28/56/19/171285619.db2.gz TXUYPBRHWGOCEW-VIFPVBQESA-N 0 3 240.278 2.870 20 5 BFBDHN CC[C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000050015559 171286016 /nfs/dbraw/zinc/28/60/16/171286016.db2.gz AYYFEDFHLVBAHQ-JTQLQIEISA-N 0 3 222.288 2.731 20 5 BFBDHN C[C@@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000080460296 176213407 /nfs/dbraw/zinc/21/34/07/176213407.db2.gz XARYTWIRXXTDDW-ZYHUDNBSSA-N 0 3 234.299 2.873 20 5 BFBDHN C[C@@H]1CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000309051155 176217690 /nfs/dbraw/zinc/21/76/90/176217690.db2.gz PVWHUTYMSIMKNL-APPZFPTMSA-N 0 3 226.301 2.544 20 5 BFBDHN C[C@@H](F)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340462825 176852022 /nfs/dbraw/zinc/85/20/22/176852022.db2.gz PYKQWXXXOOFUJX-ZJUUUORDSA-N 0 3 240.278 2.994 20 5 BFBDHN C[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000042975701 177077697 /nfs/dbraw/zinc/07/76/97/177077697.db2.gz OPCPVIGJIWJVIO-NSHDSACASA-N 0 3 234.299 2.969 20 5 BFBDHN C[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000076117773 177110700 /nfs/dbraw/zinc/11/07/00/177110700.db2.gz NAAYRAVKAKRNEZ-JTQLQIEISA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000174410894 177110933 /nfs/dbraw/zinc/11/09/33/177110933.db2.gz NPBZOQQPZMWRHD-JTQLQIEISA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@H]1CCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000070827907 177126817 /nfs/dbraw/zinc/12/68/17/177126817.db2.gz JUAAPYNUZLTWCL-WPRPVWTQSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000352733515 177156890 /nfs/dbraw/zinc/15/68/90/177156890.db2.gz RYCXRXRATGYMNT-RNZFLTOJSA-N 0 3 246.310 2.950 20 5 BFBDHN C[C@H]1C[C@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000488348391 225380739 /nfs/dbraw/zinc/38/07/39/225380739.db2.gz MJNKDAGULOQOLX-JQWIXIFHSA-N 0 3 234.299 2.683 20 5 BFBDHN CCC[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835454289 584925990 /nfs/dbraw/zinc/92/59/90/584925990.db2.gz IOJYMAINRZSWBE-WDEREUQCSA-N 0 3 245.319 2.657 20 5 BFBDHN CCCCCC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110112 586593207 /nfs/dbraw/zinc/59/32/07/586593207.db2.gz ZPFYWFONWDZTLS-GHMZBOCLSA-N 0 3 245.319 2.801 20 5 BFBDHN CC[C@H]1C[C@@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886027046 592135622 /nfs/dbraw/zinc/13/56/22/592135622.db2.gz BPGHVJFCUMJDKH-PWSUYJOCSA-N 0 3 249.314 2.610 20 5 BFBDHN C[C@H]1CCCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886127158 592159083 /nfs/dbraw/zinc/15/90/83/592159083.db2.gz CQYHIEDCBZIBSU-JQWIXIFHSA-N 0 3 249.314 2.658 20 5 BFBDHN CC[C@H]1CCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886170094 592168923 /nfs/dbraw/zinc/16/89/23/592168923.db2.gz PHJMUYVRXSBERR-CMPLNLGQSA-N 0 3 249.314 2.658 20 5 BFBDHN C[C@H]1CCC(C)(C)N1Cc1cccnc1[N+](=O)[O-] ZINC000886239081 592183023 /nfs/dbraw/zinc/18/30/23/592183023.db2.gz OZFDOLCJFHGJDH-JTQLQIEISA-N 0 3 249.314 2.753 20 5 BFBDHN C[C@H]1CCCc2ccccc2[C@H]1NCC[N+](=O)[O-] ZINC000905211724 637698442 /nfs/dbraw/zinc/69/84/42/637698442.db2.gz FKIVAUBUJGRBQX-FZMZJTMJSA-N 0 3 248.326 2.566 20 5 BFBDHN CN(CC[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000930700002 639866136 /nfs/dbraw/zinc/86/61/36/639866136.db2.gz MDYKLDBAKVVUQN-ZIAGYGMSSA-N 0 3 248.326 2.531 20 5 BFBDHN Cc1cccc([C@@H](NCC[N+](=O)[O-])C(C)C)c1 ZINC000931257633 640118683 /nfs/dbraw/zinc/11/86/83/640118683.db2.gz SBWZZYPZQVBLJP-ZDUSSCGKSA-N 0 3 236.315 2.558 20 5 BFBDHN CC(C)[C@H](c1ccccc1)N(C)CC[N+](=O)[O-] ZINC000929632182 646213078 /nfs/dbraw/zinc/21/30/78/646213078.db2.gz WFYSVDWDXUMCHY-CYBMUJFWSA-N 0 3 236.315 2.592 20 5 BFBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]1C ZINC001254552034 969738783 /nfs/dbraw/zinc/73/87/83/969738783.db2.gz IFRLWNJYDGZTLT-WDEREUQCSA-N 0 3 234.299 2.620 20 5 BFBDHN Cc1cnccc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211189143 970168503 /nfs/dbraw/zinc/16/85/03/970168503.db2.gz RUNPIUYJRJRGKR-UHFFFAOYSA-N 0 3 247.229 2.603 20 5 BFBDHN C[C@@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133320 343663258 /nfs/dbraw/zinc/66/32/58/343663258.db2.gz DHMOOQQSPFWUCR-MNOVXSKESA-N 0 3 234.299 2.825 20 5 BFBDHN CC/C=C\CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000395251250 344132757 /nfs/dbraw/zinc/13/27/57/344132757.db2.gz SWPDVZMWMLRIGH-PLNGDYQASA-N 0 3 234.299 2.959 20 5 BFBDHN CC1(NCc2csc([N+](=O)[O-])c2)CC=CC1 ZINC000594509711 348064870 /nfs/dbraw/zinc/06/48/70/348064870.db2.gz LFSDBXAOFCJPPE-UHFFFAOYSA-N 0 3 238.312 2.855 20 5 BFBDHN CC[C@@H](C)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595363490 348230544 /nfs/dbraw/zinc/23/05/44/348230544.db2.gz DMFFCJGQEHDAMT-SECBINFHSA-N 0 3 240.278 2.964 20 5 BFBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000595556876 348279844 /nfs/dbraw/zinc/27/98/44/348279844.db2.gz GPFHUDDRFLSJDU-UHFFFAOYSA-N 0 3 240.278 2.964 20 5 BFBDHN CC12CC(C1)CN2Cc1cccc([N+](=O)[O-])c1 ZINC000595914557 348399901 /nfs/dbraw/zinc/39/99/01/348399901.db2.gz BULMODMSKLSSQZ-UHFFFAOYSA-N 0 3 232.283 2.579 20 5 BFBDHN C/C=C\CNCc1ccc([N+](=O)[O-])cc1C ZINC000599005237 349074827 /nfs/dbraw/zinc/07/48/27/349074827.db2.gz NSOHHFHHLWLLAR-ARJAWSKDSA-N 0 3 220.272 2.569 20 5 BFBDHN CCN(CC)Cc1cccc([N+](=O)[O-])c1C ZINC000051589466 350753909 /nfs/dbraw/zinc/75/39/09/350753909.db2.gz FHPMCTVOSLPRIE-UHFFFAOYSA-N 0 3 222.288 2.745 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2C[C@@H]2C1 ZINC000600193127 351421495 /nfs/dbraw/zinc/42/14/95/351421495.db2.gz VOIYFJSHUKNWNO-AYKMPCHXSA-N 0 3 244.294 2.560 20 5 BFBDHN CC/C=C\CNCc1cccc([N+](=O)[O-])c1 ZINC000385045285 356875014 /nfs/dbraw/zinc/87/50/14/356875014.db2.gz RVMABMKUZJAOQT-ARJAWSKDSA-N 0 3 220.272 2.651 20 5 BFBDHN C[C@@H]1C[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000610133469 357222119 /nfs/dbraw/zinc/22/21/19/357222119.db2.gz RRPZRJYNCITLPK-MNOVXSKESA-N 0 3 234.299 2.825 20 5 BFBDHN O=[N+]([O-])c1ccc(N2CCc3cnccc32)cc1 ZINC000180441618 366454110 /nfs/dbraw/zinc/45/41/10/366454110.db2.gz HAYWESOILCFOSO-UHFFFAOYSA-N 0 3 241.250 2.684 20 5 BFBDHN CC(C)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000065684165 368626623 /nfs/dbraw/zinc/62/66/23/368626623.db2.gz AHFWRELBIGNGDK-UHFFFAOYSA-N 0 3 222.288 2.683 20 5 BFBDHN CCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072583655 368773977 /nfs/dbraw/zinc/77/39/77/368773977.db2.gz UFFAYVFNJACYKY-SNVBAGLBSA-N 0 3 222.288 2.998 20 5 BFBDHN CC[C@H](C)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131352441 371594064 /nfs/dbraw/zinc/59/40/64/371594064.db2.gz GPOLQFWISAPDDU-NSHDSACASA-N 0 3 248.326 2.999 20 5 BFBDHN C[C@H]1C[C@@H]1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351415667 371631337 /nfs/dbraw/zinc/63/13/37/371631337.db2.gz OPFJKWKNLFZJDX-CMPLNLGQSA-N 0 3 246.310 2.609 20 5 BFBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H]2C2CC2)cc1 ZINC000602677467 371830230 /nfs/dbraw/zinc/83/02/30/371830230.db2.gz HYWGXSMDUKGEAJ-AWEZNQCLSA-N 0 3 246.310 2.622 20 5 BFBDHN CCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525879 169287364 /nfs/dbraw/zinc/28/73/64/169287364.db2.gz IKAOZTKDOAJHJV-SECBINFHSA-N 0 3 208.261 2.655 20 5 BFBDHN CC1(C)CC(NCc2cccc([N+](=O)[O-])c2)C1 ZINC000395163844 384485270 /nfs/dbraw/zinc/48/52/70/384485270.db2.gz BERHMPPJYPEJHW-UHFFFAOYSA-N 0 3 234.299 2.873 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000337641555 384556924 /nfs/dbraw/zinc/55/69/24/384556924.db2.gz GPNPJPZVHDGGEE-KGYLQXTDSA-N 0 3 246.310 2.873 20 5 BFBDHN C[C@H](F)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340465092 385233826 /nfs/dbraw/zinc/23/38/26/385233826.db2.gz UXCWAECKXDSODN-UWVGGRQHSA-N 0 3 240.278 2.994 20 5 BFBDHN O=[N+]([O-])c1ccccc1CNC1(C2CC2)CC1 ZINC000541596134 385468927 /nfs/dbraw/zinc/46/89/27/385468927.db2.gz IRPOMJILYZCZHN-UHFFFAOYSA-N 0 3 232.283 2.627 20 5 BFBDHN CC[C@H]1CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000292320535 385650395 /nfs/dbraw/zinc/65/03/95/385650395.db2.gz FHJSGBUMRACIKQ-LBPRGKRZSA-N 0 3 234.299 2.622 20 5 BFBDHN CC[C@H]1CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000292333048 385654908 /nfs/dbraw/zinc/65/49/08/385654908.db2.gz GEJNTZIFAGCQLK-NSHDSACASA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000322008240 385910824 /nfs/dbraw/zinc/91/08/24/385910824.db2.gz IDTVLUZHKVZFPC-JFGNBEQYSA-N 0 3 234.299 2.729 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C=CCCC2)cc1 ZINC000151173961 386597795 /nfs/dbraw/zinc/59/77/95/386597795.db2.gz YKTQPVODTQFBIS-GFCCVEGCSA-N 0 3 232.283 2.793 20 5 BFBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1CC1)CCC2 ZINC000192590030 387204940 /nfs/dbraw/zinc/20/49/40/387204940.db2.gz LQDWJCVIFCLUAD-ZDUSSCGKSA-N 0 3 232.283 2.724 20 5 BFBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000173913796 388431905 /nfs/dbraw/zinc/43/19/05/388431905.db2.gz YCCAZUUWXIMWSF-UHFFFAOYSA-N 0 3 220.272 2.579 20 5 BFBDHN Cc1ccc(CN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000124320389 388745731 /nfs/dbraw/zinc/74/57/31/388745731.db2.gz UNIFURFBLHQVCY-NSHDSACASA-N 0 3 234.299 2.888 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1[C@H](C)C[C@@H]1C ZINC000527238707 388697261 /nfs/dbraw/zinc/69/72/61/388697261.db2.gz QBQDUENFBVTBCF-PHIMTYICSA-N 0 3 234.299 2.886 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CCC2(CCC2)C1 ZINC000123612512 388733895 /nfs/dbraw/zinc/73/38/95/388733895.db2.gz MTNWQNDBFVZBQM-UHFFFAOYSA-N 0 3 246.310 2.971 20 5 BFBDHN CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000228444002 170172124 /nfs/dbraw/zinc/17/21/24/170172124.db2.gz ICBWYJWMCODIGW-UHFFFAOYSA-N 0 3 231.255 2.883 20 5 BFBDHN CC[C@@H]1CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000292333043 171025101 /nfs/dbraw/zinc/02/51/01/171025101.db2.gz GEJNTZIFAGCQLK-LLVKDONJSA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000066405602 176018845 /nfs/dbraw/zinc/01/88/45/176018845.db2.gz ALKKNZARQQAXLB-JTQLQIEISA-N 0 3 220.272 2.752 20 5 BFBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)C1 ZINC000299569529 176019043 /nfs/dbraw/zinc/01/90/43/176019043.db2.gz BJVTXEZQVTVLGH-MNOVXSKESA-N 0 3 234.299 2.998 20 5 BFBDHN C[C@@H]1CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000310263978 176217352 /nfs/dbraw/zinc/21/73/52/176217352.db2.gz IEEWJCBQPDDBGZ-PELKAZGASA-N 0 3 238.262 2.622 20 5 BFBDHN C[C@@H]1[C@@H](C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000177909720 177165367 /nfs/dbraw/zinc/16/53/67/177165367.db2.gz XDURKVFYQSCCHB-WDEREUQCSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C)C1 ZINC000266555435 177169886 /nfs/dbraw/zinc/16/98/86/177169886.db2.gz VRRZVOQMWNXRKG-QWRGUYRKSA-N 0 3 234.299 2.998 20 5 BFBDHN C[C@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000080460300 177193441 /nfs/dbraw/zinc/19/34/41/177193441.db2.gz XARYTWIRXXTDDW-CMPLNLGQSA-N 0 3 234.299 2.873 20 5 BFBDHN CCC[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835454277 584926016 /nfs/dbraw/zinc/92/60/16/584926016.db2.gz IOJYMAINRZSWBE-QWRGUYRKSA-N 0 3 245.319 2.657 20 5 BFBDHN CC(COC(=O)CCC1CCCCC1)[N+](=O)[O-] ZINC000813102385 586591859 /nfs/dbraw/zinc/59/18/59/586591859.db2.gz QUAOSUNKSKHYDH-JTQLQIEISA-N 0 3 243.303 2.555 20 5 BFBDHN C/C=C/CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862530141 589218141 /nfs/dbraw/zinc/21/81/41/589218141.db2.gz JHEBHXULHRPSPN-NSCUHMNNSA-N 0 3 240.690 2.914 20 5 BFBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCCC1 ZINC000873009301 589978903 /nfs/dbraw/zinc/97/89/03/589978903.db2.gz JJLIVJCKJIICOW-UHFFFAOYSA-N 0 3 234.299 2.807 20 5 BFBDHN Cc1c(CN[C@@H]2[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000873138031 589986508 /nfs/dbraw/zinc/98/65/08/589986508.db2.gz ARUKZSVMWQRASY-DABQJJPHSA-N 0 3 246.310 2.791 20 5 BFBDHN CC[C@@H]1CC[C@@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000886102603 592155411 /nfs/dbraw/zinc/15/54/11/592155411.db2.gz LDDVEGJRFWFSRS-ZYHUDNBSSA-N 0 3 249.314 2.753 20 5 BFBDHN CC[C@@H]1CC[C@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000886102600 592155801 /nfs/dbraw/zinc/15/58/01/592155801.db2.gz LDDVEGJRFWFSRS-CMPLNLGQSA-N 0 3 249.314 2.753 20 5 BFBDHN CC[C@H]1[C@@H](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886143303 592163030 /nfs/dbraw/zinc/16/30/30/592163030.db2.gz ZDHBUNQPVFCLFP-JQWIXIFHSA-N 0 3 249.314 2.610 20 5 BFBDHN C[C@H]1CCCc2ccccc2[C@@H]1NCC[N+](=O)[O-] ZINC000905211726 637697234 /nfs/dbraw/zinc/69/72/34/637697234.db2.gz FKIVAUBUJGRBQX-SMDDNHRTSA-N 0 3 248.326 2.566 20 5 BFBDHN Cc1ccc(CN[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000700565329 711995911 /nfs/dbraw/zinc/99/59/11/711995911.db2.gz NSABTAJJKXXNMG-LBPRGKRZSA-N 0 3 232.283 2.711 20 5 BFBDHN C[C@@H](N[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000698324477 968227472 /nfs/dbraw/zinc/22/74/72/968227472.db2.gz AFXGESJIFNVURE-PWSUYJOCSA-N 0 3 232.283 2.964 20 5 BFBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C=CCCC2)c1 ZINC000151160113 398209001 /nfs/dbraw/zinc/20/90/01/398209001.db2.gz AGUPZDZDYOEAMF-GFCCVEGCSA-N 0 3 232.283 2.793 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C1CCC1 ZINC000183353845 178270743 /nfs/dbraw/zinc/27/07/43/178270743.db2.gz FNXZZQJIQGHWBM-UHFFFAOYSA-N 0 3 234.299 2.888 20 5 BFBDHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000135457649 344408904 /nfs/dbraw/zinc/40/89/04/344408904.db2.gz KJIXIRPILBEPEG-DCAQKATOSA-N 0 3 234.299 2.901 20 5 BFBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000076110466 344794414 /nfs/dbraw/zinc/79/44/14/344794414.db2.gz GPSIBENPKSYLFT-GHMZBOCLSA-N 0 3 234.299 2.683 20 5 BFBDHN O=[N+]([O-])c1ccccc1CNCC1=CCCC1 ZINC000401157678 346331359 /nfs/dbraw/zinc/33/13/59/346331359.db2.gz NENMQAHOMPTFQO-UHFFFAOYSA-N 0 3 232.283 2.795 20 5 BFBDHN Cc1c(CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000202471197 346605616 /nfs/dbraw/zinc/60/56/16/346605616.db2.gz IQOHEGJFOFTCKP-UHFFFAOYSA-N 0 3 234.299 2.889 20 5 BFBDHN O=[N+]([O-])c1ccc(CN[C@]23C[C@H]2CCC3)cc1 ZINC000594953417 348147793 /nfs/dbraw/zinc/14/77/93/348147793.db2.gz SLYUWKYBROEEFD-DGCLKSJQSA-N 0 3 232.283 2.627 20 5 BFBDHN O=[N+]([O-])c1cc(CN[C@]23C[C@H]2CCC3)cs1 ZINC000594954018 348148491 /nfs/dbraw/zinc/14/84/91/348148491.db2.gz WBNPLHRCTLJRFE-MWLCHTKSSA-N 0 3 238.312 2.689 20 5 BFBDHN CC(C)(F)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000594973340 348162079 /nfs/dbraw/zinc/16/20/79/348162079.db2.gz QXTXKIFHFBCXDX-UHFFFAOYSA-N 0 3 240.278 2.823 20 5 BFBDHN CC1(C)C[C@@]1(C)NCc1cccc([N+](=O)[O-])c1 ZINC000594995936 348167847 /nfs/dbraw/zinc/16/78/47/348167847.db2.gz MDYZBDBYCJQKGG-CYBMUJFWSA-N 0 3 234.299 2.873 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000597224147 348694807 /nfs/dbraw/zinc/69/48/07/348694807.db2.gz YUHBNWDUQXAWRA-DGCLKSJQSA-N 0 3 246.310 2.745 20 5 BFBDHN CC1CC(CNCc2ccccc2[N+](=O)[O-])C1 ZINC000598648393 349010959 /nfs/dbraw/zinc/01/09/59/349010959.db2.gz OSNIDDGVWDVGBK-UHFFFAOYSA-N 0 3 234.299 2.731 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC1(C)C ZINC000349931446 370709922 /nfs/dbraw/zinc/70/99/22/370709922.db2.gz HRVWNKLFLOKRTF-LBPRGKRZSA-N 0 3 234.299 2.791 20 5 BFBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC1CC1 ZINC000072578677 364192037 /nfs/dbraw/zinc/19/20/37/364192037.db2.gz FNYSFOLZUWSKCI-JTQLQIEISA-N 0 3 234.299 2.998 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCCF ZINC000575136922 365218132 /nfs/dbraw/zinc/21/81/32/365218132.db2.gz NYOROWUFOSEUHN-NSHDSACASA-N 0 3 238.262 2.531 20 5 BFBDHN C[C@H]1C[C@@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575853496 365386086 /nfs/dbraw/zinc/38/60/86/365386086.db2.gz NMCFIBROVCFNDS-CMPLNLGQSA-N 0 3 246.310 2.609 20 5 BFBDHN CC(C)C1CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602645774 371826833 /nfs/dbraw/zinc/82/68/33/371826833.db2.gz ZTUWTSGMVHOUNN-UHFFFAOYSA-N 0 3 248.326 2.725 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](C3CC3)C2)cc1 ZINC000362413712 384206053 /nfs/dbraw/zinc/20/60/53/384206053.db2.gz NRBVKPYLPOBMRR-ZDUSSCGKSA-N 0 3 246.310 2.827 20 5 BFBDHN CC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000060575140 384188268 /nfs/dbraw/zinc/18/82/68/384188268.db2.gz ICIUFYOZKZPQAE-SNVBAGLBSA-N 0 3 222.288 2.825 20 5 BFBDHN C[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000310553170 384192907 /nfs/dbraw/zinc/19/29/07/384192907.db2.gz XEDUXECRLFODIN-JFGNBEQYSA-N 0 3 234.299 2.729 20 5 BFBDHN Cc1ccc([C@@H](C)NCCCF)cc1[N+](=O)[O-] ZINC000126952753 384225607 /nfs/dbraw/zinc/22/56/07/384225607.db2.gz DRIKWICEDKUFFI-SNVBAGLBSA-N 0 3 240.278 2.913 20 5 BFBDHN CCCCNCc1csc([N+](=O)[O-])c1 ZINC000037472323 384502389 /nfs/dbraw/zinc/50/23/89/384502389.db2.gz JZZOMBLRGFBNQQ-UHFFFAOYSA-N 0 3 214.290 2.546 20 5 BFBDHN CCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000294856498 385266884 /nfs/dbraw/zinc/26/68/84/385266884.db2.gz SNWSYAXBGIRNIQ-UHFFFAOYSA-N 0 3 220.272 2.627 20 5 BFBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000111296963 385502859 /nfs/dbraw/zinc/50/28/59/385502859.db2.gz VPAYZOIJVICJBV-UHFFFAOYSA-N 0 3 234.299 2.827 20 5 BFBDHN CC[C@@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337262170 386694332 /nfs/dbraw/zinc/69/43/32/386694332.db2.gz YNOWHCSTVGIXRD-SNVBAGLBSA-N 0 3 234.299 2.751 20 5 BFBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000089512546 388008171 /nfs/dbraw/zinc/00/81/71/388008171.db2.gz WVESDSBZSUHLAV-JTQLQIEISA-N 0 3 234.299 2.873 20 5 BFBDHN Cc1c(CN(C)C2CCC2)cccc1[N+](=O)[O-] ZINC000173920685 388432357 /nfs/dbraw/zinc/43/23/57/388432357.db2.gz DFJZFLLQOPIXOW-UHFFFAOYSA-N 0 3 234.299 2.888 20 5 BFBDHN Cc1ccc(CN(C)CC2CC2)cc1[N+](=O)[O-] ZINC000122904431 388588967 /nfs/dbraw/zinc/58/89/67/388588967.db2.gz OYDSYXXBNIRVFU-UHFFFAOYSA-N 0 3 234.299 2.745 20 5 BFBDHN CC(C)CCNCc1ccccc1[N+](=O)[O-] ZINC000020047108 388752834 /nfs/dbraw/zinc/75/28/34/388752834.db2.gz VREZMTNYRKEYSC-UHFFFAOYSA-N 0 3 222.288 2.731 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CC12CC2 ZINC000424181556 388694865 /nfs/dbraw/zinc/69/48/65/388694865.db2.gz CGCDOYMRIKKTDC-LQPUYASZSA-N 0 3 244.294 2.750 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1[C@H](C)C[C@H]1C ZINC000527238702 388697180 /nfs/dbraw/zinc/69/71/80/388697180.db2.gz QBQDUENFBVTBCF-GHMZBOCLSA-N 0 3 234.299 2.886 20 5 BFBDHN C[C@@H](NCCCF)c1cccc([N+](=O)[O-])c1 ZINC000126953498 397942493 /nfs/dbraw/zinc/94/24/93/397942493.db2.gz FEJWDMMHLYKHII-SECBINFHSA-N 0 3 226.251 2.605 20 5 BFBDHN CC(C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443010 167008586 /nfs/dbraw/zinc/00/85/86/167008586.db2.gz RNDIKGMAOYCJNY-UHFFFAOYSA-N 0 3 242.706 2.994 20 5 BFBDHN CC(C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963056 167009731 /nfs/dbraw/zinc/00/97/31/167009731.db2.gz PJUKOCDTRNYZGL-UHFFFAOYSA-N 0 3 242.706 2.994 20 5 BFBDHN CC1(CCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000280730284 168020946 /nfs/dbraw/zinc/02/09/46/168020946.db2.gz YVKVKNRWNGSHIS-UHFFFAOYSA-N 0 3 240.328 2.936 20 5 BFBDHN CC1=CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339660957 168113504 /nfs/dbraw/zinc/11/35/04/168113504.db2.gz RJTMSSQZEWQFMO-UHFFFAOYSA-N 0 3 246.310 2.789 20 5 BFBDHN CC1CC(NCc2csc([N+](=O)[O-])c2)C1 ZINC000128869836 168146546 /nfs/dbraw/zinc/14/65/46/168146546.db2.gz TUAUIBKSDFETBK-UHFFFAOYSA-N 0 3 226.301 2.544 20 5 BFBDHN C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000174410881 176109513 /nfs/dbraw/zinc/10/95/13/176109513.db2.gz NPBZOQQPZMWRHD-SNVBAGLBSA-N 0 3 220.272 2.579 20 5 BFBDHN C[C@H]1CC[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000123061159 177199785 /nfs/dbraw/zinc/19/97/85/177199785.db2.gz GPNXUPSVVXIUEY-QWRGUYRKSA-N 0 3 234.299 2.968 20 5 BFBDHN C[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000080460293 177205429 /nfs/dbraw/zinc/20/54/29/177205429.db2.gz XARYTWIRXXTDDW-JQWIXIFHSA-N 0 3 234.299 2.873 20 5 BFBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(C)C1 ZINC000549808562 325516472 /nfs/dbraw/zinc/51/64/72/325516472.db2.gz REGYLPAYQZEHKP-IZZDOVSWSA-N 0 3 246.310 2.950 20 5 BFBDHN CC(COC(=O)C1(C)CCCCCC1)[N+](=O)[O-] ZINC000813107798 582584505 /nfs/dbraw/zinc/58/45/05/582584505.db2.gz WUFDKITULYXQRI-JTQLQIEISA-N 0 3 243.303 2.555 20 5 BFBDHN CC(COC(=O)C1(C)CCCCCC1)[N+](=O)[O-] ZINC000813107801 582584377 /nfs/dbraw/zinc/58/43/77/582584377.db2.gz WUFDKITULYXQRI-SNVBAGLBSA-N 0 3 243.303 2.555 20 5 BFBDHN CCCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000857029226 588883016 /nfs/dbraw/zinc/88/30/16/588883016.db2.gz KWHCWNMFNAVCQW-MNOVXSKESA-N 0 3 245.319 2.657 20 5 BFBDHN CC(COC(=O)C1CCCCCCC1)[N+](=O)[O-] ZINC000813103208 586591985 /nfs/dbraw/zinc/59/19/85/586591985.db2.gz AWDMOPQXSQKVLL-SNVBAGLBSA-N 0 3 243.303 2.555 20 5 BFBDHN CC(COC(=O)C[C@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813107740 586592636 /nfs/dbraw/zinc/59/26/36/586592636.db2.gz VLWJKXOXWOAETJ-VHSXEESVSA-N 0 3 245.319 2.657 20 5 BFBDHN CC(COC(=O)C[C@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813107739 586592749 /nfs/dbraw/zinc/59/27/49/586592749.db2.gz VLWJKXOXWOAETJ-UWVGGRQHSA-N 0 3 245.319 2.657 20 5 BFBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1C=CCC1 ZINC000850506507 588553372 /nfs/dbraw/zinc/55/33/72/588553372.db2.gz FGWRVNHIIRXVKN-GWCFXTLKSA-N 0 3 244.294 2.890 20 5 BFBDHN C[C@@H](NCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020221 589856774 /nfs/dbraw/zinc/85/67/74/589856774.db2.gz FSSUNBKWSAMALJ-MRVPVSSYSA-N 0 3 238.262 2.795 20 5 BFBDHN CCN(Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000885955766 592115069 /nfs/dbraw/zinc/11/50/69/592115069.db2.gz AEYNLVWVCKMQBP-UHFFFAOYSA-N 0 3 249.314 2.754 20 5 BFBDHN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])C(C)(C)C1 ZINC000886029740 592136086 /nfs/dbraw/zinc/13/60/86/592136086.db2.gz AJQYFIWPTJJBEB-SNVBAGLBSA-N 0 3 249.314 2.610 20 5 BFBDHN CC[C@H]1CC[C@@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000886102602 592155345 /nfs/dbraw/zinc/15/53/45/592155345.db2.gz LDDVEGJRFWFSRS-PWSUYJOCSA-N 0 3 249.314 2.753 20 5 BFBDHN CC[C@@H]1[C@H](C)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886143305 592162411 /nfs/dbraw/zinc/16/24/11/592162411.db2.gz ZDHBUNQPVFCLFP-ZYHUDNBSSA-N 0 3 249.314 2.610 20 5 BFBDHN C[C@@H]1CCCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886142709 592162745 /nfs/dbraw/zinc/16/27/45/592162745.db2.gz JBIOHFHEVZJNJX-LLVKDONJSA-N 0 3 249.314 2.612 20 5 BFBDHN C[C@H]1CCCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886142710 592162990 /nfs/dbraw/zinc/16/29/90/592162990.db2.gz JBIOHFHEVZJNJX-NSHDSACASA-N 0 3 249.314 2.612 20 5 BFBDHN CN(Cc1cccnc1[N+](=O)[O-])C1(C)CCCC1 ZINC000886177052 592170202 /nfs/dbraw/zinc/17/02/02/592170202.db2.gz SXJORACBPQZEQL-UHFFFAOYSA-N 0 3 249.314 2.754 20 5 BFBDHN Cc1c(CN(C)CCCF)cccc1[N+](=O)[O-] ZINC000887137722 592453482 /nfs/dbraw/zinc/45/34/82/592453482.db2.gz QZXWXCZBWMOTHT-UHFFFAOYSA-N 0 3 240.278 2.695 20 5 BFBDHN CCC[C@@](C)(NCC[N+](=O)[O-])c1ccccc1 ZINC000934180893 641094325 /nfs/dbraw/zinc/09/43/25/641094325.db2.gz XDMOYXHWVADGFK-CYBMUJFWSA-N 0 3 236.315 2.568 20 5 BFBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCCF ZINC000304254745 644882131 /nfs/dbraw/zinc/88/21/31/644882131.db2.gz RVBLYCDPYGIHQJ-UHFFFAOYSA-N 0 3 246.669 2.697 20 5 BFBDHN O=[N+]([O-])CCN[C@H](c1ccccc1)C1CCCC1 ZINC000929974225 646381107 /nfs/dbraw/zinc/38/11/07/646381107.db2.gz YELCGFNQWPOTQT-CQSZACIVSA-N 0 3 248.326 2.784 20 5 BFBDHN O=[N+]([O-])CCN1CCC[C@H](C2CCCCC2)C1 ZINC001473670586 987523075 /nfs/dbraw/zinc/52/30/75/987523075.db2.gz LPVAYWXQJFBYGC-ZDUSSCGKSA-N 0 3 240.347 2.555 20 5 BFBDHN CCN(CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266667197 398191539 /nfs/dbraw/zinc/19/15/39/398191539.db2.gz NWTQSXOIIVKSIY-JTQLQIEISA-N 0 3 222.288 2.998 20 5 BFBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C ZINC000183339246 178271599 /nfs/dbraw/zinc/27/15/99/178271599.db2.gz NWIGMQIFJKEMMG-LLVKDONJSA-N 0 3 234.299 2.888 20 5 BFBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489415647 398311969 /nfs/dbraw/zinc/31/19/69/398311969.db2.gz STRIBZDYCUPXSJ-GFCCVEGCSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000076110465 344794348 /nfs/dbraw/zinc/79/43/48/344794348.db2.gz GPSIBENPKSYLFT-QWRGUYRKSA-N 0 3 234.299 2.683 20 5 BFBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000076111004 344795151 /nfs/dbraw/zinc/79/51/51/344795151.db2.gz BMXXMEFYLKSENE-QWRGUYRKSA-N 0 3 234.299 2.683 20 5 BFBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000076113606 344796986 /nfs/dbraw/zinc/79/69/86/344796986.db2.gz VWIICEFWJDPZIP-QWRGUYRKSA-N 0 3 234.299 2.683 20 5 BFBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000076113602 344797048 /nfs/dbraw/zinc/79/70/48/344797048.db2.gz VWIICEFWJDPZIP-PHIMTYICSA-N 0 3 234.299 2.683 20 5 BFBDHN CC[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000167730254 345723078 /nfs/dbraw/zinc/72/30/78/345723078.db2.gz JDBJVQGOMLZUKI-LBPRGKRZSA-N 0 3 234.299 2.969 20 5 BFBDHN CC1(C)C[C@]1(C)NCc1csc([N+](=O)[O-])c1 ZINC000594997095 348168413 /nfs/dbraw/zinc/16/84/13/348168413.db2.gz SUGJLBRNMDARGC-NSHDSACASA-N 0 3 240.328 2.935 20 5 BFBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CC=CC1 ZINC000595286322 348212446 /nfs/dbraw/zinc/21/24/46/348212446.db2.gz BKQGYOQABNTYEB-UHFFFAOYSA-N 0 3 246.310 2.993 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[C@H]2C1 ZINC000595807570 348349057 /nfs/dbraw/zinc/34/90/57/348349057.db2.gz KNUQEHXJJGUJQM-WXHSDQCUSA-N 0 3 246.310 2.998 20 5 BFBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[C@H]2C1 ZINC000595810494 348350020 /nfs/dbraw/zinc/35/00/20/348350020.db2.gz YDYJVGVZCGVTNY-WOPDTQHZSA-N 0 3 246.310 2.998 20 5 BFBDHN CC12CC(C1)CN2Cc1ccccc1[N+](=O)[O-] ZINC000595915120 348399795 /nfs/dbraw/zinc/39/97/95/348399795.db2.gz JODLDAXZRFZUEA-UHFFFAOYSA-N 0 3 232.283 2.579 20 5 BFBDHN CC1CC(CNCc2csc([N+](=O)[O-])c2)C1 ZINC000598647826 349011080 /nfs/dbraw/zinc/01/10/80/349011080.db2.gz KKVBWCWURAUSMX-UHFFFAOYSA-N 0 3 240.328 2.792 20 5 BFBDHN O=[N+]([O-])c1ccc(CCNCc2ccoc2)cc1 ZINC000063047432 350812987 /nfs/dbraw/zinc/81/29/87/350812987.db2.gz HSZWKRYLORBFKN-UHFFFAOYSA-N 0 3 246.266 2.520 20 5 BFBDHN CC(C)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000298301689 188215304 /nfs/dbraw/zinc/21/53/04/188215304.db2.gz KVUCVNVWXBVGNP-UHFFFAOYSA-N 0 3 234.299 2.968 20 5 BFBDHN C[C@@H]1C[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000610133322 357221408 /nfs/dbraw/zinc/22/14/08/357221408.db2.gz DHMOOQQSPFWUCR-WDEREUQCSA-N 0 3 234.299 2.825 20 5 BFBDHN C[C@H]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133321 357221701 /nfs/dbraw/zinc/22/17/01/357221701.db2.gz DHMOOQQSPFWUCR-QWRGUYRKSA-N 0 3 234.299 2.825 20 5 BFBDHN Cc1ccc(CN[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000044370984 358548130 /nfs/dbraw/zinc/54/81/30/358548130.db2.gz QNQBCSDOHBZZMO-LBPRGKRZSA-N 0 3 234.299 2.791 20 5 BFBDHN CC[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037472310 364052390 /nfs/dbraw/zinc/05/23/90/364052390.db2.gz PDMNXLSWDBJACY-SSDOTTSWSA-N 0 3 214.290 2.544 20 5 BFBDHN Cc1ccc(CN(C)CC(C)C)cc1[N+](=O)[O-] ZINC000349861912 370586148 /nfs/dbraw/zinc/58/61/48/370586148.db2.gz RRMMHTBLODGFGK-UHFFFAOYSA-N 0 3 236.315 2.991 20 5 BFBDHN CC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506008 371815752 /nfs/dbraw/zinc/81/57/52/371815752.db2.gz ROWCOUISWLASDC-MRVPVSSYSA-N 0 3 249.270 2.624 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000337641554 384556547 /nfs/dbraw/zinc/55/65/47/384556547.db2.gz GPNPJPZVHDGGEE-CYZMBNFOSA-N 0 3 246.310 2.873 20 5 BFBDHN O=[N+]([O-])c1cc(CNCCC2CC2)cs1 ZINC000083894012 384921864 /nfs/dbraw/zinc/92/18/64/384921864.db2.gz XWOSRYKTEXXYNF-UHFFFAOYSA-N 0 3 226.301 2.546 20 5 BFBDHN CC(C)(NCCCF)c1ccccc1[N+](=O)[O-] ZINC000292191376 385614278 /nfs/dbraw/zinc/61/42/78/385614278.db2.gz RJQCVFONKKVUKZ-UHFFFAOYSA-N 0 3 240.278 2.779 20 5 BFBDHN CC(F)(F)CCNCc1ccccc1[N+](=O)[O-] ZINC000294298755 386076001 /nfs/dbraw/zinc/07/60/01/386076001.db2.gz UXCJBHNEEFXREI-UHFFFAOYSA-N 0 3 244.241 2.730 20 5 BFBDHN O=[N+]([O-])c1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000186614738 387023383 /nfs/dbraw/zinc/02/33/83/387023383.db2.gz HETXXWDDRZHGDW-UHFFFAOYSA-N 0 3 246.310 2.971 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN1CCC2(CC2)CC1 ZINC000368426588 387369522 /nfs/dbraw/zinc/36/95/22/387369522.db2.gz XETHZMOHWTVZGB-UHFFFAOYSA-N 0 3 246.310 2.971 20 5 BFBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000089512550 388012425 /nfs/dbraw/zinc/01/24/25/388012425.db2.gz WVESDSBZSUHLAV-SNVBAGLBSA-N 0 3 234.299 2.873 20 5 BFBDHN CC(C)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000046863012 388049833 /nfs/dbraw/zinc/04/98/33/388049833.db2.gz APRJKQUWHZGGFU-UHFFFAOYSA-N 0 3 222.288 2.683 20 5 BFBDHN C[C@H](N[C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424320792 388696204 /nfs/dbraw/zinc/69/62/04/388696204.db2.gz JRAMTSPEVCGHNA-CABZTGNLSA-N 0 3 232.283 2.798 20 5 BFBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](C3CC3)C2)c1 ZINC000371309745 388696726 /nfs/dbraw/zinc/69/67/26/388696726.db2.gz ZOFXJTRERMMIQC-CYBMUJFWSA-N 0 3 246.310 2.827 20 5 BFBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000489443306 388726211 /nfs/dbraw/zinc/72/62/11/388726211.db2.gz WEBBTEFUHNEYNR-GFCCVEGCSA-N 0 3 234.299 2.825 20 5 BFBDHN CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000125072131 388766689 /nfs/dbraw/zinc/76/66/89/388766689.db2.gz VLAWKMYBONCBQQ-NSHDSACASA-N 0 3 234.299 2.827 20 5 BFBDHN CC1(C)CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000284314748 388827715 /nfs/dbraw/zinc/82/77/15/388827715.db2.gz LMDYKPPHYXXXSA-GFCCVEGCSA-N 0 3 234.299 2.873 20 5 BFBDHN O=[N+]([O-])c1ccc2c(c1)CN(C1CCCC1)CC2 ZINC000093338408 388835098 /nfs/dbraw/zinc/83/50/98/388835098.db2.gz MMJRWYCCLOZTRH-UHFFFAOYSA-N 0 3 246.310 2.896 20 5 BFBDHN CC[C@@H]1CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000348059850 136024299 /nfs/dbraw/zinc/02/42/99/136024299.db2.gz BQOXODRICBNQJP-ZYHUDNBSSA-N 0 3 234.299 2.873 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@@H]1C1CC1 ZINC000348086364 136034857 /nfs/dbraw/zinc/03/48/57/136034857.db2.gz YVSIFOOASPYODV-OLZOCXBDSA-N 0 3 246.310 2.873 20 5 BFBDHN CC[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000037472311 171344270 /nfs/dbraw/zinc/34/42/70/171344270.db2.gz PDMNXLSWDBJACY-ZETCQYMHSA-N 0 3 214.290 2.544 20 5 BFBDHN CC(C)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525915 167013907 /nfs/dbraw/zinc/01/39/07/167013907.db2.gz FXBFEBJRHOWIJM-SNVBAGLBSA-N 0 3 222.288 2.901 20 5 BFBDHN CC1(C)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000170872829 167903906 /nfs/dbraw/zinc/90/39/06/167903906.db2.gz ZYFBRZAZAGIHET-UHFFFAOYSA-N 0 3 234.299 2.969 20 5 BFBDHN CC1(C)[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000172955387 168013418 /nfs/dbraw/zinc/01/34/18/168013418.db2.gz PFDNFGRFNDNPSI-BETUJISGSA-N 0 3 246.310 2.683 20 5 BFBDHN CC1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336730687 168043640 /nfs/dbraw/zinc/04/36/40/168043640.db2.gz YGUHSUBNOZXIDM-UHFFFAOYSA-N 0 3 238.262 2.624 20 5 BFBDHN CC1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000226786552 168044074 /nfs/dbraw/zinc/04/40/74/168044074.db2.gz YKLILPPEXNRJTL-UHFFFAOYSA-N 0 3 234.299 2.875 20 5 BFBDHN CC[C@H](C)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337262169 171320156 /nfs/dbraw/zinc/32/01/56/171320156.db2.gz YNOWHCSTVGIXRD-JTQLQIEISA-N 0 3 234.299 2.751 20 5 BFBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000066405605 177037372 /nfs/dbraw/zinc/03/73/72/177037372.db2.gz ALKKNZARQQAXLB-SNVBAGLBSA-N 0 3 220.272 2.752 20 5 BFBDHN C[C@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000128542121 177193329 /nfs/dbraw/zinc/19/33/29/177193329.db2.gz XITYWGMSHKKJLL-WCBMZHEXSA-N 0 3 240.328 2.935 20 5 BFBDHN C[C@H]1CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000309051158 177207656 /nfs/dbraw/zinc/20/76/56/177207656.db2.gz PVWHUTYMSIMKNL-IONNQARKSA-N 0 3 226.301 2.544 20 5 BFBDHN Cc1c(CN[C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000829346384 582856827 /nfs/dbraw/zinc/85/68/27/582856827.db2.gz BAAFQELSJPGGMS-LBPRGKRZSA-N 0 3 232.283 2.711 20 5 BFBDHN CCCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000857029232 588882965 /nfs/dbraw/zinc/88/29/65/588882965.db2.gz KWHCWNMFNAVCQW-WDEREUQCSA-N 0 3 245.319 2.657 20 5 BFBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897953264 584064107 /nfs/dbraw/zinc/06/41/07/584064107.db2.gz ODYRISSVTHIUET-CYZMBNFOSA-N 0 3 246.310 2.873 20 5 BFBDHN C[C@H](C1CC1)N(CC[N+](=O)[O-])Cc1ccccc1 ZINC000798194229 586139728 /nfs/dbraw/zinc/13/97/28/586139728.db2.gz XSEHPXASGDOMLR-GFCCVEGCSA-N 0 3 248.326 2.564 20 5 BFBDHN CC[C@@H](C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107211 586592725 /nfs/dbraw/zinc/59/27/25/586592725.db2.gz MPSVYBDAGKLCLC-MNOVXSKESA-N 0 3 245.319 2.801 20 5 BFBDHN CC(COC(=O)CC1CCCCCC1)[N+](=O)[O-] ZINC000813108240 586593179 /nfs/dbraw/zinc/59/31/79/586593179.db2.gz WKRPZDYADIAWHL-SNVBAGLBSA-N 0 3 243.303 2.555 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1C=CCC1 ZINC000850357943 588538936 /nfs/dbraw/zinc/53/89/36/588538936.db2.gz CGZSBYKWFIROKH-VGVVRCBHSA-N 0 3 244.294 2.916 20 5 BFBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1C=CCC1 ZINC000850357941 588539444 /nfs/dbraw/zinc/53/94/44/588539444.db2.gz CGZSBYKWFIROKH-IYNGYCSASA-N 0 3 244.294 2.916 20 5 BFBDHN CCN(Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000851732680 588619853 /nfs/dbraw/zinc/61/98/53/588619853.db2.gz AMGDRAAJNIWHBE-UHFFFAOYSA-N 0 3 240.278 2.964 20 5 BFBDHN C[C@H](NCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020222 589856562 /nfs/dbraw/zinc/85/65/62/589856562.db2.gz FSSUNBKWSAMALJ-QMMMGPOBSA-N 0 3 238.262 2.795 20 5 BFBDHN CCCN(Cc1cccnc1[N+](=O)[O-])CC1CC1 ZINC000885933544 592110897 /nfs/dbraw/zinc/11/08/97/592110897.db2.gz XELQQCDLKTXAEI-UHFFFAOYSA-N 0 3 249.314 2.612 20 5 BFBDHN CC[C@H]1CC[C@H](C)N1Cc1cccnc1[N+](=O)[O-] ZINC000886102601 592155303 /nfs/dbraw/zinc/15/53/03/592155303.db2.gz LDDVEGJRFWFSRS-JQWIXIFHSA-N 0 3 249.314 2.753 20 5 BFBDHN C[C@H]1CC[C@@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930456922 639757721 /nfs/dbraw/zinc/75/77/21/639757721.db2.gz JVEXYZDRYOWRLG-JSGCOSHPSA-N 0 3 248.326 2.736 20 5 BFBDHN C[C@H]1CC[C@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930456921 639758552 /nfs/dbraw/zinc/75/85/52/639758552.db2.gz JVEXYZDRYOWRLG-GXTWGEPZSA-N 0 3 248.326 2.736 20 5 BFBDHN C[C@@H]1CC[C@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930456924 639759389 /nfs/dbraw/zinc/75/93/89/639759389.db2.gz JVEXYZDRYOWRLG-TZMCWYRMSA-N 0 3 248.326 2.736 20 5 BFBDHN CC(C)N(CC[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000930537867 639806476 /nfs/dbraw/zinc/80/64/76/639806476.db2.gz HJWGAXQXKGKMBL-LBPRGKRZSA-N 0 3 236.315 2.735 20 5 BFBDHN CC1(C)C[C@@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930763330 639903886 /nfs/dbraw/zinc/90/38/86/639903886.db2.gz NEVCHKUBDREGIS-ZDUSSCGKSA-N 0 3 248.326 2.736 20 5 BFBDHN CC[C@@H](NCC[N+](=O)[O-])c1cc(C)ccc1C ZINC000931262247 640123185 /nfs/dbraw/zinc/12/31/85/640123185.db2.gz PGAUJWIKXQHECO-CYBMUJFWSA-N 0 3 236.315 2.621 20 5 BFBDHN CCCCC1(NCc2cccnc2[N+](=O)[O-])CC1 ZINC000934200642 641100139 /nfs/dbraw/zinc/10/01/39/641100139.db2.gz LGAAGZLEKFWLMH-UHFFFAOYSA-N 0 3 249.314 2.802 20 5 BFBDHN C[C@@H](NCC[N+](=O)[O-])c1cccc2ccccc21 ZINC000930183506 645886296 /nfs/dbraw/zinc/88/62/96/645886296.db2.gz PVEGBBLBRZXZPX-LLVKDONJSA-N 0 3 244.294 2.767 20 5 BFBDHN O=[N+]([O-])CCN1CCCCC[C@@H]1c1ccccc1 ZINC000929289890 646065244 /nfs/dbraw/zinc/06/52/44/646065244.db2.gz IOFDQEQAVUEUAK-CQSZACIVSA-N 0 3 248.326 2.880 20 5 BFBDHN CC(C)(C)CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161641279 964657226 /nfs/dbraw/zinc/65/72/26/964657226.db2.gz FCRBXJXMWNILHE-UHFFFAOYSA-N 0 3 249.314 2.656 20 5 BFBDHN CC[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC001473403213 987427276 /nfs/dbraw/zinc/42/72/76/987427276.db2.gz SLSQXGYXMYNKDP-MNOVXSKESA-N 0 3 249.314 2.610 20 5 BFBDHN CC(C)C[C@@H](NCC[N+](=O)[O-])c1ccccc1 ZINC001119692828 989339228 /nfs/dbraw/zinc/33/92/28/989339228.db2.gz PDIDZKKAFOXKFW-CYBMUJFWSA-N 0 3 236.315 2.640 20 5 BFBDHN