smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000000343845 344709406 /nfs/dbraw/zinc/70/94/06/344709406.db2.gz XIHPNNCQCMIKDW-UHFFFAOYSA-N 0 0 243.262 3.482 20 5 BGBDRN O=[N+]([O-])c1cccc(CNc2ccccc2)c1 ZINC000001746113 358098975 /nfs/dbraw/zinc/09/89/75/358098975.db2.gz HLBXJHXQMHGOEL-UHFFFAOYSA-N 0 0 228.251 3.207 20 5 BGBDRN C[C@@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000004716695 177314020 /nfs/dbraw/zinc/31/40/20/177314020.db2.gz WTOIWNSYVHWPNM-DTORHVGOSA-N 0 0 240.328 3.139 20 5 BGBDRN C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000004716696 177358770 /nfs/dbraw/zinc/35/87/70/177358770.db2.gz WTOIWNSYVHWPNM-IUCAKERBSA-N 0 0 240.328 3.139 20 5 BGBDRN C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000004716697 176361849 /nfs/dbraw/zinc/36/18/49/176361849.db2.gz WTOIWNSYVHWPNM-RKDXNWHRSA-N 0 0 240.328 3.139 20 5 BGBDRN CCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005297434 384999394 /nfs/dbraw/zinc/99/93/94/384999394.db2.gz OBRMWASETHGQMV-UHFFFAOYSA-N 0 0 236.271 3.114 20 5 BGBDRN O=[N+]([O-])c1cccc(NCCc2ccccc2)c1 ZINC000005331643 346188594 /nfs/dbraw/zinc/18/85/94/346188594.db2.gz XBBWBXODAFMZCJ-UHFFFAOYSA-N 0 0 242.278 3.249 20 5 BGBDRN CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000005458376 346230207 /nfs/dbraw/zinc/23/02/07/346230207.db2.gz POBRPDKTAFENSV-UHFFFAOYSA-N 0 0 236.271 3.032 20 5 BGBDRN CCCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000005458396 168626478 /nfs/dbraw/zinc/62/64/78/168626478.db2.gz OLKBOROCNLJUEX-UHFFFAOYSA-N 0 0 236.271 3.032 20 5 BGBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C ZINC000005510691 385142523 /nfs/dbraw/zinc/14/25/23/385142523.db2.gz JHEZOWCIVSOCDZ-UHFFFAOYSA-N 0 0 244.250 3.399 20 5 BGBDRN Cc1ccc(NC(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000005618321 346282714 /nfs/dbraw/zinc/28/27/14/346282714.db2.gz NQMQKUHOIRLYAI-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN O=C(CC1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000006405960 358009044 /nfs/dbraw/zinc/00/90/44/358009044.db2.gz IDIJKEKQKFQRGA-UHFFFAOYSA-N 0 0 248.282 3.114 20 5 BGBDRN CCc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000006871021 387721526 /nfs/dbraw/zinc/72/15/26/387721526.db2.gz HRRBCVMRPXKJAD-UHFFFAOYSA-N 0 0 243.266 3.296 20 5 BGBDRN Cc1cccc(Nc2ncccc2[N+](=O)[O-])c1 ZINC000007185663 179160752 /nfs/dbraw/zinc/16/07/52/179160752.db2.gz XQYXDWHVXPNULZ-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1C ZINC000007185670 178781888 /nfs/dbraw/zinc/78/18/88/178781888.db2.gz OQHPMDYRQCCEIP-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN O=[N+]([O-])c1cccnc1Nc1cccc(Cl)c1 ZINC000007185687 356368293 /nfs/dbraw/zinc/36/82/93/356368293.db2.gz BFFGCEOBKIVBQY-UHFFFAOYSA-N 0 0 249.657 3.387 20 5 BGBDRN Cc1ccccc1Oc1ncccc1[N+](=O)[O-] ZINC000007185712 350224283 /nfs/dbraw/zinc/22/42/83/350224283.db2.gz KJCZOLGYSHZSOB-UHFFFAOYSA-N 0 0 230.223 3.091 20 5 BGBDRN Cc1cc(C)cc(Nc2ncccc2[N+](=O)[O-])c1 ZINC000007185903 361404549 /nfs/dbraw/zinc/40/45/49/361404549.db2.gz QTYIXTOXWPJULS-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN CCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000007185927 171822789 /nfs/dbraw/zinc/82/27/89/171822789.db2.gz XRIIUZNICFUVIN-UHFFFAOYSA-N 0 0 243.266 3.296 20 5 BGBDRN Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1F ZINC000007185951 350224835 /nfs/dbraw/zinc/22/48/35/350224835.db2.gz ZDICDBRSAXBRIS-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN CCc1cccc(Nc2ncccc2[N+](=O)[O-])c1 ZINC000007185954 350224989 /nfs/dbraw/zinc/22/49/89/350224989.db2.gz YONBZDHGNINTNG-UHFFFAOYSA-N 0 0 243.266 3.296 20 5 BGBDRN Cc1cc(Nc2ccc([N+](=O)[O-])cn2)ccc1F ZINC000007278274 178191420 /nfs/dbraw/zinc/19/14/20/178191420.db2.gz VJMUPJOXDWTXDL-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000007843852 170175709 /nfs/dbraw/zinc/17/57/09/170175709.db2.gz OPJABTKKGUOJFC-UHFFFAOYSA-N 0 0 249.295 3.150 20 5 BGBDRN CCNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000007843860 170175549 /nfs/dbraw/zinc/17/55/49/170175549.db2.gz RYLBSRNOOGTPPG-UHFFFAOYSA-N 0 0 249.295 3.150 20 5 BGBDRN CNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000007889393 173484696 /nfs/dbraw/zinc/48/46/96/173484696.db2.gz WGTRBJPPVHJDMQ-UHFFFAOYSA-N 0 0 249.295 3.068 20 5 BGBDRN O=Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000008079522 388400892 /nfs/dbraw/zinc/40/08/92/388400892.db2.gz DQICVGKJZQGBOG-UHFFFAOYSA-N 0 0 243.218 3.200 20 5 BGBDRN O=Cc1cccc(Oc2ccccc2[N+](=O)[O-])c1 ZINC000008148184 388401903 /nfs/dbraw/zinc/40/19/03/388401903.db2.gz QCTLUPWUUYJVSU-UHFFFAOYSA-N 0 0 243.218 3.200 20 5 BGBDRN Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000008412107 372702976 /nfs/dbraw/zinc/70/29/76/372702976.db2.gz LTTQCKCQFPRMSB-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1C ZINC000008412866 372702990 /nfs/dbraw/zinc/70/29/90/372702990.db2.gz KBZBOTKOUWDFLA-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)nc1 ZINC000008418258 372704980 /nfs/dbraw/zinc/70/49/80/372704980.db2.gz KVKTURKMPFGEJY-UHFFFAOYSA-N 0 0 249.657 3.387 20 5 BGBDRN O=C(OC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000008515353 588705668 /nfs/dbraw/zinc/70/56/68/588705668.db2.gz HXMGVONPRCGKCJ-UHFFFAOYSA-N 0 0 249.266 3.084 20 5 BGBDRN O=[N+]([O-])c1ccccc1Sc1ccc(O)cc1 ZINC000013836764 343678159 /nfs/dbraw/zinc/67/81/59/343678159.db2.gz HNHSWDPMFNORON-UHFFFAOYSA-N 0 0 247.275 3.452 20 5 BGBDRN O=C(OC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000014018336 589200843 /nfs/dbraw/zinc/20/08/43/589200843.db2.gz WGBLETXBJWLOPD-UHFFFAOYSA-N 0 0 249.266 3.084 20 5 BGBDRN Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1F ZINC000014206478 367930922 /nfs/dbraw/zinc/93/09/22/367930922.db2.gz WBMKWIFBAYCYPI-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN CCc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000014207328 384784798 /nfs/dbraw/zinc/78/47/98/384784798.db2.gz XULDPQNCDGGWML-UHFFFAOYSA-N 0 0 243.266 3.296 20 5 BGBDRN O=[N+]([O-])c1ccc(/C=C/Sc2ccccn2)o1 ZINC000014730912 589306778 /nfs/dbraw/zinc/30/67/78/589306778.db2.gz LJPFLFPUXUSXOR-SOFGYWHQSA-N 0 0 248.263 3.346 20 5 BGBDRN CC(C)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000015208008 167017702 /nfs/dbraw/zinc/01/77/02/167017702.db2.gz VZLYWHINUKQHCA-UHFFFAOYSA-N 0 0 245.282 3.211 20 5 BGBDRN CCc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 ZINC000019651549 388743894 /nfs/dbraw/zinc/74/38/94/388743894.db2.gz XJIFTQWFKFNGER-UHFFFAOYSA-N 0 0 244.250 3.345 20 5 BGBDRN CC(=O)c1ccc(OC2CCCC2)c([N+](=O)[O-])c1 ZINC000019871235 166467689 /nfs/dbraw/zinc/46/76/89/166467689.db2.gz CPHYMZVXVDGHPD-UHFFFAOYSA-N 0 0 249.266 3.119 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCCc1cccs1 ZINC000019992889 371215639 /nfs/dbraw/zinc/21/56/39/371215639.db2.gz FKTFJJWFNVRHOI-UHFFFAOYSA-N 0 0 248.307 3.311 20 5 BGBDRN O=[N+]([O-])c1cccc(CNc2ccc(F)cc2)c1 ZINC000020051931 359622641 /nfs/dbraw/zinc/62/26/41/359622641.db2.gz OWJPPXGYKZEWSW-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN O=[N+]([O-])c1ccccc1CNc1ccc(F)cc1 ZINC000020051933 182948843 /nfs/dbraw/zinc/94/88/43/182948843.db2.gz VFMKZAVZVOHWJE-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN O=[N+]([O-])c1ccc(CNc2ccccc2F)cc1 ZINC000020052438 182931149 /nfs/dbraw/zinc/93/11/49/182931149.db2.gz YNSDBJSBWXLLSR-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN O=[N+]([O-])c1cccc(CNc2ccccc2F)c1 ZINC000020052439 359624992 /nfs/dbraw/zinc/62/49/92/359624992.db2.gz MGTYTDXTTYQQTL-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN O=[N+]([O-])c1ccccc1CNc1ccccc1F ZINC000020052441 371224640 /nfs/dbraw/zinc/22/46/40/371224640.db2.gz FIBQNEAFPJBSDG-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN C[C@@H](NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000020084112 259387758 /nfs/dbraw/zinc/38/77/58/259387758.db2.gz YXACXDHDPIKSDL-SNVBAGLBSA-N 0 0 246.266 3.039 20 5 BGBDRN C[C@H](NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000020084114 259387602 /nfs/dbraw/zinc/38/76/02/259387602.db2.gz YXACXDHDPIKSDL-JTQLQIEISA-N 0 0 246.266 3.039 20 5 BGBDRN O=[N+]([O-])c1ccc(NCc2cccc(F)c2)cc1 ZINC000020362278 182936570 /nfs/dbraw/zinc/93/65/70/182936570.db2.gz ABLAKFACEQTMCW-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN C[C@@H]1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])[C@@H]1C ZINC000020370307 259395084 /nfs/dbraw/zinc/39/50/84/259395084.db2.gz HYVGYXSJWQPOOW-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CCC[C@H](Nc2ccncc2[N+](=O)[O-])[C@@H]1C ZINC000020370313 259395297 /nfs/dbraw/zinc/39/52/97/259395297.db2.gz HYVGYXSJWQPOOW-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCCCC2)c(F)c1 ZINC000020474722 344132701 /nfs/dbraw/zinc/13/27/01/344132701.db2.gz RFBYOZJZJIDTHM-UHFFFAOYSA-N 0 0 238.262 3.479 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCCC2)c(F)c1 ZINC000020474730 182934924 /nfs/dbraw/zinc/93/49/24/182934924.db2.gz LBDNZTQDRFNXJA-UHFFFAOYSA-N 0 0 224.235 3.088 20 5 BGBDRN CCC(CC)Nc1ccc([N+](=O)[O-])cc1F ZINC000020474731 168393527 /nfs/dbraw/zinc/39/35/27/168393527.db2.gz MQPAWNBHGYGNDB-UHFFFAOYSA-N 0 0 226.251 3.334 20 5 BGBDRN CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000020474742 344268881 /nfs/dbraw/zinc/26/88/81/344268881.db2.gz BWWBVBIERKWGFE-MRVPVSSYSA-N 0 0 226.251 3.334 20 5 BGBDRN CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000020474743 344268677 /nfs/dbraw/zinc/26/86/77/344268677.db2.gz BWWBVBIERKWGFE-QMMMGPOBSA-N 0 0 226.251 3.334 20 5 BGBDRN CCCCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474752 344148527 /nfs/dbraw/zinc/14/85/27/344148527.db2.gz VLMUOUVASNDMFN-UHFFFAOYSA-N 0 0 226.251 3.336 20 5 BGBDRN CC(C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000020474756 384603930 /nfs/dbraw/zinc/60/39/30/384603930.db2.gz CEFVQYOSBNHMNT-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN C[C@@H]1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1C ZINC000020547152 176125489 /nfs/dbraw/zinc/12/54/89/176125489.db2.gz UUFFMUWFIIJQMX-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1C ZINC000020547156 176145912 /nfs/dbraw/zinc/14/59/12/176145912.db2.gz UUFFMUWFIIJQMX-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000020566081 175937734 /nfs/dbraw/zinc/93/77/34/175937734.db2.gz LJWPCHLALZQSRF-SNVBAGLBSA-N 0 0 243.266 3.163 20 5 BGBDRN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000020566082 371296086 /nfs/dbraw/zinc/29/60/86/371296086.db2.gz LJWPCHLALZQSRF-JTQLQIEISA-N 0 0 243.266 3.163 20 5 BGBDRN CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000021008048 349880921 /nfs/dbraw/zinc/88/09/21/349880921.db2.gz PMPULEOTFRECIN-SECBINFHSA-N 0 0 208.261 3.195 20 5 BGBDRN CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000021008050 349880718 /nfs/dbraw/zinc/88/07/18/349880718.db2.gz PMPULEOTFRECIN-VIFPVBQESA-N 0 0 208.261 3.195 20 5 BGBDRN CCC[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000021018399 349886542 /nfs/dbraw/zinc/88/65/42/349886542.db2.gz MUMBKYNNLNBRIS-SECBINFHSA-N 0 0 208.261 3.195 20 5 BGBDRN CCC[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000021018403 371357484 /nfs/dbraw/zinc/35/74/84/371357484.db2.gz MUMBKYNNLNBRIS-VIFPVBQESA-N 0 0 208.261 3.195 20 5 BGBDRN O=[N+]([O-])c1ccc(NCC2CC2)c(Cl)c1 ZINC000021056377 371358580 /nfs/dbraw/zinc/35/85/80/371358580.db2.gz OMALAELYKHHTDK-UHFFFAOYSA-N 0 0 226.663 3.070 20 5 BGBDRN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1C ZINC000021800552 176124064 /nfs/dbraw/zinc/12/40/64/176124064.db2.gz FKTYCEFIHJDHPZ-CKYFFXLPSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1C ZINC000021800557 176145266 /nfs/dbraw/zinc/14/52/66/176145266.db2.gz FKTYCEFIHJDHPZ-FOGDFJRCSA-N 0 0 249.314 3.226 20 5 BGBDRN O=[N+]([O-])c1ccc(NCc2ccc(F)cc2)cc1 ZINC000021810845 182936294 /nfs/dbraw/zinc/93/62/94/182936294.db2.gz FXFPSVASZNVDPW-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1NCC1CC1 ZINC000021813986 182924003 /nfs/dbraw/zinc/92/40/03/182924003.db2.gz XXWKQMDYXLDNIQ-UHFFFAOYSA-N 0 0 226.663 3.070 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCc2cccs2)cc1 ZINC000021814445 182935719 /nfs/dbraw/zinc/93/57/19/182935719.db2.gz QXQFGEVSIBTQHP-UHFFFAOYSA-N 0 0 248.307 3.311 20 5 BGBDRN O=[N+]([O-])c1ccc(NCc2ccccc2F)cc1 ZINC000021818910 182936128 /nfs/dbraw/zinc/93/61/28/182936128.db2.gz LWISNYJNBLQRCZ-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000022796485 342807934 /nfs/dbraw/zinc/80/79/34/342807934.db2.gz HLMXCGYQUGFYJW-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN CC(C)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000024057196 167017487 /nfs/dbraw/zinc/01/74/87/167017487.db2.gz MFKNOVKVHIINKH-UHFFFAOYSA-N 0 0 245.282 3.211 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1Nc1ccccc1 ZINC000025369004 344682694 /nfs/dbraw/zinc/68/26/94/344682694.db2.gz XWYQMPWTDQFYJF-UHFFFAOYSA-N 0 0 232.214 3.478 20 5 BGBDRN O=[N+]([O-])c1ccc(SCc2ccccn2)cc1 ZINC000026293604 187255309 /nfs/dbraw/zinc/25/53/09/187255309.db2.gz PTRGGHFNZUVANN-UHFFFAOYSA-N 0 0 246.291 3.282 20 5 BGBDRN O=[N+]([O-])c1ccc(CCNc2ccccc2)cc1 ZINC000032132617 182929618 /nfs/dbraw/zinc/92/96/18/182929618.db2.gz LQJZGKMOBIDDGP-UHFFFAOYSA-N 0 0 242.278 3.249 20 5 BGBDRN O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCCCC1 ZINC000033300008 350228091 /nfs/dbraw/zinc/22/80/91/350228091.db2.gz FDNXSQGWMSLYCN-VURMDHGXSA-N 0 0 246.310 3.094 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCC2=CCCCC2)nc1 ZINC000033916209 345845452 /nfs/dbraw/zinc/84/54/52/345845452.db2.gz CTNQLQNXHJQQEK-UHFFFAOYSA-N 0 0 247.298 3.292 20 5 BGBDRN Cc1ccnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000034091031 368263248 /nfs/dbraw/zinc/26/32/48/368263248.db2.gz ZFVFNRRXXYBOHN-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN Cc1cc(Nc2ccccc2)ncc1[N+](=O)[O-] ZINC000034091032 368262998 /nfs/dbraw/zinc/26/29/98/368262998.db2.gz BBVXBLYHDFTVOG-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(Nc2ccccc2)n1 ZINC000034091036 358451414 /nfs/dbraw/zinc/45/14/14/358451414.db2.gz HWKGNZGPNDPKEX-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN Cc1cnc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000034121849 355795501 /nfs/dbraw/zinc/79/55/01/355795501.db2.gz ZATYFGSZJXVMMM-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN O=[N+]([O-])c1ccccc1OCC1=CCCC1 ZINC000034155543 386072937 /nfs/dbraw/zinc/07/29/37/386072937.db2.gz YCHAAYQOMWVXRT-UHFFFAOYSA-N 0 0 219.240 3.084 20 5 BGBDRN CCCN(CCC)c1ccc([N+](=O)[O-])cc1 ZINC000034156425 169153481 /nfs/dbraw/zinc/15/34/81/169153481.db2.gz GZCIRDMRXVOXPH-UHFFFAOYSA-N 0 0 222.288 3.221 20 5 BGBDRN O=[N+]([O-])c1cccc(COc2ccccc2)c1 ZINC000034189409 385098202 /nfs/dbraw/zinc/09/82/02/385098202.db2.gz ORJQWKOJUWLJOC-UHFFFAOYSA-N 0 0 229.235 3.174 20 5 BGBDRN CCCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000034196912 262773042 /nfs/dbraw/zinc/77/30/42/262773042.db2.gz YCUCCPYOOMCATB-UHFFFAOYSA-N 0 0 245.282 3.355 20 5 BGBDRN O=[N+]([O-])c1ccc(-c2nc3ccccc3[nH]2)s1 ZINC000034327500 368264406 /nfs/dbraw/zinc/26/44/06/368264406.db2.gz KIVVOWWBRZSISO-UHFFFAOYSA-N 0 0 245.263 3.200 20 5 BGBDRN CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000034330521 368264620 /nfs/dbraw/zinc/26/46/20/368264620.db2.gz NJSNVOCVDDBMCZ-UHFFFAOYSA-N 0 0 215.636 3.037 20 5 BGBDRN CN(Cc1ccccc1)c1sccc1[N+](=O)[O-] ZINC000034522725 346892864 /nfs/dbraw/zinc/89/28/64/346892864.db2.gz MPHXGZCUUFDCBY-UHFFFAOYSA-N 0 0 248.307 3.293 20 5 BGBDRN O=[N+]([O-])c1ccc(NCc2ccccc2)s1 ZINC000034591768 347182904 /nfs/dbraw/zinc/18/29/04/347182904.db2.gz TUQVPRHXLIOSFP-UHFFFAOYSA-N 0 0 234.280 3.268 20 5 BGBDRN O=[N+]([O-])c1ccc(NCC2CCC2)c(Cl)c1 ZINC000034653164 490221949 /nfs/dbraw/zinc/22/19/49/490221949.db2.gz LRIWPQOKXFPRDR-UHFFFAOYSA-N 0 0 240.690 3.460 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1NCC1CCC1 ZINC000034653179 136322457 /nfs/dbraw/zinc/32/24/57/136322457.db2.gz UUKOHCIHUMFHIX-UHFFFAOYSA-N 0 0 240.690 3.460 20 5 BGBDRN CCCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000034979401 387005343 /nfs/dbraw/zinc/00/53/43/387005343.db2.gz OSMOVJVOFNAMBW-UHFFFAOYSA-N 0 0 226.251 3.336 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1 ZINC000034979403 351374280 /nfs/dbraw/zinc/37/42/80/351374280.db2.gz UYWOKZIHMJGVCN-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1NC1CCCCC1 ZINC000034979405 397960361 /nfs/dbraw/zinc/96/03/61/397960361.db2.gz HSCZHAFNUPEGEV-UHFFFAOYSA-N 0 0 238.262 3.479 20 5 BGBDRN CC(C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000034979415 397960420 /nfs/dbraw/zinc/96/04/20/397960420.db2.gz HWSRJFVQQXBRDA-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1NC1CCCC1 ZINC000034979455 182923528 /nfs/dbraw/zinc/92/35/28/182923528.db2.gz IXIOQIPTLMFXLB-UHFFFAOYSA-N 0 0 224.235 3.088 20 5 BGBDRN CCC(CC)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000034979459 168394495 /nfs/dbraw/zinc/39/44/95/168394495.db2.gz FXTWTUDFQILAIJ-UHFFFAOYSA-N 0 0 226.251 3.334 20 5 BGBDRN O=[N+]([O-])c1cc(NCc2ccccc2)ccc1F ZINC000035047056 351390774 /nfs/dbraw/zinc/39/07/74/351390774.db2.gz UYRXOFMBIWXMSM-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN CCC[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000035054659 411431528 /nfs/dbraw/zinc/43/15/28/411431528.db2.gz KOUAJRLTPLBTMH-MRVPVSSYSA-N 0 0 226.251 3.334 20 5 BGBDRN CCC[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000035054660 411431700 /nfs/dbraw/zinc/43/17/00/411431700.db2.gz KOUAJRLTPLBTMH-QMMMGPOBSA-N 0 0 226.251 3.334 20 5 BGBDRN O=[N+]([O-])c1ccc(F)cc1CNc1ccccc1 ZINC000035057809 182932513 /nfs/dbraw/zinc/93/25/13/182932513.db2.gz FODBATZHILEUPZ-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN CC[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035060522 355710719 /nfs/dbraw/zinc/71/07/19/355710719.db2.gz CKJDEIPMEFWZLF-SECBINFHSA-N 0 0 245.282 3.353 20 5 BGBDRN CC[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035060525 171349766 /nfs/dbraw/zinc/34/97/66/171349766.db2.gz CKJDEIPMEFWZLF-VIFPVBQESA-N 0 0 245.282 3.353 20 5 BGBDRN CC(C)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035060528 167017609 /nfs/dbraw/zinc/01/76/09/167017609.db2.gz CPWKFWAQJGKRQJ-UHFFFAOYSA-N 0 0 245.282 3.211 20 5 BGBDRN CCCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035060547 386961218 /nfs/dbraw/zinc/96/12/18/386961218.db2.gz BCMLKYHSFPCTDW-UHFFFAOYSA-N 0 0 245.282 3.355 20 5 BGBDRN CC(C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035084408 167147177 /nfs/dbraw/zinc/14/71/77/167147177.db2.gz FYQZAGHPQDHIIB-UHFFFAOYSA-N 0 0 248.204 3.434 20 5 BGBDRN CC[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084416 355795412 /nfs/dbraw/zinc/79/54/12/355795412.db2.gz CCNPNSVVOOOIAF-SECBINFHSA-N 0 0 245.282 3.353 20 5 BGBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084417 171349899 /nfs/dbraw/zinc/34/98/99/171349899.db2.gz CCNPNSVVOOOIAF-VIFPVBQESA-N 0 0 245.282 3.353 20 5 BGBDRN CCCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084440 387020382 /nfs/dbraw/zinc/02/03/82/387020382.db2.gz ARLJJGHHJYCUDC-UHFFFAOYSA-N 0 0 245.282 3.355 20 5 BGBDRN CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035084457 170174485 /nfs/dbraw/zinc/17/44/85/170174485.db2.gz IQTBIVPDLNEGJW-UHFFFAOYSA-N 0 0 234.177 3.045 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CC2)cc1C(F)(F)F ZINC000035084458 355795880 /nfs/dbraw/zinc/79/58/80/355795880.db2.gz FCINCBAJSAOVKR-UHFFFAOYSA-N 0 0 246.188 3.188 20 5 BGBDRN CC[C@@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035084557 355795387 /nfs/dbraw/zinc/79/53/87/355795387.db2.gz WUUAMXHSTJANBA-SECBINFHSA-N 0 0 245.282 3.353 20 5 BGBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035084558 171349396 /nfs/dbraw/zinc/34/93/96/171349396.db2.gz WUUAMXHSTJANBA-VIFPVBQESA-N 0 0 245.282 3.353 20 5 BGBDRN CCCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035084572 387019744 /nfs/dbraw/zinc/01/97/44/387019744.db2.gz CQATXGHEIVDGHN-UHFFFAOYSA-N 0 0 245.282 3.355 20 5 BGBDRN CC(C)CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035084580 167017208 /nfs/dbraw/zinc/01/72/08/167017208.db2.gz CFTRDQUCIAOHHS-UHFFFAOYSA-N 0 0 245.282 3.211 20 5 BGBDRN CCCCCNc1cccc([N+](=O)[O-])c1 ZINC000035089512 355805946 /nfs/dbraw/zinc/80/59/46/355805946.db2.gz ZMDIDTIBYBUXIP-UHFFFAOYSA-N 0 0 208.261 3.197 20 5 BGBDRN O=[N+]([O-])c1cccc(NCc2cccc(F)c2)c1 ZINC000035098593 355805030 /nfs/dbraw/zinc/80/50/30/355805030.db2.gz IOWLYWDTLIMXKL-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000035122234 355835748 /nfs/dbraw/zinc/83/57/48/355835748.db2.gz HNTGCAGBYUSFGZ-JTQLQIEISA-N 0 0 243.266 3.163 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000035122235 175931446 /nfs/dbraw/zinc/93/14/46/175931446.db2.gz HNTGCAGBYUSFGZ-SNVBAGLBSA-N 0 0 243.266 3.163 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000035122688 355835379 /nfs/dbraw/zinc/83/53/79/355835379.db2.gz TUPSVROZVUHYIL-JTQLQIEISA-N 0 0 243.266 3.163 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000035122690 355835693 /nfs/dbraw/zinc/83/56/93/355835693.db2.gz TUPSVROZVUHYIL-SNVBAGLBSA-N 0 0 243.266 3.163 20 5 BGBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000035136778 386425046 /nfs/dbraw/zinc/42/50/46/386425046.db2.gz VAVGARAINSWSPX-JTQLQIEISA-N 0 0 246.266 3.039 20 5 BGBDRN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000035136780 386424687 /nfs/dbraw/zinc/42/46/87/386424687.db2.gz VAVGARAINSWSPX-SNVBAGLBSA-N 0 0 246.266 3.039 20 5 BGBDRN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000035136802 386426250 /nfs/dbraw/zinc/42/62/50/386426250.db2.gz NMMMENIVLBAYCV-JTQLQIEISA-N 0 0 246.266 3.039 20 5 BGBDRN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000035136804 355842433 /nfs/dbraw/zinc/84/24/33/355842433.db2.gz NMMMENIVLBAYCV-SNVBAGLBSA-N 0 0 246.266 3.039 20 5 BGBDRN CCCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035186015 386568860 /nfs/dbraw/zinc/56/88/60/386568860.db2.gz CGGSWYZHXRSJOJ-UHFFFAOYSA-N 0 0 245.282 3.355 20 5 BGBDRN O=[N+]([O-])c1cccc(NCc2ccccc2F)c1 ZINC000035186162 355873953 /nfs/dbraw/zinc/87/39/53/355873953.db2.gz PVMMNYCVAGTETK-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN O=[N+]([O-])c1cccc(NCc2ccc(F)cc2)c1 ZINC000035186357 182947154 /nfs/dbraw/zinc/94/71/54/182947154.db2.gz CWCKTPCZSFNHCM-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN CC(C)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035224130 167143576 /nfs/dbraw/zinc/14/35/76/167143576.db2.gz UOOIYWOOOVUPID-UHFFFAOYSA-N 0 0 214.652 3.069 20 5 BGBDRN O=[N+]([O-])c1ccccc1NC(C1CC1)C1CC1 ZINC000035224584 356418911 /nfs/dbraw/zinc/41/89/11/356418911.db2.gz BBFRABFZZKQPDO-UHFFFAOYSA-N 0 0 232.283 3.195 20 5 BGBDRN O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cc1 ZINC000035224586 356418926 /nfs/dbraw/zinc/41/89/26/356418926.db2.gz HISHLUJMRZIESE-UHFFFAOYSA-N 0 0 232.283 3.195 20 5 BGBDRN Cc1cc(NCc2ccco2)ccc1[N+](=O)[O-] ZINC000035277257 178174608 /nfs/dbraw/zinc/17/46/08/178174608.db2.gz MKNAZLDAKQXMLA-UHFFFAOYSA-N 0 0 232.239 3.108 20 5 BGBDRN Cc1cc(NC2CCCC2)ccc1[N+](=O)[O-] ZINC000035277273 178154507 /nfs/dbraw/zinc/15/45/07/178154507.db2.gz LTMTXPYMOJCVOQ-UHFFFAOYSA-N 0 0 220.272 3.258 20 5 BGBDRN Cc1cc(NCCC(C)C)ccc1[N+](=O)[O-] ZINC000035277327 178158564 /nfs/dbraw/zinc/15/85/64/178158564.db2.gz PRUYSGVMEZOMPM-UHFFFAOYSA-N 0 0 222.288 3.361 20 5 BGBDRN Cc1cc(NCC2CCC2)ccc1[N+](=O)[O-] ZINC000035277440 356460323 /nfs/dbraw/zinc/46/03/23/356460323.db2.gz RQICDBCWURZYGP-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN CC(C)CCNc1cccc([N+](=O)[O-])c1 ZINC000035367423 387611731 /nfs/dbraw/zinc/61/17/31/387611731.db2.gz CLMRWGZVGKJDJS-UHFFFAOYSA-N 0 0 208.261 3.053 20 5 BGBDRN O=[N+]([O-])c1cccc(NCCc2cccs2)c1 ZINC000035367434 646367832 /nfs/dbraw/zinc/36/78/32/646367832.db2.gz IYKQVOJJZFSYRW-UHFFFAOYSA-N 0 0 248.307 3.311 20 5 BGBDRN CC(C)[C@@H](C)Nc1cccc([N+](=O)[O-])c1 ZINC000035367439 398025886 /nfs/dbraw/zinc/02/58/86/398025886.db2.gz NBQOQBMXQUGIPP-SECBINFHSA-N 0 0 208.261 3.051 20 5 BGBDRN CC(C)[C@H](C)Nc1cccc([N+](=O)[O-])c1 ZINC000035367440 398025816 /nfs/dbraw/zinc/02/58/16/398025816.db2.gz NBQOQBMXQUGIPP-VIFPVBQESA-N 0 0 208.261 3.051 20 5 BGBDRN O=[N+]([O-])c1cccc(NCC2CCCC2)c1 ZINC000035367449 387567647 /nfs/dbraw/zinc/56/76/47/387567647.db2.gz SWCIVJCICDDRML-UHFFFAOYSA-N 0 0 220.272 3.197 20 5 BGBDRN C[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000035732819 387808287 /nfs/dbraw/zinc/80/82/87/387808287.db2.gz DGLCRNCXKBYQAK-UWVGGRQHSA-N 0 0 234.299 3.044 20 5 BGBDRN C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000035732820 358785841 /nfs/dbraw/zinc/78/58/41/358785841.db2.gz DGLCRNCXKBYQAK-VHSXEESVSA-N 0 0 234.299 3.044 20 5 BGBDRN C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000035732821 358785779 /nfs/dbraw/zinc/78/57/79/358785779.db2.gz DGLCRNCXKBYQAK-ZJUUUORDSA-N 0 0 234.299 3.044 20 5 BGBDRN C[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000035732822 358785496 /nfs/dbraw/zinc/78/54/96/358785496.db2.gz DGLCRNCXKBYQAK-NXEZZACHSA-N 0 0 234.299 3.044 20 5 BGBDRN Cc1cc(N[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000035733834 188145433 /nfs/dbraw/zinc/14/54/33/188145433.db2.gz KSUACNRDENJXSM-VIFPVBQESA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1cc(N[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000035733835 178184271 /nfs/dbraw/zinc/18/42/71/178184271.db2.gz KSUACNRDENJXSM-SECBINFHSA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1ccc(N[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000035733836 323670167 /nfs/dbraw/zinc/67/01/67/323670167.db2.gz NKGKVTWBEVXJTC-VIFPVBQESA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1ccc(N[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000035733837 387804897 /nfs/dbraw/zinc/80/48/97/387804897.db2.gz NKGKVTWBEVXJTC-SECBINFHSA-N 0 0 220.272 3.114 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCCCCC2)nc1 ZINC000036962715 182934535 /nfs/dbraw/zinc/93/45/35/182934535.db2.gz JKMOSGZJMFEUNH-UHFFFAOYSA-N 0 0 235.287 3.125 20 5 BGBDRN CC(C)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000036970493 167015761 /nfs/dbraw/zinc/01/57/61/167015761.db2.gz VNXLUWQGTBFPSC-UHFFFAOYSA-N 0 0 228.679 3.316 20 5 BGBDRN O=[N+]([O-])c1ccc(Cl)cc1NCC1CC1 ZINC000036970840 712520585 /nfs/dbraw/zinc/52/05/85/712520585.db2.gz PTUGTGHSVDQVQG-UHFFFAOYSA-N 0 0 226.663 3.070 20 5 BGBDRN CCCCCNc1cc([N+](=O)[O-])ccc1OC ZINC000037058264 361601757 /nfs/dbraw/zinc/60/17/57/361601757.db2.gz JVWCMMSVZFJAGC-UHFFFAOYSA-N 0 0 238.287 3.206 20 5 BGBDRN CC[C@@H](C)CNc1cc([N+](=O)[O-])ccc1OC ZINC000037058269 170710266 /nfs/dbraw/zinc/71/02/66/170710266.db2.gz GGLUWQRMYQCBKT-SECBINFHSA-N 0 0 238.287 3.061 20 5 BGBDRN CC[C@H](C)CNc1cc([N+](=O)[O-])ccc1OC ZINC000037058270 171287871 /nfs/dbraw/zinc/28/78/71/171287871.db2.gz GGLUWQRMYQCBKT-VIFPVBQESA-N 0 0 238.287 3.061 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1NCCC(C)C ZINC000037058293 175201293 /nfs/dbraw/zinc/20/12/93/175201293.db2.gz QFQBTHURTRXQMF-UHFFFAOYSA-N 0 0 238.287 3.061 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1N[C@H](C)C(C)C ZINC000037058329 361601652 /nfs/dbraw/zinc/60/16/52/361601652.db2.gz VYVCCOIQRBXFIW-SECBINFHSA-N 0 0 238.287 3.060 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1N[C@@H](C)C(C)C ZINC000037058330 361602036 /nfs/dbraw/zinc/60/20/36/361602036.db2.gz VYVCCOIQRBXFIW-VIFPVBQESA-N 0 0 238.287 3.060 20 5 BGBDRN CC[C@@H](C)CNc1cccc([N+](=O)[O-])c1 ZINC000037058516 361601514 /nfs/dbraw/zinc/60/15/14/361601514.db2.gz JGKFVHOZSUMCQP-SECBINFHSA-N 0 0 208.261 3.053 20 5 BGBDRN CC[C@H](C)CNc1cccc([N+](=O)[O-])c1 ZINC000037058517 171288591 /nfs/dbraw/zinc/28/85/91/171288591.db2.gz JGKFVHOZSUMCQP-VIFPVBQESA-N 0 0 208.261 3.053 20 5 BGBDRN O=[N+]([O-])c1cccc(NCc2ccsc2)c1 ZINC000037058587 712531697 /nfs/dbraw/zinc/53/16/97/712531697.db2.gz HZWDTHDZUZZBPY-UHFFFAOYSA-N 0 0 234.280 3.268 20 5 BGBDRN CCC(CC)CNc1cccc([N+](=O)[O-])c1 ZINC000037058588 168366586 /nfs/dbraw/zinc/36/65/86/168366586.db2.gz OYEIZVHPKWJZHE-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000037058816 361602115 /nfs/dbraw/zinc/60/21/15/361602115.db2.gz BRCLIWGATXZXEW-NXEZZACHSA-N 0 0 222.288 3.441 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000037058817 171367501 /nfs/dbraw/zinc/36/75/01/171367501.db2.gz BRCLIWGATXZXEW-VHSXEESVSA-N 0 0 222.288 3.441 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000037058818 361601749 /nfs/dbraw/zinc/60/17/49/361601749.db2.gz BRCLIWGATXZXEW-ZJUUUORDSA-N 0 0 222.288 3.441 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000037058819 171390930 /nfs/dbraw/zinc/39/09/30/171390930.db2.gz BRCLIWGATXZXEW-UWVGGRQHSA-N 0 0 222.288 3.441 20 5 BGBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CC=CCC1 ZINC000037058828 361601458 /nfs/dbraw/zinc/60/14/58/361601458.db2.gz OXMXYCQMLDQVIA-NSHDSACASA-N 0 0 232.283 3.363 20 5 BGBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CC=CCC1 ZINC000037058829 182951400 /nfs/dbraw/zinc/95/14/00/182951400.db2.gz OXMXYCQMLDQVIA-LLVKDONJSA-N 0 0 232.283 3.363 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCc1ccsc1 ZINC000037058901 361601427 /nfs/dbraw/zinc/60/14/27/361601427.db2.gz UVORXCCGWVAZKQ-UHFFFAOYSA-N 0 0 234.280 3.268 20 5 BGBDRN CCC(CC)CNc1ccccc1[N+](=O)[O-] ZINC000037058902 168366150 /nfs/dbraw/zinc/36/61/50/168366150.db2.gz VQCXPDBQMGFGRM-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN CCCCNc1cc([N+](=O)[O-])ccc1C ZINC000037059600 388085831 /nfs/dbraw/zinc/08/58/31/388085831.db2.gz XCYKNYRBZIDPSV-UHFFFAOYSA-N 0 0 208.261 3.115 20 5 BGBDRN CSCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000037059651 388085751 /nfs/dbraw/zinc/08/57/51/388085751.db2.gz LPQIFSVXLFQZCE-UHFFFAOYSA-N 0 0 240.328 3.068 20 5 BGBDRN CCCCCNc1cc([N+](=O)[O-])ccc1F ZINC000037060233 712531860 /nfs/dbraw/zinc/53/18/60/712531860.db2.gz JZYFJGABTSFCGK-UHFFFAOYSA-N 0 0 226.251 3.336 20 5 BGBDRN CC[C@@H](C)CNc1cc([N+](=O)[O-])ccc1F ZINC000037060259 712531671 /nfs/dbraw/zinc/53/16/71/712531671.db2.gz BUDMKDCSCKFDKG-MRVPVSSYSA-N 0 0 226.251 3.192 20 5 BGBDRN CC[C@H](C)CNc1cc([N+](=O)[O-])ccc1F ZINC000037060260 712531816 /nfs/dbraw/zinc/53/18/16/712531816.db2.gz BUDMKDCSCKFDKG-QMMMGPOBSA-N 0 0 226.251 3.192 20 5 BGBDRN CC(C)CCNc1cc([N+](=O)[O-])ccc1F ZINC000037060358 712531800 /nfs/dbraw/zinc/53/18/00/712531800.db2.gz NNWKYFRNCOPFGM-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN O=[N+]([O-])c1ccc(F)c(NCc2ccccc2)c1 ZINC000037060406 361622096 /nfs/dbraw/zinc/62/20/96/361622096.db2.gz LIPQCHLYYNPALP-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN CCCCCNc1ccc(F)c([N+](=O)[O-])c1 ZINC000037060571 712531970 /nfs/dbraw/zinc/53/19/70/712531970.db2.gz NUTSQNLDNLKDJG-UHFFFAOYSA-N 0 0 226.251 3.336 20 5 BGBDRN CC[C@@H](C)CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000037060591 712531793 /nfs/dbraw/zinc/53/17/93/712531793.db2.gz QOGCUOMZQUKCSP-MRVPVSSYSA-N 0 0 226.251 3.192 20 5 BGBDRN CC[C@H](C)CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000037060592 712531739 /nfs/dbraw/zinc/53/17/39/712531739.db2.gz QOGCUOMZQUKCSP-QMMMGPOBSA-N 0 0 226.251 3.192 20 5 BGBDRN CC(C)CCNc1ccc(F)c([N+](=O)[O-])c1 ZINC000037060670 712531643 /nfs/dbraw/zinc/53/16/43/712531643.db2.gz HSQOPRKNWFGIPF-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN CC(C)[C@@H](C)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037060748 712531768 /nfs/dbraw/zinc/53/17/68/712531768.db2.gz ROJOBJHWMWVPFI-MRVPVSSYSA-N 0 0 226.251 3.190 20 5 BGBDRN CC(C)[C@H](C)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037060749 712531684 /nfs/dbraw/zinc/53/16/84/712531684.db2.gz ROJOBJHWMWVPFI-QMMMGPOBSA-N 0 0 226.251 3.190 20 5 BGBDRN CC(C)CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037060947 167016295 /nfs/dbraw/zinc/01/62/95/167016295.db2.gz CDUALZYNTUOIQA-UHFFFAOYSA-N 0 0 228.679 3.316 20 5 BGBDRN CCCCNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037061116 388095991 /nfs/dbraw/zinc/09/59/91/388095991.db2.gz HHZFWZCXVRSMPP-UHFFFAOYSA-N 0 0 228.679 3.460 20 5 BGBDRN CC[C@@H](C)CNc1cccc([N+](=O)[O-])c1C ZINC000037061164 324233109 /nfs/dbraw/zinc/23/31/09/324233109.db2.gz IEMBZZNZJZQGHW-SECBINFHSA-N 0 0 222.288 3.361 20 5 BGBDRN CC[C@H](C)CNc1cccc([N+](=O)[O-])c1C ZINC000037061165 324232966 /nfs/dbraw/zinc/23/29/66/324232966.db2.gz IEMBZZNZJZQGHW-VIFPVBQESA-N 0 0 222.288 3.361 20 5 BGBDRN Cc1c(NCCC(C)C)cccc1[N+](=O)[O-] ZINC000037061243 324233103 /nfs/dbraw/zinc/23/31/03/324233103.db2.gz CFYKJIWBFRQAHJ-UHFFFAOYSA-N 0 0 222.288 3.361 20 5 BGBDRN CCCCNc1cccc([N+](=O)[O-])c1C ZINC000037061405 168880032 /nfs/dbraw/zinc/88/00/32/168880032.db2.gz YJWSQRBYLZIGNN-UHFFFAOYSA-N 0 0 208.261 3.115 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000037061441 361622229 /nfs/dbraw/zinc/62/22/29/361622229.db2.gz POEJKBVLHCBNFB-NXEZZACHSA-N 0 0 222.288 3.441 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000037061442 171367572 /nfs/dbraw/zinc/36/75/72/171367572.db2.gz POEJKBVLHCBNFB-VHSXEESVSA-N 0 0 222.288 3.441 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000037061443 361622185 /nfs/dbraw/zinc/62/21/85/361622185.db2.gz POEJKBVLHCBNFB-ZJUUUORDSA-N 0 0 222.288 3.441 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000037061444 171391033 /nfs/dbraw/zinc/39/10/33/171391033.db2.gz POEJKBVLHCBNFB-UWVGGRQHSA-N 0 0 222.288 3.441 20 5 BGBDRN O=[N+]([O-])c1ccc(NC[C@H]2CC=CCC2)cc1 ZINC000037061449 361622495 /nfs/dbraw/zinc/62/24/95/361622495.db2.gz OZWFAXVBJRPTNT-NSHDSACASA-N 0 0 232.283 3.363 20 5 BGBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000037061450 361622505 /nfs/dbraw/zinc/62/25/05/361622505.db2.gz OZWFAXVBJRPTNT-LLVKDONJSA-N 0 0 232.283 3.363 20 5 BGBDRN O=[N+]([O-])c1ccc(NCc2ccsc2)cc1 ZINC000037061506 344486532 /nfs/dbraw/zinc/48/65/32/344486532.db2.gz KUYBEZZATVUTHX-UHFFFAOYSA-N 0 0 234.280 3.268 20 5 BGBDRN CCC(CC)CNc1ccc([N+](=O)[O-])cc1 ZINC000037061507 168366739 /nfs/dbraw/zinc/36/67/39/168366739.db2.gz KHIDTAAWPVVBSN-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN CSCCCNc1ccc([N+](=O)[O-])cc1C ZINC000037061667 388097091 /nfs/dbraw/zinc/09/70/91/388097091.db2.gz UPAFGJCZLOPSOU-UHFFFAOYSA-N 0 0 240.328 3.068 20 5 BGBDRN CC(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000037118193 205484094 /nfs/dbraw/zinc/48/40/94/205484094.db2.gz WEFMOEVSLXLWLO-SNVBAGLBSA-N 0 0 222.288 3.441 20 5 BGBDRN CC(C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000037118194 388129853 /nfs/dbraw/zinc/12/98/53/388129853.db2.gz WEFMOEVSLXLWLO-JTQLQIEISA-N 0 0 222.288 3.441 20 5 BGBDRN CC(C)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000037118199 361676897 /nfs/dbraw/zinc/67/68/97/361676897.db2.gz UYNSQOZQQGOTEC-SNVBAGLBSA-N 0 0 222.288 3.441 20 5 BGBDRN CC(C)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000037118200 361677455 /nfs/dbraw/zinc/67/74/55/361677455.db2.gz UYNSQOZQQGOTEC-JTQLQIEISA-N 0 0 222.288 3.441 20 5 BGBDRN C[C@H](NCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000037176698 176879494 /nfs/dbraw/zinc/87/94/94/176879494.db2.gz FNYYZFAMCCUOAX-JTQLQIEISA-N 0 0 246.266 3.039 20 5 BGBDRN C[C@@H](NCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000037176700 361720423 /nfs/dbraw/zinc/72/04/23/361720423.db2.gz FNYYZFAMCCUOAX-SNVBAGLBSA-N 0 0 246.266 3.039 20 5 BGBDRN Cc1ccc(NCC2CCC2)c([N+](=O)[O-])c1 ZINC000037180874 388206538 /nfs/dbraw/zinc/20/65/38/388206538.db2.gz LHYUWFTUKMTOLS-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NCC1CCC1 ZINC000037180876 178272585 /nfs/dbraw/zinc/27/25/85/178272585.db2.gz FJTWZNRMJOQOAH-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN O=[N+]([O-])c1ccc(NCC2CCCC2)cc1 ZINC000037251405 324484435 /nfs/dbraw/zinc/48/44/35/324484435.db2.gz IPNASHRPHWYPEH-UHFFFAOYSA-N 0 0 220.272 3.197 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCC1CCCC1 ZINC000037251429 361782489 /nfs/dbraw/zinc/78/24/89/361782489.db2.gz OCUHAQFAMPVCEF-UHFFFAOYSA-N 0 0 220.272 3.197 20 5 BGBDRN O=[N+]([O-])c1ccc(NCC2CCCC2)c(F)c1 ZINC000037253104 361783039 /nfs/dbraw/zinc/78/30/39/361783039.db2.gz IWJGEVOINWYRNK-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN CC(C)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037362205 388614945 /nfs/dbraw/zinc/61/49/45/388614945.db2.gz HAEYUKUCUMXPDL-UHFFFAOYSA-N 0 0 245.282 3.211 20 5 BGBDRN CC[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378911 363156263 /nfs/dbraw/zinc/15/62/63/363156263.db2.gz GKODVRCVNPKWNF-SECBINFHSA-N 0 0 245.282 3.353 20 5 BGBDRN CC[C@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378914 363157637 /nfs/dbraw/zinc/15/76/37/363157637.db2.gz GKODVRCVNPKWNF-VIFPVBQESA-N 0 0 245.282 3.353 20 5 BGBDRN CCCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378946 388615624 /nfs/dbraw/zinc/61/56/24/388615624.db2.gz GETYVLNXGSTFFY-UHFFFAOYSA-N 0 0 245.282 3.355 20 5 BGBDRN O=[N+]([O-])c1cccnc1NC1CCCCCC1 ZINC000037387339 182953994 /nfs/dbraw/zinc/95/39/94/182953994.db2.gz AZXNATYQMZDTGA-UHFFFAOYSA-N 0 0 235.287 3.125 20 5 BGBDRN CC(C)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037389163 384495132 /nfs/dbraw/zinc/49/51/32/384495132.db2.gz ZSEIDKPSIMRDEC-UHFFFAOYSA-N 0 0 242.706 3.088 20 5 BGBDRN O=[N+]([O-])c1cnccc1NC1CCCCCC1 ZINC000037390340 363953897 /nfs/dbraw/zinc/95/38/97/363953897.db2.gz LURGEVLCRCKFCQ-UHFFFAOYSA-N 0 0 235.287 3.125 20 5 BGBDRN Cc1ccc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000037401023 363997494 /nfs/dbraw/zinc/99/74/94/363997494.db2.gz LTRANUBJPCXSJA-UHFFFAOYSA-N 0 0 232.239 3.108 20 5 BGBDRN Cc1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000037401030 363998524 /nfs/dbraw/zinc/99/85/24/363998524.db2.gz STLLLSJTWWTAST-UHFFFAOYSA-N 0 0 220.272 3.258 20 5 BGBDRN CCN(CC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037403692 342930675 /nfs/dbraw/zinc/93/06/75/342930675.db2.gz ZOAHJMXQDJZHSV-UHFFFAOYSA-N 0 0 242.706 3.090 20 5 BGBDRN CC[NH+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037403694 363998148 /nfs/dbraw/zinc/99/81/48/363998148.db2.gz YQGWIIHFNJGHNK-UHFFFAOYSA-N 0 0 242.706 3.090 20 5 BGBDRN O=[N+]([O-])c1c(F)cccc1NC1CCCCC1 ZINC000037420445 388800672 /nfs/dbraw/zinc/80/06/72/388800672.db2.gz LLYUJOSRVRKNBM-UHFFFAOYSA-N 0 0 238.262 3.479 20 5 BGBDRN O=[N+]([O-])c1c(F)cccc1NC1CCCC1 ZINC000037420477 191069038 /nfs/dbraw/zinc/06/90/38/191069038.db2.gz GMWSDPQSIOAWJQ-UHFFFAOYSA-N 0 0 224.235 3.088 20 5 BGBDRN CCC(CC)Nc1cccc(F)c1[N+](=O)[O-] ZINC000037420482 168393717 /nfs/dbraw/zinc/39/37/17/168393717.db2.gz JEWHTHLGGWLSQM-UHFFFAOYSA-N 0 0 226.251 3.334 20 5 BGBDRN CCC[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000037420544 712629083 /nfs/dbraw/zinc/62/90/83/712629083.db2.gz QCKIXMWJMJXSGU-MRVPVSSYSA-N 0 0 226.251 3.334 20 5 BGBDRN CCC[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000037420547 712629078 /nfs/dbraw/zinc/62/90/78/712629078.db2.gz QCKIXMWJMJXSGU-QMMMGPOBSA-N 0 0 226.251 3.334 20 5 BGBDRN O=[N+]([O-])c1c(F)cccc1NCc1ccccc1 ZINC000037420556 187461911 /nfs/dbraw/zinc/46/19/11/187461911.db2.gz HNXGKBPQCSZYKO-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN CCCCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420601 364022570 /nfs/dbraw/zinc/02/25/70/364022570.db2.gz RKLXJSZTLLEWDX-UHFFFAOYSA-N 0 0 226.251 3.336 20 5 BGBDRN CC(C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420622 388800705 /nfs/dbraw/zinc/80/07/05/388800705.db2.gz UWMADKORADALNC-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN O=[N+]([O-])c1c(F)cccc1NCC1CCCC1 ZINC000037420860 712629344 /nfs/dbraw/zinc/62/93/44/712629344.db2.gz LECVBMQRCOHHKZ-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1ccc(NCc2cccs2)cc1 ZINC000037466942 182936278 /nfs/dbraw/zinc/93/62/78/182936278.db2.gz ZQHGEBQTIMUISV-UHFFFAOYSA-N 0 0 234.280 3.268 20 5 BGBDRN O=[N+]([O-])c1cc(C[NH2+]C2CCCCC2)cs1 ZINC000037472305 364052452 /nfs/dbraw/zinc/05/24/52/364052452.db2.gz CSJJGWGXCSFWFD-UHFFFAOYSA-N 0 0 240.328 3.079 20 5 BGBDRN O=[N+]([O-])c1cc(CNc2ccccc2)cs1 ZINC000037472306 182922373 /nfs/dbraw/zinc/92/23/73/182922373.db2.gz GXNYQNIMTMCPLL-UHFFFAOYSA-N 0 0 234.280 3.268 20 5 BGBDRN O=[N+]([O-])c1cccnc1NCCC1CCCCC1 ZINC000037500581 182953782 /nfs/dbraw/zinc/95/37/82/182953782.db2.gz VBEGITDJHOQBGF-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCC2CCCCC2)nc1 ZINC000037500584 364095882 /nfs/dbraw/zinc/09/58/82/364095882.db2.gz YOTOJNONGBNHGS-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN O=[N+]([O-])c1cc(F)cc(NCc2ccccc2)c1 ZINC000037666460 364455874 /nfs/dbraw/zinc/45/58/74/364455874.db2.gz DQDQVHNKWAKFFW-UHFFFAOYSA-N 0 0 246.241 3.346 20 5 BGBDRN CCCCCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000037666467 324572019 /nfs/dbraw/zinc/57/20/19/324572019.db2.gz FHIGOLGVZVYAQS-UHFFFAOYSA-N 0 0 226.251 3.336 20 5 BGBDRN CC(C)CCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000037666470 388520874 /nfs/dbraw/zinc/52/08/74/388520874.db2.gz SUUCEIAIUXUHCZ-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN O=[N+]([O-])c1cc(F)cc(NCC2CCCC2)c1 ZINC000037666552 323325685 /nfs/dbraw/zinc/32/56/85/323325685.db2.gz DGUHYJDHGOVLFM-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1cnccc1NCCC1CCCCC1 ZINC000037742013 343144434 /nfs/dbraw/zinc/14/44/34/343144434.db2.gz IEHUCCYKVSJVFF-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN CC(C)CCCNc1ccccc1[N+](=O)[O-] ZINC000037984139 166819554 /nfs/dbraw/zinc/81/95/54/166819554.db2.gz ZMTOCWXHOFACAX-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN CC(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000037984140 386594356 /nfs/dbraw/zinc/59/43/56/386594356.db2.gz FHDBKVSSNBOQHG-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN C[C@H](Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000037986055 712794438 /nfs/dbraw/zinc/79/44/38/712794438.db2.gz LSLUIGYLHZCQQA-SNVBAGLBSA-N 0 0 246.266 3.231 20 5 BGBDRN C[C@@H](Cc1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000037986072 712794730 /nfs/dbraw/zinc/79/47/30/712794730.db2.gz DZTJYEGPZHLSOS-JTQLQIEISA-N 0 0 246.266 3.231 20 5 BGBDRN C[C@H](Cc1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000037986073 712795031 /nfs/dbraw/zinc/79/50/31/712795031.db2.gz DZTJYEGPZHLSOS-SNVBAGLBSA-N 0 0 246.266 3.231 20 5 BGBDRN Cc1cc(NCCc2ccco2)ccc1[N+](=O)[O-] ZINC000037998417 178163571 /nfs/dbraw/zinc/16/35/71/178163571.db2.gz XYHJILLZSBRAJI-UHFFFAOYSA-N 0 0 246.266 3.151 20 5 BGBDRN CC(C)CCCNc1cccc([N+](=O)[O-])c1 ZINC000037998881 387907077 /nfs/dbraw/zinc/90/70/77/387907077.db2.gz BCWLXZOSSSAMGY-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NCCc1ccco1 ZINC000038059625 178272415 /nfs/dbraw/zinc/27/24/15/178272415.db2.gz HJWZNBMELFBXEO-UHFFFAOYSA-N 0 0 246.266 3.151 20 5 BGBDRN Cc1ccc(NCCc2ccco2)c([N+](=O)[O-])c1 ZINC000038059626 349305634 /nfs/dbraw/zinc/30/56/34/349305634.db2.gz QIXTYGDLKQJGQN-UHFFFAOYSA-N 0 0 246.266 3.151 20 5 BGBDRN CSCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000038063454 712804100 /nfs/dbraw/zinc/80/41/00/712804100.db2.gz PMFBBGPEZUTSAF-UHFFFAOYSA-N 0 0 217.677 3.111 20 5 BGBDRN CSCc1cc([N+](=O)[O-])ccc1Cl ZINC000038063455 342869261 /nfs/dbraw/zinc/86/92/61/342869261.db2.gz YNWYTUPZVGQGRF-UHFFFAOYSA-N 0 0 217.677 3.111 20 5 BGBDRN CN(Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000038222150 350310459 /nfs/dbraw/zinc/31/04/59/350310459.db2.gz RAYUXWZQESXSFD-UHFFFAOYSA-N 0 0 248.307 3.293 20 5 BGBDRN CC(C)=CCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000038524477 368272405 /nfs/dbraw/zinc/27/24/05/368272405.db2.gz YTRBZVGGRWVVLG-UHFFFAOYSA-N 0 0 221.256 3.248 20 5 BGBDRN Cc1cc(OCCC(C)C)ccc1[N+](=O)[O-] ZINC000038524561 350317224 /nfs/dbraw/zinc/31/72/24/350317224.db2.gz GOELBAWPVULGEI-UHFFFAOYSA-N 0 0 223.272 3.328 20 5 BGBDRN CS[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000038586398 372698462 /nfs/dbraw/zinc/69/84/62/372698462.db2.gz JFJSPKFTRNVLJP-MRVPVSSYSA-N 0 0 211.286 3.327 20 5 BGBDRN CS[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000038586403 175545357 /nfs/dbraw/zinc/54/53/57/175545357.db2.gz JFJSPKFTRNVLJP-QMMMGPOBSA-N 0 0 211.286 3.327 20 5 BGBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1 ZINC000038880189 372802520 /nfs/dbraw/zinc/80/25/20/372802520.db2.gz CEOQHPBLFQNPAH-UHFFFAOYSA-N 0 0 230.223 3.091 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@H]2C=CCCC2)cc1 ZINC000038975203 398157693 /nfs/dbraw/zinc/15/76/93/398157693.db2.gz WEJKQPNROXWDBT-JTQLQIEISA-N 0 0 218.256 3.115 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2C=CCCC2)cc1 ZINC000038975205 372834719 /nfs/dbraw/zinc/83/47/19/372834719.db2.gz WEJKQPNROXWDBT-SNVBAGLBSA-N 0 0 218.256 3.115 20 5 BGBDRN CCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000039019090 631558695 /nfs/dbraw/zinc/55/86/95/631558695.db2.gz JHDMGSZQPQXKQX-UHFFFAOYSA-N 0 0 215.636 3.037 20 5 BGBDRN CCSCCCNc1ccc([N+](=O)[O-])cc1 ZINC000039316508 372941580 /nfs/dbraw/zinc/94/15/80/372941580.db2.gz ZUKOVUAFHXHIDL-UHFFFAOYSA-N 0 0 240.328 3.150 20 5 BGBDRN O=[N+]([O-])c1cccc(OCCc2ccccc2)c1 ZINC000039382477 182947006 /nfs/dbraw/zinc/94/70/06/182947006.db2.gz JZJFXHISOOKKSL-UHFFFAOYSA-N 0 0 243.262 3.216 20 5 BGBDRN O=[N+]([O-])c1cccnc1NCCC1=CCCCC1 ZINC000040412338 373244959 /nfs/dbraw/zinc/24/49/59/373244959.db2.gz UMXRZWSWXJIFQN-UHFFFAOYSA-N 0 0 247.298 3.292 20 5 BGBDRN O=[N+]([O-])c1cnccc1NCCC1=CCCCC1 ZINC000040453923 357241663 /nfs/dbraw/zinc/24/16/63/357241663.db2.gz AAWUCLDSKYWHKE-UHFFFAOYSA-N 0 0 247.298 3.292 20 5 BGBDRN CC(C)(C)CNc1ccccc1[N+](=O)[O-] ZINC000040494024 373332601 /nfs/dbraw/zinc/33/26/01/373332601.db2.gz BWYSKNOYBOJYIN-UHFFFAOYSA-N 0 0 208.261 3.053 20 5 BGBDRN CC(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC000040494152 398196132 /nfs/dbraw/zinc/19/61/32/398196132.db2.gz GWKQCFQXYFVYPX-UHFFFAOYSA-N 0 0 208.261 3.053 20 5 BGBDRN CC(C)(C)CNc1ccc([N+](=O)[O-])cc1F ZINC000040494204 384577546 /nfs/dbraw/zinc/57/75/46/384577546.db2.gz BCOMKDCDKUOSPL-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)C ZINC000040494214 178272330 /nfs/dbraw/zinc/27/23/30/178272330.db2.gz HBZOJNAYJFWZKX-UHFFFAOYSA-N 0 0 222.288 3.361 20 5 BGBDRN Cc1cc(NCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000040494221 178156572 /nfs/dbraw/zinc/15/65/72/178156572.db2.gz JLCQLQGYOJTTFK-UHFFFAOYSA-N 0 0 222.288 3.361 20 5 BGBDRN CC(C)(C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000041051272 388431085 /nfs/dbraw/zinc/43/10/85/388431085.db2.gz ZNZIGULTKRMCKT-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN O=[N+]([O-])c1cccc(CSc2ccccn2)c1 ZINC000042141607 182945786 /nfs/dbraw/zinc/94/57/86/182945786.db2.gz NNARSOLNXLCCBN-UHFFFAOYSA-N 0 0 246.291 3.282 20 5 BGBDRN CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000042145402 368299791 /nfs/dbraw/zinc/29/97/91/368299791.db2.gz RPJJENZTVKTROL-GFCCVEGCSA-N 0 0 248.326 3.217 20 5 BGBDRN CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000042145403 368299424 /nfs/dbraw/zinc/29/94/24/368299424.db2.gz RPJJENZTVKTROL-LBPRGKRZSA-N 0 0 248.326 3.217 20 5 BGBDRN CC1(Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000042187552 342995542 /nfs/dbraw/zinc/99/55/42/342995542.db2.gz FDQUYXXOLBYRFS-UHFFFAOYSA-N 0 0 220.272 3.339 20 5 BGBDRN CC1(Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000042187713 168064819 /nfs/dbraw/zinc/06/48/19/168064819.db2.gz ZYPSSFTXPMMSCO-UHFFFAOYSA-N 0 0 220.272 3.339 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCc2ccsc2)cc1 ZINC000042240333 361973971 /nfs/dbraw/zinc/97/39/71/361973971.db2.gz UEVCUCNTNYMABC-UHFFFAOYSA-N 0 0 248.307 3.311 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCCc1ccsc1 ZINC000042240339 361973947 /nfs/dbraw/zinc/97/39/47/361973947.db2.gz NYUOSFXOHGUSFY-UHFFFAOYSA-N 0 0 248.307 3.311 20 5 BGBDRN CC[C@@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000042253437 374256416 /nfs/dbraw/zinc/25/64/16/374256416.db2.gz DIOFSKIIPODFDT-MNOVXSKESA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000042253441 374255887 /nfs/dbraw/zinc/25/58/87/374255887.db2.gz DIOFSKIIPODFDT-QWRGUYRKSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000042253445 374258072 /nfs/dbraw/zinc/25/80/72/374258072.db2.gz DIOFSKIIPODFDT-GHMZBOCLSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000042253449 374257901 /nfs/dbraw/zinc/25/79/01/374257901.db2.gz DIOFSKIIPODFDT-WDEREUQCSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000042253469 398330906 /nfs/dbraw/zinc/33/09/06/398330906.db2.gz SVDOJJPUMVBOMQ-PWSUYJOCSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000042253473 398330999 /nfs/dbraw/zinc/33/09/99/398330999.db2.gz SVDOJJPUMVBOMQ-JQWIXIFHSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000042253477 398330970 /nfs/dbraw/zinc/33/09/70/398330970.db2.gz SVDOJJPUMVBOMQ-ZYHUDNBSSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000042253481 398330997 /nfs/dbraw/zinc/33/09/97/398330997.db2.gz SVDOJJPUMVBOMQ-CMPLNLGQSA-N 0 0 249.314 3.371 20 5 BGBDRN CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000042389760 361989265 /nfs/dbraw/zinc/98/92/65/361989265.db2.gz RFQIQDIAWTUKKG-UHFFFAOYSA-N 0 0 248.101 3.079 20 5 BGBDRN CCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000042571737 362009549 /nfs/dbraw/zinc/00/95/49/362009549.db2.gz DJFCHFBACZNDKM-SNVBAGLBSA-N 0 0 237.303 3.371 20 5 BGBDRN CCCCC[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000042571740 362009801 /nfs/dbraw/zinc/00/98/01/362009801.db2.gz DJFCHFBACZNDKM-JTQLQIEISA-N 0 0 237.303 3.371 20 5 BGBDRN CCCCC[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000042571816 362009700 /nfs/dbraw/zinc/00/97/00/362009700.db2.gz JRLXOPNKQYLNDE-SNVBAGLBSA-N 0 0 237.303 3.371 20 5 BGBDRN CCCCC[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000042571818 168743573 /nfs/dbraw/zinc/74/35/73/168743573.db2.gz JRLXOPNKQYLNDE-JTQLQIEISA-N 0 0 237.303 3.371 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000042804462 176077437 /nfs/dbraw/zinc/07/74/37/176077437.db2.gz DADDHEIAQMSIKG-GHMZBOCLSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000042804465 177080420 /nfs/dbraw/zinc/08/04/20/177080420.db2.gz DADDHEIAQMSIKG-WDEREUQCSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@@H]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000042804469 176085554 /nfs/dbraw/zinc/08/55/54/176085554.db2.gz DADDHEIAQMSIKG-MNOVXSKESA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000042804473 177086428 /nfs/dbraw/zinc/08/64/28/177086428.db2.gz DADDHEIAQMSIKG-QWRGUYRKSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000042804555 176077789 /nfs/dbraw/zinc/07/77/89/176077789.db2.gz UOXVTFGDIRMFKP-GHMZBOCLSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000042804560 177081366 /nfs/dbraw/zinc/08/13/66/177081366.db2.gz UOXVTFGDIRMFKP-WDEREUQCSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000042804564 176085589 /nfs/dbraw/zinc/08/55/89/176085589.db2.gz UOXVTFGDIRMFKP-MNOVXSKESA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000042804569 177086049 /nfs/dbraw/zinc/08/60/49/177086049.db2.gz UOXVTFGDIRMFKP-QWRGUYRKSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000042865037 176077274 /nfs/dbraw/zinc/07/72/74/176077274.db2.gz DOZCZMFEUUEJNU-GHMZBOCLSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000042865040 177080418 /nfs/dbraw/zinc/08/04/18/177080418.db2.gz DOZCZMFEUUEJNU-WDEREUQCSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@@H]1CCCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000042865043 176085505 /nfs/dbraw/zinc/08/55/05/176085505.db2.gz DOZCZMFEUUEJNU-MNOVXSKESA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000042865046 177086134 /nfs/dbraw/zinc/08/61/34/177086134.db2.gz DOZCZMFEUUEJNU-QWRGUYRKSA-N 0 0 249.314 3.228 20 5 BGBDRN CSCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000043570052 385014747 /nfs/dbraw/zinc/01/47/47/385014747.db2.gz WQKIXZDFAHQYED-UHFFFAOYSA-N 0 0 240.328 3.068 20 5 BGBDRN Cc1cc(N[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000044367639 178180094 /nfs/dbraw/zinc/18/00/94/178180094.db2.gz YPQGXZILSMONIO-LLVKDONJSA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1cc(N[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000044367644 178189131 /nfs/dbraw/zinc/18/91/31/178189131.db2.gz YPQGXZILSMONIO-NSHDSACASA-N 0 0 220.272 3.114 20 5 BGBDRN CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000044367798 187394457 /nfs/dbraw/zinc/39/44/57/187394457.db2.gz FLKYYJLRMMMOJZ-JTQLQIEISA-N 0 0 240.690 3.459 20 5 BGBDRN CC1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000044367803 345039696 /nfs/dbraw/zinc/03/96/96/345039696.db2.gz FLKYYJLRMMMOJZ-SNVBAGLBSA-N 0 0 240.690 3.459 20 5 BGBDRN CC1(C)C[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044367808 187232447 /nfs/dbraw/zinc/23/24/47/187232447.db2.gz WMZRBOSEJUDQME-JTQLQIEISA-N 0 0 240.690 3.459 20 5 BGBDRN CC1(C)C[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044367813 188085297 /nfs/dbraw/zinc/08/52/97/188085297.db2.gz WMZRBOSEJUDQME-SNVBAGLBSA-N 0 0 240.690 3.459 20 5 BGBDRN CCCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000044460310 188123684 /nfs/dbraw/zinc/12/36/84/188123684.db2.gz ZODFFRWPRHUSMK-UHFFFAOYSA-N 0 0 229.663 3.427 20 5 BGBDRN O=[N+]([O-])c1ccc(Cl)cc1NC1CCC1 ZINC000044480991 632110529 /nfs/dbraw/zinc/11/05/29/632110529.db2.gz ODVBTFHPFAFOSL-UHFFFAOYSA-N 0 0 226.663 3.213 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCC2)c(Cl)c1 ZINC000044480993 322840848 /nfs/dbraw/zinc/84/08/48/322840848.db2.gz MKHLADLPCQXERR-UHFFFAOYSA-N 0 0 226.663 3.213 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1NC1CCC1 ZINC000044480997 322840915 /nfs/dbraw/zinc/84/09/15/322840915.db2.gz DNRIKVJCZVAPKP-UHFFFAOYSA-N 0 0 226.663 3.213 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC1(C)C ZINC000045135739 178273086 /nfs/dbraw/zinc/27/30/86/178273086.db2.gz ZJNLIZYBANQEFL-LLVKDONJSA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC1(C)C ZINC000045135740 178273235 /nfs/dbraw/zinc/27/32/35/178273235.db2.gz ZJNLIZYBANQEFL-NSHDSACASA-N 0 0 220.272 3.114 20 5 BGBDRN CN(Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000047264497 490248708 /nfs/dbraw/zinc/24/87/08/490248708.db2.gz UTGDKJQAIGDDNM-UHFFFAOYSA-N 0 0 248.307 3.293 20 5 BGBDRN C[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000047264586 343388493 /nfs/dbraw/zinc/38/84/93/343388493.db2.gz NALDJLPEGKGORP-SECBINFHSA-N 0 0 240.328 3.031 20 5 BGBDRN C[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000047264588 343388359 /nfs/dbraw/zinc/38/83/59/343388359.db2.gz NALDJLPEGKGORP-VIFPVBQESA-N 0 0 240.328 3.031 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1NCC1CCCC1 ZINC000047848158 343013121 /nfs/dbraw/zinc/01/31/21/343013121.db2.gz NRDRDNBHTJHBQC-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCC2CCCCC2)cn1 ZINC000047848178 322844758 /nfs/dbraw/zinc/84/47/58/322844758.db2.gz BPMHTNUIMQPQFI-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN CC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000047873441 170968227 /nfs/dbraw/zinc/96/82/27/170968227.db2.gz YHMNOSZOVZEEPV-PWSUYJOCSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000047873442 343012850 /nfs/dbraw/zinc/01/28/50/343012850.db2.gz YHMNOSZOVZEEPV-JQWIXIFHSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000047873443 343012865 /nfs/dbraw/zinc/01/28/65/343012865.db2.gz YHMNOSZOVZEEPV-ZYHUDNBSSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000047873444 343012500 /nfs/dbraw/zinc/01/25/00/343012500.db2.gz YHMNOSZOVZEEPV-CMPLNLGQSA-N 0 0 249.314 3.371 20 5 BGBDRN CCC[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000048071109 323114653 /nfs/dbraw/zinc/11/46/53/323114653.db2.gz YXWFXJYPOKOMLP-LLVKDONJSA-N 0 0 236.315 3.215 20 5 BGBDRN CCC[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000048071110 323114726 /nfs/dbraw/zinc/11/47/26/323114726.db2.gz YXWFXJYPOKOMLP-NSHDSACASA-N 0 0 236.315 3.215 20 5 BGBDRN O=[N+]([O-])c1ccc(Nc2ccccc2)c(F)c1 ZINC000048462310 353156547 /nfs/dbraw/zinc/15/65/47/353156547.db2.gz XJPQXMSDBWSOAJ-UHFFFAOYSA-N 0 0 232.214 3.478 20 5 BGBDRN O=C(CC1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000048506910 386576586 /nfs/dbraw/zinc/57/65/86/386576586.db2.gz PAGFETFXBHLXPR-UHFFFAOYSA-N 0 0 248.282 3.114 20 5 BGBDRN O=[N+]([O-])c1c(F)cccc1N1CCCCCC1 ZINC000048567851 188399777 /nfs/dbraw/zinc/39/97/77/188399777.db2.gz GENCOQCJCNVZBM-UHFFFAOYSA-N 0 0 238.262 3.114 20 5 BGBDRN CCCCN(CC)c1cccc(F)c1[N+](=O)[O-] ZINC000048802027 386580424 /nfs/dbraw/zinc/58/04/24/386580424.db2.gz GZPCXMWCCUZAMP-UHFFFAOYSA-N 0 0 240.278 3.360 20 5 BGBDRN CC(C)CCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000048805734 386581884 /nfs/dbraw/zinc/58/18/84/386581884.db2.gz HCNLEHBGYSCPHI-UHFFFAOYSA-N 0 0 240.278 3.216 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCCCC2)s1 ZINC000048999376 358663483 /nfs/dbraw/zinc/66/34/83/358663483.db2.gz HAJJMXUTRPYVQJ-UHFFFAOYSA-N 0 0 226.301 3.401 20 5 BGBDRN O=[N+]([O-])c1ccc(NCc2cccs2)s1 ZINC000048999410 353163102 /nfs/dbraw/zinc/16/31/02/353163102.db2.gz ZKOCXZVMLLMUHQ-UHFFFAOYSA-N 0 0 240.309 3.330 20 5 BGBDRN O=[N+]([O-])c1ccc(NCc2ccsc2)s1 ZINC000048999730 353163004 /nfs/dbraw/zinc/16/30/04/353163004.db2.gz KMOCDBTZRMFNNO-UHFFFAOYSA-N 0 0 240.309 3.330 20 5 BGBDRN O=[N+]([O-])c1ccc(NCC2CCCC2)s1 ZINC000049000220 353163399 /nfs/dbraw/zinc/16/33/99/353163399.db2.gz VGVPNNRGWPXUPO-UHFFFAOYSA-N 0 0 226.301 3.258 20 5 BGBDRN O=[N+]([O-])c1sccc1NCc1ccccc1 ZINC000049056490 355371365 /nfs/dbraw/zinc/37/13/65/355371365.db2.gz UHJDOBJFWOAPAX-UHFFFAOYSA-N 0 0 234.280 3.268 20 5 BGBDRN O=[N+]([O-])c1sccc1NC1CCCCC1 ZINC000049056492 355371295 /nfs/dbraw/zinc/37/12/95/355371295.db2.gz PLGIGBJUDQBZLB-UHFFFAOYSA-N 0 0 226.301 3.401 20 5 BGBDRN O=[N+]([O-])c1sccc1NCCc1ccccc1 ZINC000049056494 355371342 /nfs/dbraw/zinc/37/13/42/355371342.db2.gz IWTLYYUCISQULQ-UHFFFAOYSA-N 0 0 248.307 3.311 20 5 BGBDRN O=[N+]([O-])c1sccc1NC1CCCC1 ZINC000049056506 355370898 /nfs/dbraw/zinc/37/08/98/355370898.db2.gz IPCAMOPXRZMPIG-UHFFFAOYSA-N 0 0 212.274 3.011 20 5 BGBDRN O=[N+]([O-])c1sccc1NCC1CCCC1 ZINC000049057398 355381634 /nfs/dbraw/zinc/38/16/34/355381634.db2.gz UOPUOMKAIBVDON-UHFFFAOYSA-N 0 0 226.301 3.258 20 5 BGBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000049099787 386579581 /nfs/dbraw/zinc/57/95/81/386579581.db2.gz NLPYSUDZTNFEFJ-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN O=[N+]([O-])c1ccc(NC[C@H]2CC=CCC2)s1 ZINC000049281686 356410149 /nfs/dbraw/zinc/41/01/49/356410149.db2.gz JLQDUPQBYWKPIE-VIFPVBQESA-N 0 0 238.312 3.425 20 5 BGBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC=CCC2)s1 ZINC000049281688 356411052 /nfs/dbraw/zinc/41/10/52/356411052.db2.gz JLQDUPQBYWKPIE-SECBINFHSA-N 0 0 238.312 3.425 20 5 BGBDRN O=[N+]([O-])c1sccc1NC[C@H]1CC=CCC1 ZINC000049281702 356410956 /nfs/dbraw/zinc/41/09/56/356410956.db2.gz WYEWVQVIYYSWQJ-VIFPVBQESA-N 0 0 238.312 3.425 20 5 BGBDRN O=[N+]([O-])c1sccc1NC[C@@H]1CC=CCC1 ZINC000049281704 356410973 /nfs/dbraw/zinc/41/09/73/356410973.db2.gz WYEWVQVIYYSWQJ-SECBINFHSA-N 0 0 238.312 3.425 20 5 BGBDRN Cc1cccc(Sc2ncccc2[N+](=O)[O-])c1 ZINC000049389862 179176845 /nfs/dbraw/zinc/17/68/45/179176845.db2.gz VOMSFDNPHKCOJQ-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000049776446 384677892 /nfs/dbraw/zinc/67/78/92/384677892.db2.gz KADVKNZLFUCANR-GHMZBOCLSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000049776447 384683315 /nfs/dbraw/zinc/68/33/15/384683315.db2.gz KADVKNZLFUCANR-WDEREUQCSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000049776448 384682157 /nfs/dbraw/zinc/68/21/57/384682157.db2.gz KADVKNZLFUCANR-MNOVXSKESA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000049776449 384681950 /nfs/dbraw/zinc/68/19/50/384681950.db2.gz KADVKNZLFUCANR-QWRGUYRKSA-N 0 0 249.314 3.228 20 5 BGBDRN Cc1ccc(NC[C@@H]2CCC=CO2)c([N+](=O)[O-])c1 ZINC000050268552 178760497 /nfs/dbraw/zinc/76/04/97/178760497.db2.gz HVFDNIQMKUXWHF-NSHDSACASA-N 0 0 248.282 3.008 20 5 BGBDRN Cc1ccc(NC[C@H]2CCC=CO2)c([N+](=O)[O-])c1 ZINC000050268553 643671112 /nfs/dbraw/zinc/67/11/12/643671112.db2.gz HVFDNIQMKUXWHF-LLVKDONJSA-N 0 0 248.282 3.008 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC=CO1 ZINC000050268566 643670767 /nfs/dbraw/zinc/67/07/67/643670767.db2.gz KKMIJBZGAGPFMJ-LBPRGKRZSA-N 0 0 248.282 3.008 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC=CO1 ZINC000050268567 643671695 /nfs/dbraw/zinc/67/16/95/643671695.db2.gz KKMIJBZGAGPFMJ-GFCCVEGCSA-N 0 0 248.282 3.008 20 5 BGBDRN Cc1cc(NC[C@@H]2CCC=CO2)ccc1[N+](=O)[O-] ZINC000050269643 643672570 /nfs/dbraw/zinc/67/25/70/643672570.db2.gz HCXPPLDMEUEOES-LBPRGKRZSA-N 0 0 248.282 3.008 20 5 BGBDRN Cc1cc(NC[C@H]2CCC=CO2)ccc1[N+](=O)[O-] ZINC000050269644 643673021 /nfs/dbraw/zinc/67/30/21/643673021.db2.gz HCXPPLDMEUEOES-GFCCVEGCSA-N 0 0 248.282 3.008 20 5 BGBDRN O=[N+]([O-])c1ccc(F)c(NCC2CCCC2)c1 ZINC000050271735 711591140 /nfs/dbraw/zinc/59/11/40/711591140.db2.gz SAOTVXKCDWUPSD-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1cc(NCC2CCCC2)ccc1F ZINC000050271736 182925184 /nfs/dbraw/zinc/92/51/84/182925184.db2.gz RQHWZFJRAHTFDD-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN CC(C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351815 535171142 /nfs/dbraw/zinc/17/11/42/535171142.db2.gz FDZPOFWDPIWSTP-UHFFFAOYSA-N 0 0 228.679 3.316 20 5 BGBDRN O=[N+]([O-])c1cccc(Cl)c1NCC1CC1 ZINC000050351826 344677523 /nfs/dbraw/zinc/67/75/23/344677523.db2.gz OGLREIZKPMCDCQ-UHFFFAOYSA-N 0 0 226.663 3.070 20 5 BGBDRN CCC[C@H](CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050401087 188218363 /nfs/dbraw/zinc/21/83/63/188218363.db2.gz QOGZROKVQRPUSP-LBPRGKRZSA-N 0 0 236.315 3.263 20 5 BGBDRN O=[N+]([O-])c1cccc(Cl)c1NC1CCC1 ZINC000052211320 385708214 /nfs/dbraw/zinc/70/82/14/385708214.db2.gz ROQBDVRYTPVBMP-UHFFFAOYSA-N 0 0 226.663 3.213 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCC2)c2ccncc21 ZINC000052211415 385707660 /nfs/dbraw/zinc/70/76/60/385707660.db2.gz NPNGTVRROTUPPV-UHFFFAOYSA-N 0 0 243.266 3.107 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCC2)c2cccnc21 ZINC000052211425 350967521 /nfs/dbraw/zinc/96/75/21/350967521.db2.gz CLASQSNFOYFXPJ-UHFFFAOYSA-N 0 0 243.266 3.107 20 5 BGBDRN O=[N+]([O-])c1c(NC2CCC2)ccc2ncccc21 ZINC000052211545 182920944 /nfs/dbraw/zinc/92/09/44/182920944.db2.gz JNDONNZMTSBZNZ-UHFFFAOYSA-N 0 0 243.266 3.107 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCC2)c2ncccc12 ZINC000052211568 182935310 /nfs/dbraw/zinc/93/53/10/182935310.db2.gz LXHVIXFDWIDKRV-UHFFFAOYSA-N 0 0 243.266 3.107 20 5 BGBDRN O=[N+]([O-])c1ccc2nc(NC3CCC3)ccc2c1 ZINC000052211571 182943104 /nfs/dbraw/zinc/94/31/04/182943104.db2.gz URHGXOGSCRLXBE-UHFFFAOYSA-N 0 0 243.266 3.107 20 5 BGBDRN CC(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052246087 350975760 /nfs/dbraw/zinc/97/57/60/350975760.db2.gz FGQBBXUWRFTPTK-UHFFFAOYSA-N 0 0 236.315 3.073 20 5 BGBDRN C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052290706 176446859 /nfs/dbraw/zinc/44/68/59/176446859.db2.gz KFUNGKOHAKHVDE-LHLIQPBNSA-N 0 0 226.663 3.069 20 5 BGBDRN C[C@@H]1C[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000052291896 385722953 /nfs/dbraw/zinc/72/29/53/385722953.db2.gz DSMCDSQTCMCCAI-HZGVNTEJSA-N 0 0 226.663 3.069 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000052340869 176934461 /nfs/dbraw/zinc/93/44/61/176934461.db2.gz YEIPSAYMDOQDOE-JTQLQIEISA-N 0 0 249.314 3.371 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000052340871 385726370 /nfs/dbraw/zinc/72/63/70/385726370.db2.gz YEIPSAYMDOQDOE-SNVBAGLBSA-N 0 0 249.314 3.371 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC1CCCCC1 ZINC000052812156 178274321 /nfs/dbraw/zinc/27/43/21/178274321.db2.gz FTWROEIZONPFDR-UHFFFAOYSA-N 0 0 235.287 3.043 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCC[C@@H]1C ZINC000052812222 178275333 /nfs/dbraw/zinc/27/53/33/178275333.db2.gz UQVNZRXZAPFSLB-JOYOIKCWSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@H]1C ZINC000052812223 178275536 /nfs/dbraw/zinc/27/55/36/178275536.db2.gz UQVNZRXZAPFSLB-CABZTGNLSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCC[C@H]1C ZINC000052812224 178275127 /nfs/dbraw/zinc/27/51/27/178275127.db2.gz UQVNZRXZAPFSLB-BXKDBHETSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@H]1C ZINC000052812225 178275389 /nfs/dbraw/zinc/27/53/89/178275389.db2.gz UQVNZRXZAPFSLB-SKDRFNHKSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC1CCCCCC1 ZINC000052812270 178274262 /nfs/dbraw/zinc/27/42/62/178274262.db2.gz HVMWKDWLYOPSDV-UHFFFAOYSA-N 0 0 249.314 3.433 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H](C)C1 ZINC000052812281 178275054 /nfs/dbraw/zinc/27/50/54/178275054.db2.gz HUXCBORKALELGD-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H](C)C1 ZINC000052812282 178275413 /nfs/dbraw/zinc/27/54/13/178275413.db2.gz HUXCBORKALELGD-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H](C)C1 ZINC000052812283 178275303 /nfs/dbraw/zinc/27/53/03/178275303.db2.gz HUXCBORKALELGD-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H](C)C1 ZINC000052812284 178275372 /nfs/dbraw/zinc/27/53/72/178275372.db2.gz HUXCBORKALELGD-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NCC1CCCCC1 ZINC000052812289 178274634 /nfs/dbraw/zinc/27/46/34/178274634.db2.gz SFQHRRJHVGLMDB-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NCCC1CCCC1 ZINC000052812406 178274475 /nfs/dbraw/zinc/27/44/75/178274475.db2.gz HNHKXYJBYNSEFP-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NCCCC(C)C ZINC000052812519 178274464 /nfs/dbraw/zinc/27/44/64/178274464.db2.gz PKNDKDCKDJNSMO-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812604 385987829 /nfs/dbraw/zinc/98/78/29/385987829.db2.gz QTKKIRSCFIYARJ-PSASIEDQSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812605 171367513 /nfs/dbraw/zinc/36/75/13/171367513.db2.gz QTKKIRSCFIYARJ-WCBMZHEXSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812606 170792299 /nfs/dbraw/zinc/79/22/99/170792299.db2.gz QTKKIRSCFIYARJ-SCZZXKLOSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812607 171392191 /nfs/dbraw/zinc/39/21/91/171392191.db2.gz QTKKIRSCFIYARJ-WPRPVWTQSA-N 0 0 237.303 3.145 20 5 BGBDRN CCC[C@@H](CC)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812873 385988428 /nfs/dbraw/zinc/98/84/28/385988428.db2.gz OQHFRZGDMPTFMN-SNVBAGLBSA-N 0 0 237.303 3.289 20 5 BGBDRN CCC[C@H](CC)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812874 322854834 /nfs/dbraw/zinc/85/48/34/322854834.db2.gz OQHFRZGDMPTFMN-JTQLQIEISA-N 0 0 237.303 3.289 20 5 BGBDRN CCCCC[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297584 634143545 /nfs/dbraw/zinc/14/35/45/634143545.db2.gz OWVHASLLIFSWNC-SNVBAGLBSA-N 0 0 237.303 3.371 20 5 BGBDRN CCCCC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297586 634145270 /nfs/dbraw/zinc/14/52/70/634145270.db2.gz OWVHASLLIFSWNC-JTQLQIEISA-N 0 0 237.303 3.371 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000053297808 356241964 /nfs/dbraw/zinc/24/19/64/356241964.db2.gz OTWYLMXPBSLGGQ-JTQLQIEISA-N 0 0 249.314 3.371 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000053297812 356241959 /nfs/dbraw/zinc/24/19/59/356241959.db2.gz OTWYLMXPBSLGGQ-SNVBAGLBSA-N 0 0 249.314 3.371 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1NCC1CCC1 ZINC000053734388 357162106 /nfs/dbraw/zinc/16/21/06/357162106.db2.gz RFTCWHJMHPPNAR-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN C[C@@H]1CCCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000054269400 132233712 /nfs/dbraw/zinc/23/37/12/132233712.db2.gz IGDKCYRGJUYDIS-SECBINFHSA-N 0 0 238.262 3.113 20 5 BGBDRN C[C@H]1CCCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000054269402 132233653 /nfs/dbraw/zinc/23/36/53/132233653.db2.gz IGDKCYRGJUYDIS-VIFPVBQESA-N 0 0 238.262 3.113 20 5 BGBDRN CCCN(c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000054269429 169182314 /nfs/dbraw/zinc/18/23/14/169182314.db2.gz GLNALXZOAJQZDT-UHFFFAOYSA-N 0 0 238.262 3.113 20 5 BGBDRN CC[C@@H](C)CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269441 388024476 /nfs/dbraw/zinc/02/44/76/388024476.db2.gz WBZCQGDRJOFYDV-SECBINFHSA-N 0 0 240.278 3.216 20 5 BGBDRN CC[C@H](C)CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269443 171275822 /nfs/dbraw/zinc/27/58/22/171275822.db2.gz WBZCQGDRJOFYDV-VIFPVBQESA-N 0 0 240.278 3.216 20 5 BGBDRN CC(C)[C@@H](C)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269470 636297101 /nfs/dbraw/zinc/29/71/01/636297101.db2.gz DDTNPKNYDJGRPM-SECBINFHSA-N 0 0 240.278 3.215 20 5 BGBDRN CC(C)[C@H](C)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269471 636296749 /nfs/dbraw/zinc/29/67/49/636296749.db2.gz DDTNPKNYDJGRPM-VIFPVBQESA-N 0 0 240.278 3.215 20 5 BGBDRN CCC[C@@H](C)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269474 636296978 /nfs/dbraw/zinc/29/69/78/636296978.db2.gz BGAURTYNMKEWMO-SECBINFHSA-N 0 0 240.278 3.359 20 5 BGBDRN CCC[C@H](C)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269477 636297260 /nfs/dbraw/zinc/29/72/60/636297260.db2.gz BGAURTYNMKEWMO-VIFPVBQESA-N 0 0 240.278 3.359 20 5 BGBDRN CN(CC(C)(C)C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269697 388023871 /nfs/dbraw/zinc/02/38/71/388023871.db2.gz MMBANDXUCAONPD-UHFFFAOYSA-N 0 0 240.278 3.216 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCCC2)s1 ZINC000054389457 350199269 /nfs/dbraw/zinc/19/92/69/350199269.db2.gz WHXDYESKLJUMDS-UHFFFAOYSA-N 0 0 212.274 3.011 20 5 BGBDRN CC[C@@H](C)CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000054474379 535525949 /nfs/dbraw/zinc/52/59/49/535525949.db2.gz NTDPVTHCYSIJKD-MRVPVSSYSA-N 0 0 226.251 3.192 20 5 BGBDRN CC[C@H](C)CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000054474382 134765321 /nfs/dbraw/zinc/76/53/21/134765321.db2.gz NTDPVTHCYSIJKD-QMMMGPOBSA-N 0 0 226.251 3.192 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000054613579 134770014 /nfs/dbraw/zinc/77/00/14/134770014.db2.gz WYAVLDCHTTYIJF-JTQLQIEISA-N 0 0 243.266 3.163 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000054613584 363519313 /nfs/dbraw/zinc/51/93/13/363519313.db2.gz WYAVLDCHTTYIJF-SNVBAGLBSA-N 0 0 243.266 3.163 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCCCCC2)cn1 ZINC000054614339 388427269 /nfs/dbraw/zinc/42/72/69/388427269.db2.gz KPVCVBWCSLZVGF-UHFFFAOYSA-N 0 0 235.287 3.125 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCC2=CCCCC2)cn1 ZINC000054614366 363519497 /nfs/dbraw/zinc/51/94/97/363519497.db2.gz VRAVUMHYEWBSOK-UHFFFAOYSA-N 0 0 247.298 3.292 20 5 BGBDRN C[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1C ZINC000054614540 176145257 /nfs/dbraw/zinc/14/52/57/176145257.db2.gz BVNCAWAYZGZXCR-FOGDFJRCSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1C ZINC000054614548 176124474 /nfs/dbraw/zinc/12/44/74/176124474.db2.gz BVNCAWAYZGZXCR-CKYFFXLPSA-N 0 0 249.314 3.226 20 5 BGBDRN CCCCN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000057366764 398320600 /nfs/dbraw/zinc/32/06/00/398320600.db2.gz XRGYDNDZLZVRSQ-UHFFFAOYSA-N 0 0 242.706 3.485 20 5 BGBDRN CCN(c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000057366882 398320387 /nfs/dbraw/zinc/32/03/87/398320387.db2.gz LGJMMDXTYFGWNF-UHFFFAOYSA-N 0 0 249.314 3.149 20 5 BGBDRN O=[N+]([O-])c1cccnc1SC1CCCC1 ZINC000057367027 398320483 /nfs/dbraw/zinc/32/04/83/398320483.db2.gz DAHCQISRSIEVAN-UHFFFAOYSA-N 0 0 224.285 3.025 20 5 BGBDRN CC(C)(C)CCNc1ccccc1[N+](=O)[O-] ZINC000057385941 398320478 /nfs/dbraw/zinc/32/04/78/398320478.db2.gz IPSYKDASQMHFKZ-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN CC(C)(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000057385942 398320406 /nfs/dbraw/zinc/32/04/06/398320406.db2.gz LQQACBUHIHXSSY-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN CCN(c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000057681830 368497883 /nfs/dbraw/zinc/49/78/83/368497883.db2.gz LHTZDWOMECDEJR-UHFFFAOYSA-N 0 0 249.314 3.149 20 5 BGBDRN CC1CCC(N(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000057681910 168159604 /nfs/dbraw/zinc/15/96/04/168159604.db2.gz QZOSFRCEFNDBAX-UHFFFAOYSA-N 0 0 249.314 3.005 20 5 BGBDRN CCCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000057941717 388370784 /nfs/dbraw/zinc/37/07/84/388370784.db2.gz LGEUGPOQHYXLJY-UHFFFAOYSA-N 0 0 229.663 3.427 20 5 BGBDRN CC(C)(C)CCNc1cccc([N+](=O)[O-])c1 ZINC000058000491 398321267 /nfs/dbraw/zinc/32/12/67/398321267.db2.gz GDTNGYUSATYDKX-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN Cc1cc(NCc2ccoc2)ccc1[N+](=O)[O-] ZINC000058002900 323942860 /nfs/dbraw/zinc/94/28/60/323942860.db2.gz GAKXLDSZRZVTIT-UHFFFAOYSA-N 0 0 232.239 3.108 20 5 BGBDRN CC1CCC(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000058610055 168157103 /nfs/dbraw/zinc/15/71/03/168157103.db2.gz UAQYKZICDALOSB-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN CC1CCC(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000058610059 358912854 /nfs/dbraw/zinc/91/28/54/358912854.db2.gz JHFDBODYWUDHMP-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN CC1CCC(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000058610070 168156430 /nfs/dbraw/zinc/15/64/30/168156430.db2.gz DEVZDEBYYGAXJO-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN CCCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000058612640 398326644 /nfs/dbraw/zinc/32/66/44/398326644.db2.gz ZOQASXMWPUUVNK-UHFFFAOYSA-N 0 0 229.663 3.427 20 5 BGBDRN CCC(C)(C)Nc1ccc([N+](=O)[O-])cc1F ZINC000058789649 168302629 /nfs/dbraw/zinc/30/26/29/168302629.db2.gz TYOFRABZTQZNNJ-UHFFFAOYSA-N 0 0 226.251 3.334 20 5 BGBDRN Cc1cccc(COc2cccc([N+](=O)[O-])c2)c1 ZINC000058856870 372103571 /nfs/dbraw/zinc/10/35/71/372103571.db2.gz UVFDNHUPFLLQSG-UHFFFAOYSA-N 0 0 243.262 3.482 20 5 BGBDRN Cc1cc(N2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000059370720 368531734 /nfs/dbraw/zinc/53/17/34/368531734.db2.gz UXKKOKCSNCNWMK-PHIMTYICSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000059370724 368532113 /nfs/dbraw/zinc/53/21/13/368532113.db2.gz UXKKOKCSNCNWMK-QWRGUYRKSA-N 0 0 248.326 3.386 20 5 BGBDRN 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632915819 /nfs/dbraw/zinc/91/58/19/632915819.db2.gz PAAZSBXDVZSYTI-UHFFFAOYSA-N 0 0 237.284 3.025 20 5 BGBDRN Cc1cccc(C(=O)OC2CCCC2)c1[N+](=O)[O-] ZINC000066775804 633227818 /nfs/dbraw/zinc/22/78/18/633227818.db2.gz WOWORQNFYFXHLL-UHFFFAOYSA-N 0 0 249.266 3.003 20 5 BGBDRN Cc1cccc(Nc2ccncc2[N+](=O)[O-])c1 ZINC000066796259 370611102 /nfs/dbraw/zinc/61/11/02/370611102.db2.gz VFIXJKRUHLRNBA-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN Cc1ccc(Nc2ccncc2[N+](=O)[O-])cc1F ZINC000066796328 370611174 /nfs/dbraw/zinc/61/11/74/370611174.db2.gz MLJNEYNHRMWOMK-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN CCc1cccc(Oc2ccncc2[N+](=O)[O-])c1 ZINC000066796381 370610833 /nfs/dbraw/zinc/61/08/33/370610833.db2.gz HXKWGZYQICEDBH-UHFFFAOYSA-N 0 0 244.250 3.345 20 5 BGBDRN CN(CC1CCCCC1)c1ccncc1[N+](=O)[O-] ZINC000066808136 344108324 /nfs/dbraw/zinc/10/83/24/344108324.db2.gz OAHGMDIFIUMQTM-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN Cc1ccccc1Sc1ccncc1[N+](=O)[O-] ZINC000066810233 370612505 /nfs/dbraw/zinc/61/25/05/370612505.db2.gz VSLVCXSZWKAQTG-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN Cc1cccc(Sc2ccncc2[N+](=O)[O-])c1 ZINC000066810919 370612082 /nfs/dbraw/zinc/61/20/82/370612082.db2.gz YOSPTQJJGTWTJX-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN CC(C)=CC(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000066877933 634507197 /nfs/dbraw/zinc/50/71/97/634507197.db2.gz WNJNQLDHPBUYSD-JTQLQIEISA-N 0 0 249.266 3.165 20 5 BGBDRN CC(C)=CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000066877936 634505847 /nfs/dbraw/zinc/50/58/47/634505847.db2.gz WNJNQLDHPBUYSD-SNVBAGLBSA-N 0 0 249.266 3.165 20 5 BGBDRN CCCC[C@H](CC)Cn1c(C)ncc1[N+](=O)[O-] ZINC000067807625 370705927 /nfs/dbraw/zinc/70/59/27/370705927.db2.gz QJFMAIYJCJNTEN-NSHDSACASA-N 0 0 239.319 3.316 20 5 BGBDRN CCC(CC)Nc1ccsc1[N+](=O)[O-] ZINC000067905575 370722610 /nfs/dbraw/zinc/72/26/10/370722610.db2.gz MIPKOMPCNLKQPO-UHFFFAOYSA-N 0 0 214.290 3.257 20 5 BGBDRN CC[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000067912795 370722784 /nfs/dbraw/zinc/72/27/84/370722784.db2.gz WTNRHJHXYHDLLG-SECBINFHSA-N 0 0 240.328 3.283 20 5 BGBDRN CC(C)(C)CNc1ccsc1[N+](=O)[O-] ZINC000067914247 372889304 /nfs/dbraw/zinc/88/93/04/372889304.db2.gz QOSZRXLKJCDONX-UHFFFAOYSA-N 0 0 214.290 3.114 20 5 BGBDRN Cc1ccc(CN(C)c2ccccc2[N+](=O)[O-])o1 ZINC000067949138 368708698 /nfs/dbraw/zinc/70/86/98/368708698.db2.gz AZRDTOVIIOJKMV-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN CC[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067949412 170760007 /nfs/dbraw/zinc/76/00/07/170760007.db2.gz DWBUWQGSJQEWHQ-MRVPVSSYSA-N 0 0 236.271 3.008 20 5 BGBDRN CC[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067949413 171349941 /nfs/dbraw/zinc/34/99/41/171349941.db2.gz DWBUWQGSJQEWHQ-QMMMGPOBSA-N 0 0 236.271 3.008 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC000068658965 370827451 /nfs/dbraw/zinc/82/74/51/370827451.db2.gz VJOIJAQWQHKGDS-QMMMGPOBSA-N 0 0 249.295 3.224 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC000068658966 370827778 /nfs/dbraw/zinc/82/77/78/370827778.db2.gz VJOIJAQWQHKGDS-MRVPVSSYSA-N 0 0 249.295 3.224 20 5 BGBDRN C[C@H](Nc1ccsc1[N+](=O)[O-])c1ccccn1 ZINC000068658975 370827272 /nfs/dbraw/zinc/82/72/72/370827272.db2.gz VGQMKCRDQWZUKI-QMMMGPOBSA-N 0 0 249.295 3.224 20 5 BGBDRN C[C@@H](Nc1ccsc1[N+](=O)[O-])c1ccccn1 ZINC000068658976 370827380 /nfs/dbraw/zinc/82/73/80/370827380.db2.gz VGQMKCRDQWZUKI-MRVPVSSYSA-N 0 0 249.295 3.224 20 5 BGBDRN C[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000068824384 370851128 /nfs/dbraw/zinc/85/11/28/370851128.db2.gz LODBDIKOQYJVHE-VIFPVBQESA-N 0 0 240.328 3.283 20 5 BGBDRN C[C@H]1CCCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000068824488 343926500 /nfs/dbraw/zinc/92/65/00/343926500.db2.gz AYNURZMVGCNJRX-VIFPVBQESA-N 0 0 240.328 3.283 20 5 BGBDRN CSCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000069012528 344535221 /nfs/dbraw/zinc/53/52/21/344535221.db2.gz NPGFFUYNNBQPFH-UHFFFAOYSA-N 0 0 246.719 3.023 20 5 BGBDRN CC(C)CC[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000069234758 324933443 /nfs/dbraw/zinc/93/34/43/324933443.db2.gz UMVXLJXUFKHJOV-SNVBAGLBSA-N 0 0 237.303 3.226 20 5 BGBDRN CC(C)CC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000069234759 324933760 /nfs/dbraw/zinc/93/37/60/324933760.db2.gz UMVXLJXUFKHJOV-JTQLQIEISA-N 0 0 237.303 3.226 20 5 BGBDRN C[C@@H](CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069666932 388724871 /nfs/dbraw/zinc/72/48/71/388724871.db2.gz CKLUBVVLZROFIP-VIFPVBQESA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H](CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069666935 388724424 /nfs/dbraw/zinc/72/44/24/388724424.db2.gz CKLUBVVLZROFIP-SECBINFHSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H](CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000069666970 384075670 /nfs/dbraw/zinc/07/56/70/384075670.db2.gz PNDCYZRGTMYIGV-VIFPVBQESA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H](CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000069666973 176614237 /nfs/dbraw/zinc/61/42/37/176614237.db2.gz PNDCYZRGTMYIGV-SECBINFHSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000069874718 350847415 /nfs/dbraw/zinc/84/74/15/350847415.db2.gz AKDXPTAULBCYPN-VXGBXAGGSA-N 0 0 248.326 3.073 20 5 BGBDRN CCCCCCNc1ncc([N+](=O)[O-])cc1C ZINC000070074375 388728337 /nfs/dbraw/zinc/72/83/37/388728337.db2.gz BWCKUPAOEUNICV-UHFFFAOYSA-N 0 0 237.303 3.290 20 5 BGBDRN C[C@@H](CC1CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000070102862 388728123 /nfs/dbraw/zinc/72/81/23/388728123.db2.gz JBWYSSKZTALQSN-QMMMGPOBSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H](CC1CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000070102863 388728689 /nfs/dbraw/zinc/72/86/89/388728689.db2.gz JBWYSSKZTALQSN-MRVPVSSYSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000070113777 176234864 /nfs/dbraw/zinc/23/48/64/176234864.db2.gz PLQOYUYLKORXDC-FOGDFJRCSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000070113779 176214646 /nfs/dbraw/zinc/21/46/46/176214646.db2.gz PLQOYUYLKORXDC-CKYFFXLPSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000070113825 176234991 /nfs/dbraw/zinc/23/49/91/176234991.db2.gz FTFGIQCCPLIECP-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000070113827 176215149 /nfs/dbraw/zinc/21/51/49/176215149.db2.gz FTFGIQCCPLIECP-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000070113965 323167662 /nfs/dbraw/zinc/16/76/62/323167662.db2.gz FYNKTPNRBAFXAR-FOGDFJRCSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000070113967 323167590 /nfs/dbraw/zinc/16/75/90/323167590.db2.gz FYNKTPNRBAFXAR-CKYFFXLPSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000070114077 371008391 /nfs/dbraw/zinc/00/83/91/371008391.db2.gz YVVYPLDKBFOENC-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000070114079 134909777 /nfs/dbraw/zinc/90/97/77/134909777.db2.gz YVVYPLDKBFOENC-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN CSCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070183896 175498796 /nfs/dbraw/zinc/49/87/96/175498796.db2.gz GCWQSDKAUKBQBL-UHFFFAOYSA-N 0 0 246.719 3.023 20 5 BGBDRN CSCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000070183905 384465714 /nfs/dbraw/zinc/46/57/14/384465714.db2.gz QEVGTPZQCIAJGH-UHFFFAOYSA-N 0 0 246.719 3.023 20 5 BGBDRN CC(C)CC[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000070186517 166894372 /nfs/dbraw/zinc/89/43/72/166894372.db2.gz LJNSPEYUZUJRBM-SNVBAGLBSA-N 0 0 237.303 3.226 20 5 BGBDRN CC(C)CC[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000070186518 345457434 /nfs/dbraw/zinc/45/74/34/345457434.db2.gz LJNSPEYUZUJRBM-JTQLQIEISA-N 0 0 237.303 3.226 20 5 BGBDRN Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000070236474 325000755 /nfs/dbraw/zinc/00/07/55/325000755.db2.gz GWGJCMCSSQACNT-UHFFFAOYSA-N 0 0 243.262 3.482 20 5 BGBDRN Cc1cccc(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000070236491 384504830 /nfs/dbraw/zinc/50/48/30/384504830.db2.gz WVDUIFJLEZYOTJ-UHFFFAOYSA-N 0 0 243.262 3.482 20 5 BGBDRN Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000070236511 325000789 /nfs/dbraw/zinc/00/07/89/325000789.db2.gz SPCFSKCMCCKSDC-UHFFFAOYSA-N 0 0 243.262 3.482 20 5 BGBDRN Cc1ccnc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000070495764 384569338 /nfs/dbraw/zinc/56/93/38/384569338.db2.gz AUYVOKWMNPQDSM-UHFFFAOYSA-N 0 0 235.287 3.043 20 5 BGBDRN Cc1ccnc(N[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000070495814 179457243 /nfs/dbraw/zinc/45/72/43/179457243.db2.gz NMPZIVCDLMQXLL-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(N[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000070495815 179460402 /nfs/dbraw/zinc/46/04/02/179460402.db2.gz NMPZIVCDLMQXLL-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(N[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000070495816 388730362 /nfs/dbraw/zinc/73/03/62/388730362.db2.gz NMPZIVCDLMQXLL-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(N[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000070495817 179460688 /nfs/dbraw/zinc/46/06/88/179460688.db2.gz NMPZIVCDLMQXLL-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000070495839 388729456 /nfs/dbraw/zinc/72/94/56/388729456.db2.gz PIUSRVQTGWARSY-UHFFFAOYSA-N 0 0 249.314 3.433 20 5 BGBDRN Cc1ccnc(N[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000070495847 388729289 /nfs/dbraw/zinc/72/92/89/388729289.db2.gz AIBHQYOMSJOHDY-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(N[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000070495848 388730152 /nfs/dbraw/zinc/73/01/52/388730152.db2.gz AIBHQYOMSJOHDY-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(N[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000070495849 388730005 /nfs/dbraw/zinc/73/00/05/388730005.db2.gz AIBHQYOMSJOHDY-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(N[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000070495850 179460737 /nfs/dbraw/zinc/46/07/37/179460737.db2.gz AIBHQYOMSJOHDY-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(NCC2CCCCC2)c1[N+](=O)[O-] ZINC000070495854 371037094 /nfs/dbraw/zinc/03/70/94/371037094.db2.gz FMNWHGMXAHBZJR-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1ccnc(NCCC2CCCC2)c1[N+](=O)[O-] ZINC000070495920 179443748 /nfs/dbraw/zinc/44/37/48/179443748.db2.gz TWVDEHUGMYKRIF-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1ccnc(NCCCC(C)C)c1[N+](=O)[O-] ZINC000070495992 179444576 /nfs/dbraw/zinc/44/45/76/179444576.db2.gz IBPYGZTXYKGFGR-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496061 388729220 /nfs/dbraw/zinc/72/92/20/388729220.db2.gz FEEPYYYMQRJZFA-PSASIEDQSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496062 171367748 /nfs/dbraw/zinc/36/77/48/171367748.db2.gz FEEPYYYMQRJZFA-WCBMZHEXSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496063 388729764 /nfs/dbraw/zinc/72/97/64/388729764.db2.gz FEEPYYYMQRJZFA-SCZZXKLOSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496064 171392121 /nfs/dbraw/zinc/39/21/21/171392121.db2.gz FEEPYYYMQRJZFA-WPRPVWTQSA-N 0 0 237.303 3.145 20 5 BGBDRN CCC[C@@H](CC)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496251 359057681 /nfs/dbraw/zinc/05/76/81/359057681.db2.gz YRNSJYRLZOAQLR-SNVBAGLBSA-N 0 0 237.303 3.289 20 5 BGBDRN CCC[C@H](CC)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496252 371037136 /nfs/dbraw/zinc/03/71/36/371037136.db2.gz YRNSJYRLZOAQLR-JTQLQIEISA-N 0 0 237.303 3.289 20 5 BGBDRN Cc1ccnc(NCC2(C)CCCC2)c1[N+](=O)[O-] ZINC000070496440 384566955 /nfs/dbraw/zinc/56/69/55/384566955.db2.gz UNDCIKXHWKRUAS-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN CCCCCCNc1nccc(C)c1[N+](=O)[O-] ZINC000070496486 388729326 /nfs/dbraw/zinc/72/93/26/388729326.db2.gz VVMQXSWXFSLUPK-UHFFFAOYSA-N 0 0 237.303 3.290 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000070761291 176234951 /nfs/dbraw/zinc/23/49/51/176234951.db2.gz YLPYGVCHGZTZMR-ZJUUUORDSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000070761294 177205524 /nfs/dbraw/zinc/20/55/24/177205524.db2.gz YLPYGVCHGZTZMR-UWVGGRQHSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000070761296 176214670 /nfs/dbraw/zinc/21/46/70/176214670.db2.gz YLPYGVCHGZTZMR-NXEZZACHSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000070761299 177194539 /nfs/dbraw/zinc/19/45/39/177194539.db2.gz YLPYGVCHGZTZMR-VHSXEESVSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070761301 176235293 /nfs/dbraw/zinc/23/52/93/176235293.db2.gz JTYGPDHCORPEDR-KOLCDFICSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070761303 177205606 /nfs/dbraw/zinc/20/56/06/177205606.db2.gz JTYGPDHCORPEDR-ONGXEEELSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070761305 176214637 /nfs/dbraw/zinc/21/46/37/176214637.db2.gz JTYGPDHCORPEDR-MWLCHTKSSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000070761307 177194093 /nfs/dbraw/zinc/19/40/93/177194093.db2.gz JTYGPDHCORPEDR-GXSJLCMTSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000070832878 176132763 /nfs/dbraw/zinc/13/27/63/176132763.db2.gz XYUMWOBIEYDDOS-ZJUUUORDSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000070832881 177127047 /nfs/dbraw/zinc/12/70/47/177127047.db2.gz XYUMWOBIEYDDOS-UWVGGRQHSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000070832883 176151570 /nfs/dbraw/zinc/15/15/70/176151570.db2.gz XYUMWOBIEYDDOS-NXEZZACHSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000070832885 177142625 /nfs/dbraw/zinc/14/26/25/177142625.db2.gz XYUMWOBIEYDDOS-VHSXEESVSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000070916803 176132491 /nfs/dbraw/zinc/13/24/91/176132491.db2.gz CEEPTWBTZVZUQT-SKDRFNHKSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000070916804 177126913 /nfs/dbraw/zinc/12/69/13/177126913.db2.gz CEEPTWBTZVZUQT-CABZTGNLSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000070916808 176151482 /nfs/dbraw/zinc/15/14/82/176151482.db2.gz CEEPTWBTZVZUQT-BXKDBHETSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000070916813 177142613 /nfs/dbraw/zinc/14/26/13/177142613.db2.gz CEEPTWBTZVZUQT-JOYOIKCWSA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000071208420 176132653 /nfs/dbraw/zinc/13/26/53/176132653.db2.gz KOGHCSXMJREPFU-KCJUWKMLSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000071208421 177126442 /nfs/dbraw/zinc/12/64/42/177126442.db2.gz KOGHCSXMJREPFU-KWQFWETISA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000071208422 176151629 /nfs/dbraw/zinc/15/16/29/176151629.db2.gz KOGHCSXMJREPFU-LDYMZIIASA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000071208423 177142529 /nfs/dbraw/zinc/14/25/29/177142529.db2.gz KOGHCSXMJREPFU-GZMMTYOYSA-N 0 0 238.262 3.334 20 5 BGBDRN Nc1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000071569224 643157169 /nfs/dbraw/zinc/15/71/69/643157169.db2.gz KPCKHAJSAUHXPZ-UHFFFAOYSA-N 0 0 249.314 3.312 20 5 BGBDRN Cc1cc(O[C@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000071765813 342840163 /nfs/dbraw/zinc/84/01/63/342840163.db2.gz GLRJWBBAUGXDEP-NSHDSACASA-N 0 0 233.267 3.391 20 5 BGBDRN Cc1cc(O[C@@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000071765814 342840116 /nfs/dbraw/zinc/84/01/16/342840116.db2.gz GLRJWBBAUGXDEP-LLVKDONJSA-N 0 0 233.267 3.391 20 5 BGBDRN C[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000071798035 177024990 /nfs/dbraw/zinc/02/49/90/177024990.db2.gz MIWKJIHIQLDCFM-JTQLQIEISA-N 0 0 244.250 3.130 20 5 BGBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000071798036 176006547 /nfs/dbraw/zinc/00/65/47/176006547.db2.gz MIWKJIHIQLDCFM-SNVBAGLBSA-N 0 0 244.250 3.130 20 5 BGBDRN Cc1ccc(OCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000071810320 178810754 /nfs/dbraw/zinc/81/07/54/178810754.db2.gz SMCDSJVEQRVYLX-UHFFFAOYSA-N 0 0 249.188 3.234 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OCCC(F)(F)F)c1 ZINC000071815318 384715920 /nfs/dbraw/zinc/71/59/20/384715920.db2.gz WNHABQROQCYSEQ-UHFFFAOYSA-N 0 0 249.188 3.234 20 5 BGBDRN Cc1cc(OCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000071820513 178209602 /nfs/dbraw/zinc/20/96/02/178209602.db2.gz LHRGQRKFTCVDGU-UHFFFAOYSA-N 0 0 249.188 3.234 20 5 BGBDRN CCCCN(CC)c1ccc([N+](=O)[O-])cc1F ZINC000071895719 643194212 /nfs/dbraw/zinc/19/42/12/643194212.db2.gz PVSUMAAAPLSASC-UHFFFAOYSA-N 0 0 240.278 3.360 20 5 BGBDRN Cc1c(OCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000071912270 344450932 /nfs/dbraw/zinc/45/09/32/344450932.db2.gz OUYNNTTYOZCQSD-UHFFFAOYSA-N 0 0 249.188 3.234 20 5 BGBDRN Cc1ccccc1COc1cccc([N+](=O)[O-])c1 ZINC000072100047 179287658 /nfs/dbraw/zinc/28/76/58/179287658.db2.gz QYEQIZYLVCASKA-UHFFFAOYSA-N 0 0 243.262 3.482 20 5 BGBDRN O=C(Oc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000072508471 633100834 /nfs/dbraw/zinc/10/08/34/633100834.db2.gz CJZJMDPAVTYTLT-UHFFFAOYSA-N 0 0 249.266 3.081 20 5 BGBDRN O=C(CC1CCCC1)Oc1cccc([N+](=O)[O-])c1 ZINC000072508488 643261739 /nfs/dbraw/zinc/26/17/39/643261739.db2.gz KYPCJOLFFDOQDA-UHFFFAOYSA-N 0 0 249.266 3.081 20 5 BGBDRN O=[N+]([O-])c1cccnc1SC1CCCCC1 ZINC000072522152 368773195 /nfs/dbraw/zinc/77/31/95/368773195.db2.gz LXMKGIYSGGYSIG-UHFFFAOYSA-N 0 0 238.312 3.415 20 5 BGBDRN CC(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000072626114 347062657 /nfs/dbraw/zinc/06/26/57/347062657.db2.gz ZBPPBZKJJJMTFY-UHFFFAOYSA-N 0 0 245.282 3.114 20 5 BGBDRN O=[N+]([O-])c1ccc(SC2CCCCC2)nc1 ZINC000072672618 351349177 /nfs/dbraw/zinc/34/91/77/351349177.db2.gz LHGQCOTVSNTRNN-UHFFFAOYSA-N 0 0 238.312 3.415 20 5 BGBDRN CC1CCC(N(C)c2ccc([N+](=O)[O-])nc2)CC1 ZINC000072672814 369485250 /nfs/dbraw/zinc/48/52/50/369485250.db2.gz ODKSLTGTYMIBKT-UHFFFAOYSA-N 0 0 249.314 3.005 20 5 BGBDRN CCC(C)(C)Nc1ccccc1[N+](=O)[O-] ZINC000072751700 168302870 /nfs/dbraw/zinc/30/28/70/168302870.db2.gz PEEQRDHQUHBMFM-UHFFFAOYSA-N 0 0 208.261 3.195 20 5 BGBDRN Cc1cc(NC2CCCCC2)ncc1[N+](=O)[O-] ZINC000073000139 178154777 /nfs/dbraw/zinc/15/47/77/178154777.db2.gz SDLKDRDJGGAIHT-UHFFFAOYSA-N 0 0 235.287 3.043 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000328 386665085 /nfs/dbraw/zinc/66/50/85/386665085.db2.gz IFHDUCZYPCPGHL-PSASIEDQSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000329 171367729 /nfs/dbraw/zinc/36/77/29/171367729.db2.gz IFHDUCZYPCPGHL-WCBMZHEXSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000330 170792360 /nfs/dbraw/zinc/79/23/60/170792360.db2.gz IFHDUCZYPCPGHL-SCZZXKLOSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000331 171391223 /nfs/dbraw/zinc/39/12/23/171391223.db2.gz IFHDUCZYPCPGHL-WPRPVWTQSA-N 0 0 237.303 3.145 20 5 BGBDRN Cc1cc(C(=O)OC2CCCC2)ccc1[N+](=O)[O-] ZINC000073001503 643352939 /nfs/dbraw/zinc/35/29/39/643352939.db2.gz HHPPAOQSLFTCDJ-UHFFFAOYSA-N 0 0 249.266 3.003 20 5 BGBDRN Cc1c(C(=O)OC2CCCC2)cccc1[N+](=O)[O-] ZINC000073001505 635468310 /nfs/dbraw/zinc/46/83/10/635468310.db2.gz GWKMSHJVQSDASW-UHFFFAOYSA-N 0 0 249.266 3.003 20 5 BGBDRN Cc1ccc(C(=O)OC2CCCC2)cc1[N+](=O)[O-] ZINC000073001508 643353540 /nfs/dbraw/zinc/35/35/40/643353540.db2.gz RPIROAMNFPGBCY-UHFFFAOYSA-N 0 0 249.266 3.003 20 5 BGBDRN CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000073170988 352138793 /nfs/dbraw/zinc/13/87/93/352138793.db2.gz VEKAHCXYLIZXAH-UHFFFAOYSA-N 0 0 248.282 3.114 20 5 BGBDRN CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000073170993 352138928 /nfs/dbraw/zinc/13/89/28/352138928.db2.gz YTTHQVNRXBHKIB-UHFFFAOYSA-N 0 0 248.282 3.114 20 5 BGBDRN C[C@@H]1CCC[C@H](N(C)c2ccc([N+](=O)[O-])nc2)C1 ZINC000073588813 343988933 /nfs/dbraw/zinc/98/89/33/343988933.db2.gz ZAXHBHSZRLERJR-MNOVXSKESA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCC[C@H](N(C)c2ccc([N+](=O)[O-])nc2)C1 ZINC000073588814 368810584 /nfs/dbraw/zinc/81/05/84/368810584.db2.gz ZAXHBHSZRLERJR-QWRGUYRKSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCC[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)C1 ZINC000073588817 368811080 /nfs/dbraw/zinc/81/10/80/368811080.db2.gz ZAXHBHSZRLERJR-GHMZBOCLSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCC[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)C1 ZINC000073588820 343988944 /nfs/dbraw/zinc/98/89/44/343988944.db2.gz ZAXHBHSZRLERJR-WDEREUQCSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCC[C@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000073588853 368810435 /nfs/dbraw/zinc/81/04/35/368810435.db2.gz CEPRDDYVLHMLLQ-MNOVXSKESA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCC[C@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000073588859 368810711 /nfs/dbraw/zinc/81/07/11/368810711.db2.gz CEPRDDYVLHMLLQ-QWRGUYRKSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000073588865 368811028 /nfs/dbraw/zinc/81/10/28/368811028.db2.gz CEPRDDYVLHMLLQ-GHMZBOCLSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000073588869 368810518 /nfs/dbraw/zinc/81/05/18/368810518.db2.gz CEPRDDYVLHMLLQ-WDEREUQCSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCC[C@H](N(C)c2ccc([N+](=O)[O-])cn2)C1 ZINC000073588880 368810608 /nfs/dbraw/zinc/81/06/08/368810608.db2.gz OSVUFVKCQRCIGE-MNOVXSKESA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCC[C@H](N(C)c2ccc([N+](=O)[O-])cn2)C1 ZINC000073588882 368810983 /nfs/dbraw/zinc/81/09/83/368810983.db2.gz OSVUFVKCQRCIGE-QWRGUYRKSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCC[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)C1 ZINC000073588883 368810441 /nfs/dbraw/zinc/81/04/41/368810441.db2.gz OSVUFVKCQRCIGE-GHMZBOCLSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCC[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)C1 ZINC000073588885 368810312 /nfs/dbraw/zinc/81/03/12/368810312.db2.gz OSVUFVKCQRCIGE-WDEREUQCSA-N 0 0 249.314 3.005 20 5 BGBDRN CN(CC1CCCCC1)c1ncccc1[N+](=O)[O-] ZINC000074179258 355359127 /nfs/dbraw/zinc/35/91/27/355359127.db2.gz DOHBFSXDFBLLDP-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000074271719 354390190 /nfs/dbraw/zinc/39/01/90/354390190.db2.gz OYTVTSMROMZYLJ-PWSUYJOCSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCCC[C@@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000074271725 354389986 /nfs/dbraw/zinc/38/99/86/354389986.db2.gz OYTVTSMROMZYLJ-JQWIXIFHSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCCC[C@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000074271729 354390272 /nfs/dbraw/zinc/39/02/72/354390272.db2.gz OYTVTSMROMZYLJ-ZYHUDNBSSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCCC[C@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000074271732 354390143 /nfs/dbraw/zinc/39/01/43/354390143.db2.gz OYTVTSMROMZYLJ-CMPLNLGQSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000074271764 368835460 /nfs/dbraw/zinc/83/54/60/368835460.db2.gz RKHKLVMMOSVHDO-MNOVXSKESA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCCC[C@@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000074271769 368836538 /nfs/dbraw/zinc/83/65/38/368836538.db2.gz RKHKLVMMOSVHDO-QWRGUYRKSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCCC[C@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000074271772 368836316 /nfs/dbraw/zinc/83/63/16/368836316.db2.gz RKHKLVMMOSVHDO-GHMZBOCLSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCCC[C@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000074271775 368836324 /nfs/dbraw/zinc/83/63/24/368836324.db2.gz RKHKLVMMOSVHDO-WDEREUQCSA-N 0 0 249.314 3.005 20 5 BGBDRN CCC(C)(C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000074320495 384280074 /nfs/dbraw/zinc/28/00/74/384280074.db2.gz QZFFXXRNKFKYLP-UHFFFAOYSA-N 0 0 242.344 3.277 20 5 BGBDRN CC[C@@H]1CCCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000074724596 344753843 /nfs/dbraw/zinc/75/38/43/344753843.db2.gz PIOFXJLBLAOJIJ-LLVKDONJSA-N 0 0 249.314 3.067 20 5 BGBDRN CC[C@H]1CCCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000074724600 344754033 /nfs/dbraw/zinc/75/40/33/344754033.db2.gz PIOFXJLBLAOJIJ-NSHDSACASA-N 0 0 249.314 3.067 20 5 BGBDRN Cc1cc(Nc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000074724631 344753847 /nfs/dbraw/zinc/75/38/47/344753847.db2.gz DQMAJFVUWCBRQV-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN Cc1ccccc1Oc1cc(C)c([N+](=O)[O-])cn1 ZINC000074724706 344753785 /nfs/dbraw/zinc/75/37/85/344753785.db2.gz WSGIXMOLELQTNC-UHFFFAOYSA-N 0 0 244.250 3.399 20 5 BGBDRN Cc1cc(Oc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000074724711 178214681 /nfs/dbraw/zinc/21/46/81/178214681.db2.gz OEKSLMNXMGJJJT-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN Cc1cc(SC2CCCC2)ncc1[N+](=O)[O-] ZINC000074725098 344754011 /nfs/dbraw/zinc/75/40/11/344754011.db2.gz QZKFJZHSRRSVRB-UHFFFAOYSA-N 0 0 238.312 3.333 20 5 BGBDRN Cc1cc(N2CCCCCCC2)ncc1[N+](=O)[O-] ZINC000074725169 344754083 /nfs/dbraw/zinc/75/40/83/344754083.db2.gz RNLXVMXKTVLJEU-UHFFFAOYSA-N 0 0 249.314 3.069 20 5 BGBDRN Cc1cc(NCCC(C)(C)C)ncc1[N+](=O)[O-] ZINC000074740266 356667164 /nfs/dbraw/zinc/66/71/64/356667164.db2.gz YXCJSKJJNCHHEI-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN Cc1cc(NC[C@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000074743609 344754480 /nfs/dbraw/zinc/75/44/80/344754480.db2.gz HWPMWWGCPBIFKN-NSHDSACASA-N 0 0 247.298 3.066 20 5 BGBDRN Cc1cc(NC[C@@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000074743611 344754484 /nfs/dbraw/zinc/75/44/84/344754484.db2.gz HWPMWWGCPBIFKN-LLVKDONJSA-N 0 0 247.298 3.066 20 5 BGBDRN Cc1cc(N2CCCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074763427 386035758 /nfs/dbraw/zinc/03/57/58/386035758.db2.gz RUAQFAFOALNQPI-NSHDSACASA-N 0 0 249.314 3.067 20 5 BGBDRN Cc1cc(N2CCCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000074763429 344755156 /nfs/dbraw/zinc/75/51/56/344755156.db2.gz RUAQFAFOALNQPI-LLVKDONJSA-N 0 0 249.314 3.067 20 5 BGBDRN Cc1cc(S[C@@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000074768571 344755415 /nfs/dbraw/zinc/75/54/15/344755415.db2.gz GSURRNKAURNTDI-VIFPVBQESA-N 0 0 240.328 3.435 20 5 BGBDRN Cc1cc(S[C@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000074768574 344755534 /nfs/dbraw/zinc/75/55/34/344755534.db2.gz GSURRNKAURNTDI-SECBINFHSA-N 0 0 240.328 3.435 20 5 BGBDRN CCCCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000075282662 387533946 /nfs/dbraw/zinc/53/39/46/387533946.db2.gz QBLXWPAQJPWRMN-UHFFFAOYSA-N 0 0 236.271 3.032 20 5 BGBDRN CCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000075731712 325308813 /nfs/dbraw/zinc/30/88/13/325308813.db2.gz AQJRHQGOHQYFGL-UHFFFAOYSA-N 0 0 234.280 3.281 20 5 BGBDRN CCCCCCNc1ncc([N+](=O)[O-])s1 ZINC000075825327 642703794 /nfs/dbraw/zinc/70/37/94/642703794.db2.gz IHGLPHJJMHQAHU-UHFFFAOYSA-N 0 0 229.305 3.044 20 5 BGBDRN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1C ZINC000076116731 177112356 /nfs/dbraw/zinc/11/23/56/177112356.db2.gz VDTSHAIHILZINW-QWRGUYRKSA-N 0 0 234.299 3.140 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1O[C@H]1C=CCCC1 ZINC000076609259 325350519 /nfs/dbraw/zinc/35/05/19/325350519.db2.gz UCGAPRXTTYOLON-NSHDSACASA-N 0 0 249.266 3.091 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1O[C@@H]1C=CCCC1 ZINC000076609264 325350760 /nfs/dbraw/zinc/35/07/60/325350760.db2.gz UCGAPRXTTYOLON-LLVKDONJSA-N 0 0 249.266 3.091 20 5 BGBDRN O=[N+]([O-])c1cccc(O[C@H]2C=CCCC2)c1 ZINC000076609287 398110977 /nfs/dbraw/zinc/11/09/77/398110977.db2.gz FOYAHNLXKXAJRM-NSHDSACASA-N 0 0 219.240 3.082 20 5 BGBDRN O=[N+]([O-])c1cccc(O[C@@H]2C=CCCC2)c1 ZINC000076609290 363242562 /nfs/dbraw/zinc/24/25/62/363242562.db2.gz FOYAHNLXKXAJRM-LLVKDONJSA-N 0 0 219.240 3.082 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N(C)C1CCCCC1 ZINC000076663956 344805183 /nfs/dbraw/zinc/80/51/83/344805183.db2.gz AZBNBRKNIZSVJW-UHFFFAOYSA-N 0 0 249.314 3.067 20 5 BGBDRN CCCc1nc2cc3ccccc3cc2c(=O)[nH]1 ZINC000077251959 135059620 /nfs/dbraw/zinc/05/96/20/135059620.db2.gz GAUIVILEULEHFJ-UHFFFAOYSA-N 0 0 238.290 3.029 20 5 BGBDRN CCc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000078052138 325403893 /nfs/dbraw/zinc/40/38/93/325403893.db2.gz OPNBWDDHFQVFIG-UHFFFAOYSA-N 0 0 234.280 3.281 20 5 BGBDRN CCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000078052140 388679314 /nfs/dbraw/zinc/67/93/14/388679314.db2.gz ABPRMNSYLRBFOB-UHFFFAOYSA-N 0 0 234.280 3.281 20 5 BGBDRN CCCCCC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000078233928 641906063 /nfs/dbraw/zinc/90/60/63/641906063.db2.gz YEQVHAOKBMYEQR-UHFFFAOYSA-N 0 0 237.255 3.081 20 5 BGBDRN C[C@@H]1CCC[C@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000078342284 344850764 /nfs/dbraw/zinc/85/07/64/344850764.db2.gz AWODQSKYXHQAKI-MNOVXSKESA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCC[C@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000078342286 344850868 /nfs/dbraw/zinc/85/08/68/344850868.db2.gz AWODQSKYXHQAKI-QWRGUYRKSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCC[C@@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000078342289 344850710 /nfs/dbraw/zinc/85/07/10/344850710.db2.gz AWODQSKYXHQAKI-GHMZBOCLSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCC[C@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000078342290 344850830 /nfs/dbraw/zinc/85/08/30/344850830.db2.gz AWODQSKYXHQAKI-WDEREUQCSA-N 0 0 249.314 3.005 20 5 BGBDRN COc1ccc(OCCC(C)C)c([N+](=O)[O-])c1 ZINC000078353675 325415644 /nfs/dbraw/zinc/41/56/44/325415644.db2.gz JLYUHBMKBPENBD-UHFFFAOYSA-N 0 0 239.271 3.028 20 5 BGBDRN CC1(C)CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000078373399 370555370 /nfs/dbraw/zinc/55/53/70/370555370.db2.gz LXRXVCQVSYHWGH-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN CC1(C)CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000078373466 344856053 /nfs/dbraw/zinc/85/60/53/344856053.db2.gz HQAJWPBRDIQKIU-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN CC1(C)CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000078373526 368367465 /nfs/dbraw/zinc/36/74/65/368367465.db2.gz OETLLWYWZJIVLD-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCC[C@H]2CCC[C@@H]21 ZINC000078413192 344863918 /nfs/dbraw/zinc/86/39/18/344863918.db2.gz DAXOCHUKELWLRT-NEPJUHHUSA-N 0 0 246.310 3.364 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCC[C@@H]2CCC[C@@H]21 ZINC000078413197 344863920 /nfs/dbraw/zinc/86/39/20/344863920.db2.gz DAXOCHUKELWLRT-RYUDHWBXSA-N 0 0 246.310 3.364 20 5 BGBDRN CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000078434484 384445075 /nfs/dbraw/zinc/44/50/75/384445075.db2.gz AWHVKDQOMNBUIO-UHFFFAOYSA-N 0 0 215.636 3.037 20 5 BGBDRN CC(=O)c1ccc(NCCC2CC2)c([N+](=O)[O-])c1 ZINC000078499423 344877084 /nfs/dbraw/zinc/87/70/84/344877084.db2.gz CIECKLSPHUCUIL-UHFFFAOYSA-N 0 0 248.282 3.009 20 5 BGBDRN CC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000078559105 344882253 /nfs/dbraw/zinc/88/22/53/344882253.db2.gz QVUSZVOMNHXLIJ-CYBMUJFWSA-N 0 0 249.314 3.006 20 5 BGBDRN CC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000078559106 344882445 /nfs/dbraw/zinc/88/24/45/344882445.db2.gz QVUSZVOMNHXLIJ-ZDUSSCGKSA-N 0 0 249.314 3.006 20 5 BGBDRN CC[C@]1(C)CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078559202 344882279 /nfs/dbraw/zinc/88/22/79/344882279.db2.gz YQZNRKITBWTKPN-CYBMUJFWSA-N 0 0 249.314 3.006 20 5 BGBDRN CC[C@@]1(C)CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078559204 344882432 /nfs/dbraw/zinc/88/24/32/344882432.db2.gz YQZNRKITBWTKPN-ZDUSSCGKSA-N 0 0 249.314 3.006 20 5 BGBDRN CC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000078559287 342911945 /nfs/dbraw/zinc/91/19/45/342911945.db2.gz XTFAYNQHFHJVPN-CYBMUJFWSA-N 0 0 249.314 3.006 20 5 BGBDRN CC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000078559289 370574631 /nfs/dbraw/zinc/57/46/31/370574631.db2.gz XTFAYNQHFHJVPN-ZDUSSCGKSA-N 0 0 249.314 3.006 20 5 BGBDRN Cc1cc(N2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000078561650 344882950 /nfs/dbraw/zinc/88/29/50/344882950.db2.gz BEKIHUBUOKSJFC-UHFFFAOYSA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@@H](C)COc1ccccc1[N+](=O)[O-] ZINC000078582554 325423642 /nfs/dbraw/zinc/42/36/42/325423642.db2.gz DXZVGFVRMMXCDE-SECBINFHSA-N 0 0 209.245 3.020 20 5 BGBDRN CC[C@H](C)COc1ccccc1[N+](=O)[O-] ZINC000078582557 388682814 /nfs/dbraw/zinc/68/28/14/388682814.db2.gz DXZVGFVRMMXCDE-VIFPVBQESA-N 0 0 209.245 3.020 20 5 BGBDRN CC(C)[C@@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000078588798 344887408 /nfs/dbraw/zinc/88/74/08/344887408.db2.gz YXNHTHGKXFSGNM-MRVPVSSYSA-N 0 0 226.301 3.126 20 5 BGBDRN CC(C)[C@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000078588803 344887170 /nfs/dbraw/zinc/88/71/70/344887170.db2.gz YXNHTHGKXFSGNM-QMMMGPOBSA-N 0 0 226.301 3.126 20 5 BGBDRN CC(C)[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000078588867 344887239 /nfs/dbraw/zinc/88/72/39/344887239.db2.gz WDPKJHJZRZFPLU-MRVPVSSYSA-N 0 0 226.301 3.126 20 5 BGBDRN CC(C)[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000078588874 344887229 /nfs/dbraw/zinc/88/72/29/344887229.db2.gz WDPKJHJZRZFPLU-QMMMGPOBSA-N 0 0 226.301 3.126 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCC(F)(F)F)s1 ZINC000078591587 342912118 /nfs/dbraw/zinc/91/21/18/342912118.db2.gz FLGDGUHYALQJDU-UHFFFAOYSA-N 0 0 240.206 3.021 20 5 BGBDRN CC[C@@H]1CCCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000078624230 344891488 /nfs/dbraw/zinc/89/14/88/344891488.db2.gz PGSWQOKGCSUHSV-LLVKDONJSA-N 0 0 249.314 3.067 20 5 BGBDRN CC[C@H]1CCCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000078624236 344891649 /nfs/dbraw/zinc/89/16/49/344891649.db2.gz PGSWQOKGCSUHSV-NSHDSACASA-N 0 0 249.314 3.067 20 5 BGBDRN Cc1cnc(N(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000078624249 359340914 /nfs/dbraw/zinc/34/09/14/359340914.db2.gz YUGJPGBKBHRTED-UHFFFAOYSA-N 0 0 249.314 3.067 20 5 BGBDRN Cc1cnc(Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000078624258 344891393 /nfs/dbraw/zinc/89/13/93/344891393.db2.gz JRTZQMWOQRMXHW-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN Cc1cnc(Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000078624311 344891769 /nfs/dbraw/zinc/89/17/69/344891769.db2.gz KPOSVPOHBQDPRA-UHFFFAOYSA-N 0 0 244.250 3.399 20 5 BGBDRN Cc1cnc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000078624327 344891272 /nfs/dbraw/zinc/89/12/72/344891272.db2.gz UNXCYKUKOWWTIL-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN Cc1cnc(Oc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000078624344 344891467 /nfs/dbraw/zinc/89/14/67/344891467.db2.gz NINIFJMGULOJIC-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN Cc1cnc(SC2CCCC2)c([N+](=O)[O-])c1 ZINC000078624657 344891464 /nfs/dbraw/zinc/89/14/64/344891464.db2.gz ZNVUQUDZLLOEIL-UHFFFAOYSA-N 0 0 238.312 3.333 20 5 BGBDRN CCN(c1ncc(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000078631746 344890846 /nfs/dbraw/zinc/89/08/46/344890846.db2.gz QMSVPTABMCXIBR-UHFFFAOYSA-N 0 0 249.314 3.067 20 5 BGBDRN Cc1cnc(N2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078663719 344893963 /nfs/dbraw/zinc/89/39/63/344893963.db2.gz DQUQAXXYLGEHRC-NSHDSACASA-N 0 0 249.314 3.067 20 5 BGBDRN Cc1cnc(N2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000078663723 344893862 /nfs/dbraw/zinc/89/38/62/344893862.db2.gz DQUQAXXYLGEHRC-LLVKDONJSA-N 0 0 249.314 3.067 20 5 BGBDRN Cc1cnc(S[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000078671185 344896859 /nfs/dbraw/zinc/89/68/59/344896859.db2.gz UMBBCEPVLIDKCH-VIFPVBQESA-N 0 0 240.328 3.435 20 5 BGBDRN Cc1cnc(S[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000078671189 344896868 /nfs/dbraw/zinc/89/68/68/344896868.db2.gz UMBBCEPVLIDKCH-SECBINFHSA-N 0 0 240.328 3.435 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1OCCC(F)(F)F ZINC000078755620 344902450 /nfs/dbraw/zinc/90/24/50/344902450.db2.gz OAURLDYHHOIONI-UHFFFAOYSA-N 0 0 249.188 3.234 20 5 BGBDRN CSCCCOc1cc([N+](=O)[O-])ccc1C ZINC000078961746 135253321 /nfs/dbraw/zinc/25/33/21/135253321.db2.gz FKLMFLCNRGOJKT-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN C[C@H](Sc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000078998758 135265356 /nfs/dbraw/zinc/26/53/56/135265356.db2.gz OAODDWDVSBAXNN-QMMMGPOBSA-N 0 0 249.295 3.171 20 5 BGBDRN C[C@@H](Sc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000078998767 135265191 /nfs/dbraw/zinc/26/51/91/135265191.db2.gz OAODDWDVSBAXNN-MRVPVSSYSA-N 0 0 249.295 3.171 20 5 BGBDRN CC1(C)CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000079679916 135344316 /nfs/dbraw/zinc/34/43/16/135344316.db2.gz FQKGAUGSDMDGMR-UHFFFAOYSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000079679989 135344498 /nfs/dbraw/zinc/34/44/98/135344498.db2.gz OGIZWDDEQJOLMJ-UHFFFAOYSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000079680087 134413447 /nfs/dbraw/zinc/41/34/47/134413447.db2.gz YOOPODYMZXLTFC-UHFFFAOYSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000079680111 388698457 /nfs/dbraw/zinc/69/84/57/388698457.db2.gz CIRCXJMMYUYWBF-UHFFFAOYSA-N 0 0 249.314 3.371 20 5 BGBDRN 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CC(C)(C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000088134556 384224489 /nfs/dbraw/zinc/22/44/89/384224489.db2.gz NYNULHAOBUZPJZ-UHFFFAOYSA-N 0 0 226.251 3.192 20 5 BGBDRN CC[C@@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000088298572 356659223 /nfs/dbraw/zinc/65/92/23/356659223.db2.gz PWZYZJUBYBALMF-NXEZZACHSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000088298573 356659069 /nfs/dbraw/zinc/65/90/69/356659069.db2.gz PWZYZJUBYBALMF-VHSXEESVSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000088298574 535536732 /nfs/dbraw/zinc/53/67/32/535536732.db2.gz PWZYZJUBYBALMF-ZJUUUORDSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000088298575 356659442 /nfs/dbraw/zinc/65/94/42/356659442.db2.gz PWZYZJUBYBALMF-UWVGGRQHSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@@H](C)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000088298636 356659011 /nfs/dbraw/zinc/65/90/11/356659011.db2.gz MVTJBPGECZMTFX-NXEZZACHSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000088298637 356659472 /nfs/dbraw/zinc/65/94/72/356659472.db2.gz MVTJBPGECZMTFX-VHSXEESVSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@@H](C)C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000088298638 356659468 /nfs/dbraw/zinc/65/94/68/356659468.db2.gz MVTJBPGECZMTFX-ZJUUUORDSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000088298639 356658971 /nfs/dbraw/zinc/65/89/71/356658971.db2.gz MVTJBPGECZMTFX-UWVGGRQHSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000088298652 387011579 /nfs/dbraw/zinc/01/15/79/387011579.db2.gz SNFRMLHIKDEIGO-NXEZZACHSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000088298653 322999261 /nfs/dbraw/zinc/99/92/61/322999261.db2.gz SNFRMLHIKDEIGO-VHSXEESVSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000088298654 322999121 /nfs/dbraw/zinc/99/91/21/322999121.db2.gz SNFRMLHIKDEIGO-ZJUUUORDSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000088298655 387011736 /nfs/dbraw/zinc/01/17/36/387011736.db2.gz SNFRMLHIKDEIGO-UWVGGRQHSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@@H](C)C[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000088298804 322999474 /nfs/dbraw/zinc/99/94/74/322999474.db2.gz LQDWQKMHSGFFIV-NXEZZACHSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000088298805 398326384 /nfs/dbraw/zinc/32/63/84/398326384.db2.gz LQDWQKMHSGFFIV-VHSXEESVSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@@H](C)C[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000088298806 322999484 /nfs/dbraw/zinc/99/94/84/322999484.db2.gz LQDWQKMHSGFFIV-ZJUUUORDSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000088298807 398326403 /nfs/dbraw/zinc/32/64/03/398326403.db2.gz LQDWQKMHSGFFIV-UWVGGRQHSA-N 0 0 237.303 3.226 20 5 BGBDRN COCC[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000088308246 345538937 /nfs/dbraw/zinc/53/89/37/345538937.db2.gz IBSSFLLRULEXEP-VIFPVBQESA-N 0 0 241.312 3.112 20 5 BGBDRN COCC[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000088308247 345538872 /nfs/dbraw/zinc/53/88/72/345538872.db2.gz IBSSFLLRULEXEP-SECBINFHSA-N 0 0 241.312 3.112 20 5 BGBDRN O=[N+]([O-])c1ccc(NCC(C2CC2)C2CC2)cc1 ZINC000088460142 387199923 /nfs/dbraw/zinc/19/99/23/387199923.db2.gz JDAVWFSANJYMAR-UHFFFAOYSA-N 0 0 246.310 3.443 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCC(C1CC1)C1CC1 ZINC000088460290 325658983 /nfs/dbraw/zinc/65/89/83/325658983.db2.gz CJFZTGRNLXIVLV-UHFFFAOYSA-N 0 0 246.310 3.443 20 5 BGBDRN CC[C@@H](C)COc1cc([N+](=O)[O-])ccc1OC ZINC000088485021 325658785 /nfs/dbraw/zinc/65/87/85/325658785.db2.gz VCJLBLRGIOZZPZ-SECBINFHSA-N 0 0 239.271 3.028 20 5 BGBDRN CC[C@H](C)COc1cc([N+](=O)[O-])ccc1OC ZINC000088485022 387250976 /nfs/dbraw/zinc/25/09/76/387250976.db2.gz VCJLBLRGIOZZPZ-VIFPVBQESA-N 0 0 239.271 3.028 20 5 BGBDRN CC[C@@H](C)COc1ccc(OC)cc1[N+](=O)[O-] ZINC000088493091 325659157 /nfs/dbraw/zinc/65/91/57/325659157.db2.gz SAUZKHQLZOENKO-SECBINFHSA-N 0 0 239.271 3.028 20 5 BGBDRN CC[C@H](C)COc1ccc(OC)cc1[N+](=O)[O-] ZINC000088493092 387266162 /nfs/dbraw/zinc/26/61/62/387266162.db2.gz SAUZKHQLZOENKO-VIFPVBQESA-N 0 0 239.271 3.028 20 5 BGBDRN CC[C@@H](C)COc1ccc([N+](=O)[O-])cc1OC ZINC000088500010 135522862 /nfs/dbraw/zinc/52/28/62/135522862.db2.gz SMUZSXNCRFFMAF-SECBINFHSA-N 0 0 239.271 3.028 20 5 BGBDRN CC[C@H](C)COc1ccc([N+](=O)[O-])cc1OC ZINC000088500011 356723422 /nfs/dbraw/zinc/72/34/22/356723422.db2.gz SMUZSXNCRFFMAF-VIFPVBQESA-N 0 0 239.271 3.028 20 5 BGBDRN CC(C)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000088524176 167145690 /nfs/dbraw/zinc/14/56/90/167145690.db2.gz OQVWJUCABQIWMD-UHFFFAOYSA-N 0 0 246.213 3.017 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(C)C ZINC000088534468 343726875 /nfs/dbraw/zinc/72/68/75/343726875.db2.gz KFNIUIOBHNILFI-UHFFFAOYSA-N 0 0 208.261 3.032 20 5 BGBDRN CCCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606790 387487769 /nfs/dbraw/zinc/48/77/69/387487769.db2.gz FKQXPEJBNOOJDK-UHFFFAOYSA-N 0 0 248.326 3.143 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccco2)c1 ZINC000088698796 345543286 /nfs/dbraw/zinc/54/32/86/345543286.db2.gz IFKKVDVUYGYORI-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(Oc2ccc(C)nc2)c1 ZINC000088703648 345544272 /nfs/dbraw/zinc/54/42/72/345544272.db2.gz DPRSRMZVYMXLQW-UHFFFAOYSA-N 0 0 244.250 3.399 20 5 BGBDRN CSC[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000088724381 256813824 /nfs/dbraw/zinc/81/38/24/256813824.db2.gz VKFURKUBKYLDRJ-VIFPVBQESA-N 0 0 240.328 3.067 20 5 BGBDRN CSC[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000088724385 387653154 /nfs/dbraw/zinc/65/31/54/387653154.db2.gz VKFURKUBKYLDRJ-SECBINFHSA-N 0 0 240.328 3.067 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC=CCC1 ZINC000088748922 356805514 /nfs/dbraw/zinc/80/55/14/356805514.db2.gz ASHFXOONQUTOAY-NSHDSACASA-N 0 0 232.283 3.424 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC=CCC1 ZINC000088748923 356805760 /nfs/dbraw/zinc/80/57/60/356805760.db2.gz ASHFXOONQUTOAY-LLVKDONJSA-N 0 0 232.283 3.424 20 5 BGBDRN COc1cc(N[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000088748980 135525780 /nfs/dbraw/zinc/52/57/80/135525780.db2.gz CSAWLTYOMNJAJD-JTQLQIEISA-N 0 0 248.282 3.124 20 5 BGBDRN COc1cc(N[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000088748981 135525534 /nfs/dbraw/zinc/52/55/34/135525534.db2.gz CSAWLTYOMNJAJD-SNVBAGLBSA-N 0 0 248.282 3.124 20 5 BGBDRN Cc1ccc(N[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000088749016 356805704 /nfs/dbraw/zinc/80/57/04/356805704.db2.gz BOYQFKOIJMZFOW-NSHDSACASA-N 0 0 232.283 3.424 20 5 BGBDRN Cc1ccc(N[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000088749017 135525502 /nfs/dbraw/zinc/52/55/02/135525502.db2.gz BOYQFKOIJMZFOW-LLVKDONJSA-N 0 0 232.283 3.424 20 5 BGBDRN C/C=C(\C)C(=O)Oc1ccc(CC)cc1[N+](=O)[O-] ZINC000089971236 644574360 /nfs/dbraw/zinc/57/43/60/644574360.db2.gz LUOVFGGMTBJDQM-RUDMXATFSA-N 0 0 249.266 3.029 20 5 BGBDRN CCCN(CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090448226 169138666 /nfs/dbraw/zinc/13/86/66/169138666.db2.gz UNFMGZKLECTAMI-UHFFFAOYSA-N 0 0 234.299 3.221 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1OCc1ccccc1 ZINC000090558639 388401902 /nfs/dbraw/zinc/40/19/02/388401902.db2.gz BGLTYBLRFPUHPJ-UHFFFAOYSA-N 0 0 247.225 3.313 20 5 BGBDRN Cc1cnc(N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090691972 388471650 /nfs/dbraw/zinc/47/16/50/388471650.db2.gz AYHNANACJXQLST-WDEREUQCSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090691973 386265432 /nfs/dbraw/zinc/26/54/32/386265432.db2.gz AYHNANACJXQLST-QWRGUYRKSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000090691974 386265489 /nfs/dbraw/zinc/26/54/89/386265489.db2.gz AYHNANACJXQLST-GHMZBOCLSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000090691975 388471752 /nfs/dbraw/zinc/47/17/52/388471752.db2.gz AYHNANACJXQLST-MNOVXSKESA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000090691987 179630452 /nfs/dbraw/zinc/63/04/52/179630452.db2.gz CFSICBANJLZZIC-UHFFFAOYSA-N 0 0 249.314 3.433 20 5 BGBDRN Cc1cnc(N[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691990 135551642 /nfs/dbraw/zinc/55/16/42/135551642.db2.gz LMPGZAZYQFGONJ-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691991 363562443 /nfs/dbraw/zinc/56/24/43/363562443.db2.gz LMPGZAZYQFGONJ-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691992 363561696 /nfs/dbraw/zinc/56/16/96/363561696.db2.gz LMPGZAZYQFGONJ-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691993 363562949 /nfs/dbraw/zinc/56/29/49/363562949.db2.gz LMPGZAZYQFGONJ-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(NCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000090691995 388471879 /nfs/dbraw/zinc/47/18/79/388471879.db2.gz PBYUYNLBUFOWDP-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1cnc(N[C@@H](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000090691996 363558614 /nfs/dbraw/zinc/55/86/14/363558614.db2.gz LVUVYPLMCPKUBT-JTQLQIEISA-N 0 0 237.303 3.145 20 5 BGBDRN Cc1cnc(N[C@H](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000090691997 363562890 /nfs/dbraw/zinc/56/28/90/363562890.db2.gz LVUVYPLMCPKUBT-SNVBAGLBSA-N 0 0 237.303 3.145 20 5 BGBDRN Cc1cnc(NCCC2CCCC2)c([N+](=O)[O-])c1 ZINC000090692043 363561966 /nfs/dbraw/zinc/56/19/66/363561966.db2.gz RSRLXXWWUNQROL-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1cnc(NCCCC(C)C)c([N+](=O)[O-])c1 ZINC000090692097 135552387 /nfs/dbraw/zinc/55/23/87/135552387.db2.gz VWRFUWYKCBHGMJ-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN Cc1cnc(NC2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000090692131 363562149 /nfs/dbraw/zinc/56/21/49/363562149.db2.gz OUXSYAPRRYYNQZ-UHFFFAOYSA-N 0 0 235.287 3.043 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692138 388471988 /nfs/dbraw/zinc/47/19/88/388471988.db2.gz GBVTYOYHJUIELO-NXEZZACHSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692139 171367757 /nfs/dbraw/zinc/36/77/57/171367757.db2.gz GBVTYOYHJUIELO-VHSXEESVSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692140 388471547 /nfs/dbraw/zinc/47/15/47/388471547.db2.gz GBVTYOYHJUIELO-ZJUUUORDSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692141 171392157 /nfs/dbraw/zinc/39/21/57/171392157.db2.gz GBVTYOYHJUIELO-UWVGGRQHSA-N 0 0 237.303 3.145 20 5 BGBDRN CCC[C@@H](CC)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692275 322961915 /nfs/dbraw/zinc/96/19/15/322961915.db2.gz YFVKCAWVEVWWEB-SNVBAGLBSA-N 0 0 237.303 3.289 20 5 BGBDRN CCC[C@H](CC)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692276 322961921 /nfs/dbraw/zinc/96/19/21/322961921.db2.gz YFVKCAWVEVWWEB-JTQLQIEISA-N 0 0 237.303 3.289 20 5 BGBDRN Cc1cnc(NCC2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000090692367 179631965 /nfs/dbraw/zinc/63/19/65/179631965.db2.gz DIALYSREKKFEOH-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN CCCCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692394 386265274 /nfs/dbraw/zinc/26/52/74/386265274.db2.gz PPSYQTCPZCQQDL-UHFFFAOYSA-N 0 0 237.303 3.290 20 5 BGBDRN Cc1cnc(NC[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000090692430 322961934 /nfs/dbraw/zinc/96/19/34/322961934.db2.gz WKOXMECBAXOFQG-SNVBAGLBSA-N 0 0 237.303 3.002 20 5 BGBDRN Cc1cnc(NC[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000090692431 388471810 /nfs/dbraw/zinc/47/18/10/388471810.db2.gz WKOXMECBAXOFQG-JTQLQIEISA-N 0 0 237.303 3.002 20 5 BGBDRN CCCCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000090783311 388586026 /nfs/dbraw/zinc/58/60/26/388586026.db2.gz OVSAVZQJAPQIIM-UHFFFAOYSA-N 0 0 238.287 3.206 20 5 BGBDRN COc1ccc([N+](=O)[O-])c(NCC(C)(C)C)c1 ZINC000090794569 135553939 /nfs/dbraw/zinc/55/39/39/135553939.db2.gz RZAJJYLWTXGGGB-UHFFFAOYSA-N 0 0 238.287 3.061 20 5 BGBDRN COc1ccc([N+](=O)[O-])c(N[C@H]2CC=CCC2)c1 ZINC000090794860 383844527 /nfs/dbraw/zinc/84/45/27/383844527.db2.gz WRKZZCVYSAAAQK-JTQLQIEISA-N 0 0 248.282 3.124 20 5 BGBDRN COc1ccc([N+](=O)[O-])c(N[C@@H]2CC=CCC2)c1 ZINC000090794861 388606902 /nfs/dbraw/zinc/60/69/02/388606902.db2.gz WRKZZCVYSAAAQK-SNVBAGLBSA-N 0 0 248.282 3.124 20 5 BGBDRN CSCCSCc1ccc([N+](=O)[O-])cc1 ZINC000091007535 388590029 /nfs/dbraw/zinc/59/00/29/388590029.db2.gz YBINCTAFVOIXAK-UHFFFAOYSA-N 0 0 243.353 3.191 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CCC2)cc1 ZINC000091480670 345594096 /nfs/dbraw/zinc/59/40/96/345594096.db2.gz JUWWZJFVZKSKOB-CQSZACIVSA-N 0 0 246.310 3.364 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CCC2)cc1 ZINC000091480672 345594425 /nfs/dbraw/zinc/59/44/25/345594425.db2.gz JUWWZJFVZKSKOB-AWEZNQCLSA-N 0 0 246.310 3.364 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000091484522 353408669 /nfs/dbraw/zinc/40/86/69/353408669.db2.gz NHQTZAUVGPPROG-RISCZKNCSA-N 0 0 246.310 3.364 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000091484523 345594691 /nfs/dbraw/zinc/59/46/91/345594691.db2.gz NHQTZAUVGPPROG-FZMZJTMJSA-N 0 0 246.310 3.364 20 5 BGBDRN CCc1c[nH]c(Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000091486088 345595805 /nfs/dbraw/zinc/59/58/05/345595805.db2.gz BKBXQABGYFXZHW-UHFFFAOYSA-N 0 0 249.295 3.032 20 5 BGBDRN O=[N+]([O-])c1ccc(Sc2ccncc2)cc1 ZINC000091503863 345595760 /nfs/dbraw/zinc/59/57/60/345595760.db2.gz LFRFSZKXFOQYQY-UHFFFAOYSA-N 0 0 232.264 3.141 20 5 BGBDRN CCSCCOc1cccc(C)c1[N+](=O)[O-] ZINC000091588716 388638621 /nfs/dbraw/zinc/63/86/21/388638621.db2.gz ZHFHMLCGGJCIRL-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN CCSCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000091588720 388638878 /nfs/dbraw/zinc/63/88/78/388638878.db2.gz FUHLIWUWSMCGEX-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN CCSCCOc1ccc([N+](=O)[O-])cc1C ZINC000091588721 398294383 /nfs/dbraw/zinc/29/43/83/398294383.db2.gz OLOPHJHUWNMPJR-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN Cc1cc(N[C@@H]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000092026733 384879749 /nfs/dbraw/zinc/87/97/49/384879749.db2.gz ZWBFXFPFBALPGY-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@H]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000092026734 178188857 /nfs/dbraw/zinc/18/88/57/178188857.db2.gz ZWBFXFPFBALPGY-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@@H]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000092026735 385094777 /nfs/dbraw/zinc/09/47/77/385094777.db2.gz ZWBFXFPFBALPGY-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@H]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000092026736 178188707 /nfs/dbraw/zinc/18/87/07/178188707.db2.gz ZWBFXFPFBALPGY-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(NC2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000092026741 178155271 /nfs/dbraw/zinc/15/52/71/178155271.db2.gz HOKGMOCIQQEPLL-UHFFFAOYSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(NC2CCCCCC2)ncc1[N+](=O)[O-] ZINC000092026747 178154739 /nfs/dbraw/zinc/15/47/39/178154739.db2.gz QHSDARABMAZZNA-UHFFFAOYSA-N 0 0 249.314 3.433 20 5 BGBDRN Cc1cc(N[C@H]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026750 178188279 /nfs/dbraw/zinc/18/82/79/178188279.db2.gz FQZHGSCSLVVEEQ-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@@H]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026751 384656112 /nfs/dbraw/zinc/65/61/12/384656112.db2.gz FQZHGSCSLVVEEQ-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@H]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026752 178188882 /nfs/dbraw/zinc/18/88/82/178188882.db2.gz FQZHGSCSLVVEEQ-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(NCC2CCCCC2)ncc1[N+](=O)[O-] ZINC000092026755 256582599 /nfs/dbraw/zinc/58/25/99/256582599.db2.gz WXVQYNONCAOAOF-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1cc(N[C@@H](C)CC(C)C)ncc1[N+](=O)[O-] ZINC000092026756 385018196 /nfs/dbraw/zinc/01/81/96/385018196.db2.gz SOAAZQBFNJOKQB-JTQLQIEISA-N 0 0 237.303 3.145 20 5 BGBDRN Cc1cc(N[C@H](C)CC(C)C)ncc1[N+](=O)[O-] ZINC000092026757 178186202 /nfs/dbraw/zinc/18/62/02/178186202.db2.gz SOAAZQBFNJOKQB-SNVBAGLBSA-N 0 0 237.303 3.145 20 5 BGBDRN Cc1cc(NCCC2CCCC2)ncc1[N+](=O)[O-] ZINC000092026798 178158566 /nfs/dbraw/zinc/15/85/66/178158566.db2.gz BTTUVWQBWQXRMW-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1cc(NCCCC(C)C)ncc1[N+](=O)[O-] ZINC000092026853 178157638 /nfs/dbraw/zinc/15/76/38/178157638.db2.gz MKAJHQLEWZOANH-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN Cc1cc(NC2(C)CCCC2)ncc1[N+](=O)[O-] ZINC000092026896 346582995 /nfs/dbraw/zinc/58/29/95/346582995.db2.gz ZFLGRSFLXQNUTN-UHFFFAOYSA-N 0 0 235.287 3.043 20 5 BGBDRN CCC[C@@H](CC)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000092027105 256582821 /nfs/dbraw/zinc/58/28/21/256582821.db2.gz CSHOXBFVKDRCMN-SNVBAGLBSA-N 0 0 237.303 3.289 20 5 BGBDRN CCC[C@H](CC)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000092027106 388732794 /nfs/dbraw/zinc/73/27/94/388732794.db2.gz CSHOXBFVKDRCMN-JTQLQIEISA-N 0 0 237.303 3.289 20 5 BGBDRN Cc1cc(NCC2(C)CCCC2)ncc1[N+](=O)[O-] ZINC000092027231 178157072 /nfs/dbraw/zinc/15/70/72/178157072.db2.gz MPJODTNPFFDIEL-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1cc(N[C@@H](C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000092027277 385373208 /nfs/dbraw/zinc/37/32/08/385373208.db2.gz KREHBIUNNLNVHS-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@H](C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000092027278 385308233 /nfs/dbraw/zinc/30/82/33/385308233.db2.gz KREHBIUNNLNVHS-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN CCCCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000092027279 397796735 /nfs/dbraw/zinc/79/67/35/397796735.db2.gz XNXAOBLDZVVPES-UHFFFAOYSA-N 0 0 237.303 3.290 20 5 BGBDRN CC(C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092581253 345639429 /nfs/dbraw/zinc/63/94/29/345639429.db2.gz CQUMTHUQOOYFLI-UHFFFAOYSA-N 0 0 246.213 3.017 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1Nc1ccccc1 ZINC000092581279 345639259 /nfs/dbraw/zinc/63/92/59/345639259.db2.gz IUCNDHOHCXMCQG-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1Nc1ccc(F)cc1 ZINC000092581294 345639458 /nfs/dbraw/zinc/63/94/58/345639458.db2.gz CNQIYOKAYCUZIW-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1Oc1ccc(F)cc1 ZINC000092581454 345639253 /nfs/dbraw/zinc/63/92/53/345639253.db2.gz AWGVGGAQKYWNIV-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1Sc1ccccc1 ZINC000092581517 345639092 /nfs/dbraw/zinc/63/90/92/345639092.db2.gz OZNXNVGHKMXVBT-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1Oc1cccc(F)c1 ZINC000092581567 345639227 /nfs/dbraw/zinc/63/92/27/345639227.db2.gz RHGQDPBNXMRZGY-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1SC1CCCC1 ZINC000092582033 345640183 /nfs/dbraw/zinc/64/01/83/345640183.db2.gz DZMNQBQEQLQCQU-UHFFFAOYSA-N 0 0 238.312 3.333 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)C(C)C ZINC000092658869 345634740 /nfs/dbraw/zinc/63/47/40/345634740.db2.gz YZNNIQPWHIUFEJ-VIFPVBQESA-N 0 0 240.328 3.435 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1S[C@H](C)C(C)C ZINC000092658870 345634673 /nfs/dbraw/zinc/63/46/73/345634673.db2.gz YZNNIQPWHIUFEJ-SECBINFHSA-N 0 0 240.328 3.435 20 5 BGBDRN Cc1cc(Oc2cccnc2F)ccc1[N+](=O)[O-] ZINC000092671696 345635273 /nfs/dbraw/zinc/63/52/73/345635273.db2.gz MDWALYGETGDJEG-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN Cc1cc(Sc2ccncc2)ccc1[N+](=O)[O-] ZINC000092686855 345635801 /nfs/dbraw/zinc/63/58/01/345635801.db2.gz MLJACWORPYNJGG-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN Cc1cc(Oc2ccc(F)nc2)ccc1[N+](=O)[O-] ZINC000092687112 345635761 /nfs/dbraw/zinc/63/57/61/345635761.db2.gz SHLVUCOIUNLTNF-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN CS[C@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000092687812 488149596 /nfs/dbraw/zinc/14/95/96/488149596.db2.gz OCCDREPAFKSJEK-SECBINFHSA-N 0 0 240.328 3.067 20 5 BGBDRN CS[C@@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000092687813 488150255 /nfs/dbraw/zinc/15/02/55/488150255.db2.gz OCCDREPAFKSJEK-VIFPVBQESA-N 0 0 240.328 3.067 20 5 BGBDRN Cc1cc(NC2(C)CCC2)ccc1[N+](=O)[O-] ZINC000092688521 178153491 /nfs/dbraw/zinc/15/34/91/178153491.db2.gz XYXYUYUIBDRBAF-UHFFFAOYSA-N 0 0 220.272 3.258 20 5 BGBDRN CC1(C)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093460237 345671842 /nfs/dbraw/zinc/67/18/42/345671842.db2.gz CNOMWUIEFXOORX-FNORWQNLSA-N 0 0 246.310 3.092 20 5 BGBDRN Cc1cc(N[C@@H]2CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000094267177 178181082 /nfs/dbraw/zinc/18/10/82/178181082.db2.gz BXFKSJFSDONLRZ-LLVKDONJSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@H]2CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000094267178 178188926 /nfs/dbraw/zinc/18/89/26/178188926.db2.gz BXFKSJFSDONLRZ-NSHDSACASA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000094267233 386994444 /nfs/dbraw/zinc/99/44/44/386994444.db2.gz JJUPDNQEDDVWSH-LLVKDONJSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000094267234 386446837 /nfs/dbraw/zinc/44/68/37/386446837.db2.gz JJUPDNQEDDVWSH-NSHDSACASA-N 0 0 249.314 3.289 20 5 BGBDRN CC1(C)CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000094326295 387487912 /nfs/dbraw/zinc/48/79/12/387487912.db2.gz DANZPWLGVJVABG-NSHDSACASA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000094326296 398314946 /nfs/dbraw/zinc/31/49/46/398314946.db2.gz DANZPWLGVJVABG-LLVKDONJSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000094326347 387479697 /nfs/dbraw/zinc/47/96/97/387479697.db2.gz ZTWOIBPIYRORGN-NSHDSACASA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000094326348 387499490 /nfs/dbraw/zinc/49/94/90/387499490.db2.gz ZTWOIBPIYRORGN-LLVKDONJSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000094326381 323188996 /nfs/dbraw/zinc/18/89/96/323188996.db2.gz DAZNGLZDIBNVBX-NSHDSACASA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000094326382 323188988 /nfs/dbraw/zinc/18/89/88/323188988.db2.gz DAZNGLZDIBNVBX-LLVKDONJSA-N 0 0 249.314 3.371 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccco2)c1 ZINC000094659333 388636508 /nfs/dbraw/zinc/63/65/08/388636508.db2.gz WFUSEQKEPQTPLF-UHFFFAOYSA-N 0 0 232.239 3.108 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC=CCC2)c1 ZINC000094659774 259452562 /nfs/dbraw/zinc/45/25/62/259452562.db2.gz KKSHFBFNUSSVEI-NSHDSACASA-N 0 0 232.283 3.424 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC=CCC2)c1 ZINC000094659775 388643766 /nfs/dbraw/zinc/64/37/66/388643766.db2.gz KKSHFBFNUSSVEI-LLVKDONJSA-N 0 0 232.283 3.424 20 5 BGBDRN CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000094728366 170174451 /nfs/dbraw/zinc/17/44/51/170174451.db2.gz HINKDAGZPADUIR-UHFFFAOYSA-N 0 0 243.266 3.089 20 5 BGBDRN CCC(CC)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771631 360317215 /nfs/dbraw/zinc/31/72/15/360317215.db2.gz JSTHLBQMSKOUCI-UHFFFAOYSA-N 0 0 248.286 3.072 20 5 BGBDRN CCC[C@@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771637 363020011 /nfs/dbraw/zinc/02/00/11/363020011.db2.gz SYGHTKLQPURTIR-MRVPVSSYSA-N 0 0 248.286 3.072 20 5 BGBDRN CCC[C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771638 363020061 /nfs/dbraw/zinc/02/00/61/363020061.db2.gz SYGHTKLQPURTIR-QMMMGPOBSA-N 0 0 248.286 3.072 20 5 BGBDRN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC000094869216 388720896 /nfs/dbraw/zinc/72/08/96/388720896.db2.gz ANKGESSFVDBBEF-JTQLQIEISA-N 0 0 246.266 3.039 20 5 BGBDRN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC000094869217 322977715 /nfs/dbraw/zinc/97/77/15/322977715.db2.gz ANKGESSFVDBBEF-SNVBAGLBSA-N 0 0 246.266 3.039 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(C)C ZINC000096033144 177877242 /nfs/dbraw/zinc/87/72/42/177877242.db2.gz AKSLBNSAJMBAIO-UHFFFAOYSA-N 0 0 208.261 3.032 20 5 BGBDRN COc1ccc([N+](=O)[O-])c(NCCC(C)C)c1 ZINC000096470298 343744242 /nfs/dbraw/zinc/74/42/42/343744242.db2.gz CBQMKCDKUQEXON-UHFFFAOYSA-N 0 0 238.287 3.061 20 5 BGBDRN CCC(CC)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000096470327 388819728 /nfs/dbraw/zinc/81/97/28/388819728.db2.gz FZNWUVWKVULPMF-UHFFFAOYSA-N 0 0 238.287 3.204 20 5 BGBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000096609767 642336815 /nfs/dbraw/zinc/33/68/15/642336815.db2.gz OKAUJUZDZHWCPB-VIFPVBQESA-N 0 0 237.303 3.084 20 5 BGBDRN C[C@H](CNc1ccc([N+](=O)[O-])cn1)C(C)(C)C ZINC000096609768 635622143 /nfs/dbraw/zinc/62/21/43/635622143.db2.gz OKAUJUZDZHWCPB-SECBINFHSA-N 0 0 237.303 3.084 20 5 BGBDRN C[C@@H](CNc1ncccc1[N+](=O)[O-])C(C)(C)C ZINC000096609837 635622551 /nfs/dbraw/zinc/62/25/51/635622551.db2.gz DONLCDVAPRHXMS-VIFPVBQESA-N 0 0 237.303 3.084 20 5 BGBDRN C[C@H](CNc1ncccc1[N+](=O)[O-])C(C)(C)C ZINC000096609838 635622422 /nfs/dbraw/zinc/62/24/22/635622422.db2.gz DONLCDVAPRHXMS-SECBINFHSA-N 0 0 237.303 3.084 20 5 BGBDRN C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(C)(C)C ZINC000096687030 642341084 /nfs/dbraw/zinc/34/10/84/642341084.db2.gz MADUSKNEUOBDSM-VIFPVBQESA-N 0 0 237.303 3.084 20 5 BGBDRN C[C@H](CNc1ccc([N+](=O)[O-])nc1)C(C)(C)C ZINC000096687031 644832180 /nfs/dbraw/zinc/83/21/80/644832180.db2.gz MADUSKNEUOBDSM-SECBINFHSA-N 0 0 237.303 3.084 20 5 BGBDRN CSCCCNc1c(C)cccc1[N+](=O)[O-] ZINC000096731347 175488352 /nfs/dbraw/zinc/48/83/52/175488352.db2.gz FXSZWHROLXSHOZ-UHFFFAOYSA-N 0 0 240.328 3.068 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CC=CCC1 ZINC000096731349 383909118 /nfs/dbraw/zinc/90/91/18/383909118.db2.gz CZSOSORGTZRXIC-NSHDSACASA-N 0 0 232.283 3.424 20 5 BGBDRN 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383997529 /nfs/dbraw/zinc/99/75/29/383997529.db2.gz LPGUFPTYJOFRAK-UHFFFAOYSA-N 0 0 223.272 3.472 20 5 BGBDRN CCCCCOc1ccc([N+](=O)[O-])cc1F ZINC000097336333 383990369 /nfs/dbraw/zinc/99/03/69/383990369.db2.gz WJQAZMUMFQPDLX-UHFFFAOYSA-N 0 0 227.235 3.303 20 5 BGBDRN CCCCOc1cccc([N+](=O)[O-])c1C ZINC000097336340 342733531 /nfs/dbraw/zinc/73/35/31/342733531.db2.gz FKGJUSGYYUKSAR-UHFFFAOYSA-N 0 0 209.245 3.082 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NCCC1CC1 ZINC000097635730 179206134 /nfs/dbraw/zinc/20/61/34/179206134.db2.gz AEESZUYJLALMQV-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NCCC(F)(F)F ZINC000097635741 387251399 /nfs/dbraw/zinc/25/13/99/387251399.db2.gz MPPKEZSBJHSXGG-UHFFFAOYSA-N 0 0 248.204 3.268 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCCC(F)(F)F)cc1 ZINC000097987359 384404313 /nfs/dbraw/zinc/40/43/13/384404313.db2.gz AQTOJWZOSMXIKR-UHFFFAOYSA-N 0 0 248.204 3.349 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCCCC(F)(F)F ZINC000097987361 398255746 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3.247 20 5 BGBDRN CCCSCc1ccc([N+](=O)[O-])cc1 ZINC000105629373 169339422 /nfs/dbraw/zinc/33/94/22/169339422.db2.gz OLOHSMBHIZMPOG-UHFFFAOYSA-N 0 0 211.286 3.238 20 5 BGBDRN CCSCc1cccc([N+](=O)[O-])c1C ZINC000105632382 384795466 /nfs/dbraw/zinc/79/54/66/384795466.db2.gz HWZPXVLBAGOVHL-UHFFFAOYSA-N 0 0 211.286 3.156 20 5 BGBDRN CCS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000105632442 170647171 /nfs/dbraw/zinc/64/71/71/170647171.db2.gz KJGSZOPZRACFGK-QMMMGPOBSA-N 0 0 211.286 3.409 20 5 BGBDRN CCS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000105632446 384876915 /nfs/dbraw/zinc/87/69/15/384876915.db2.gz KJGSZOPZRACFGK-MRVPVSSYSA-N 0 0 211.286 3.409 20 5 BGBDRN COc1ccc(CSC(C)C)cc1[N+](=O)[O-] ZINC000105635495 175114318 /nfs/dbraw/zinc/11/43/18/175114318.db2.gz BLQUGGAEKMGOFG-UHFFFAOYSA-N 0 0 241.312 3.245 20 5 BGBDRN CC(C)SCc1ccccc1[N+](=O)[O-] ZINC000105635510 167335076 /nfs/dbraw/zinc/33/50/76/167335076.db2.gz SDUNNJHULQJYOD-UHFFFAOYSA-N 0 0 211.286 3.236 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1CSC(C)C ZINC000105635513 175201229 /nfs/dbraw/zinc/20/12/29/175201229.db2.gz AWKDGGQYWTWVRY-UHFFFAOYSA-N 0 0 241.312 3.245 20 5 BGBDRN CC(C)SCc1ccc([N+](=O)[O-])cc1 ZINC000105635552 167335790 /nfs/dbraw/zinc/33/57/90/167335790.db2.gz YEWHQIRPCSNUHU-UHFFFAOYSA-N 0 0 211.286 3.236 20 5 BGBDRN CCCCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105794276 397785575 /nfs/dbraw/zinc/78/55/75/397785575.db2.gz HUPZDZOXAZEIOB-UHFFFAOYSA-N 0 0 248.286 3.073 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1Cc2ccccc2C1 ZINC000106066017 182950807 /nfs/dbraw/zinc/95/08/07/182950807.db2.gz SBFJXRFSJUTKJB-UHFFFAOYSA-N 0 0 240.262 3.115 20 5 BGBDRN O=[N+]([O-])c1ccc(F)cc1OCC1CCCC1 ZINC000106779000 635346467 /nfs/dbraw/zinc/34/64/67/635346467.db2.gz TVHOOEXQZNYGMD-UHFFFAOYSA-N 0 0 239.246 3.303 20 5 BGBDRN C[C@H](Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000107832165 635491238 /nfs/dbraw/zinc/49/12/38/635491238.db2.gz XCAPJFCPBLDRRM-QMMMGPOBSA-N 0 0 249.295 3.224 20 5 BGBDRN C[C@@H](Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000107832171 631767403 /nfs/dbraw/zinc/76/74/03/631767403.db2.gz XCAPJFCPBLDRRM-MRVPVSSYSA-N 0 0 249.295 3.224 20 5 BGBDRN C/C=C/CSCc1cccc([N+](=O)[O-])c1 ZINC000108408768 188346142 /nfs/dbraw/zinc/34/61/42/188346142.db2.gz GBRCCMANQKPETN-NSCUHMNNSA-N 0 0 223.297 3.404 20 5 BGBDRN CCCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000108412554 169339374 /nfs/dbraw/zinc/33/93/74/169339374.db2.gz QFNYGOINNBFHCR-UHFFFAOYSA-N 0 0 241.312 3.117 20 5 BGBDRN CC(C)SCCOc1ccc([N+](=O)[O-])cc1 ZINC000108414549 167333912 /nfs/dbraw/zinc/33/39/12/167333912.db2.gz PZHHGTGNQIGGGO-UHFFFAOYSA-N 0 0 241.312 3.115 20 5 BGBDRN C/C=C/CSCc1ccc([N+](=O)[O-])cc1 ZINC000108414989 397870762 /nfs/dbraw/zinc/87/07/62/397870762.db2.gz LPPMCEIZAMMFIS-NSCUHMNNSA-N 0 0 223.297 3.404 20 5 BGBDRN C/C=C/CSc1ccc([N+](=O)[O-])cc1 ZINC000108414991 397870805 /nfs/dbraw/zinc/87/08/05/397870805.db2.gz DLTQBHBNOVHPAH-NSCUHMNNSA-N 0 0 209.270 3.263 20 5 BGBDRN C/C=C/CSCc1ccccc1[N+](=O)[O-] ZINC000108415368 384670256 /nfs/dbraw/zinc/67/02/56/384670256.db2.gz 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229.663 3.283 20 5 BGBDRN Cc1c(-c2nc(C(C)C)no2)cccc1[N+](=O)[O-] ZINC000130668892 344169725 /nfs/dbraw/zinc/16/97/25/344169725.db2.gz HFMQNWCTOGZIDP-UHFFFAOYSA-N 0 0 247.254 3.077 20 5 BGBDRN Cc1cc(-c2nc(C(C)C)no2)ccc1[N+](=O)[O-] ZINC000130763627 344191027 /nfs/dbraw/zinc/19/10/27/344191027.db2.gz RACSIEPPAUOENP-UHFFFAOYSA-N 0 0 247.254 3.077 20 5 BGBDRN Cc1cc(NC2CC=CC2)ccc1[N+](=O)[O-] ZINC000131091238 178154966 /nfs/dbraw/zinc/15/49/66/178154966.db2.gz BPNSXPWKHKQXIG-UHFFFAOYSA-N 0 0 218.256 3.034 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1NC1CC=CC1 ZINC000131093016 388837301 /nfs/dbraw/zinc/83/73/01/388837301.db2.gz XNDFHOILKHSSOC-UHFFFAOYSA-N 0 0 238.674 3.379 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CC=CC2)c(Cl)c1 ZINC000131098413 182935173 /nfs/dbraw/zinc/93/51/73/182935173.db2.gz HOKCSHOTLMAIMG-UHFFFAOYSA-N 0 0 238.674 3.379 20 5 BGBDRN Cc1ccc(NC2CC=CC2)c([N+](=O)[O-])c1 ZINC000131101235 178756493 /nfs/dbraw/zinc/75/64/93/178756493.db2.gz ZDCACOKNUYCYHF-UHFFFAOYSA-N 0 0 218.256 3.034 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NC1CC=CC1 ZINC000131111068 179206865 /nfs/dbraw/zinc/20/68/65/179206865.db2.gz QUPIKSTURSKKEF-UHFFFAOYSA-N 0 0 218.256 3.034 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NC1CC=CC1 ZINC000131112130 178272402 /nfs/dbraw/zinc/27/24/02/178272402.db2.gz VZVQZKRXDARWFV-UHFFFAOYSA-N 0 0 218.256 3.034 20 5 BGBDRN CSCCCOc1cccc(C)c1[N+](=O)[O-] ZINC000131211873 385319954 /nfs/dbraw/zinc/31/99/54/385319954.db2.gz MZUNRHVEYMNZID-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN Cc1cccc(OCC2CCC2)c1[N+](=O)[O-] ZINC000131296918 179164458 /nfs/dbraw/zinc/16/44/58/179164458.db2.gz IYXDUHDIKWMJSU-UHFFFAOYSA-N 0 0 221.256 3.082 20 5 BGBDRN O=[N+]([O-])c1ccc(CSCC(F)F)cc1 ZINC000131372664 388345358 /nfs/dbraw/zinc/34/53/58/388345358.db2.gz JNORYPDEHDMHLA-UHFFFAOYSA-N 0 0 233.239 3.093 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1NC/C=C/Cl ZINC000131403303 591607994 /nfs/dbraw/zinc/60/79/94/591607994.db2.gz SPTJNTWTCRTAHP-GORDUTHDSA-N 0 0 226.663 3.068 20 5 BGBDRN CSCCCOc1ccc([N+](=O)[O-])cc1C ZINC000131421316 325148549 /nfs/dbraw/zinc/14/85/49/325148549.db2.gz OJAQQXSBUYVFAK-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN O=[N+]([O-])c1cc(NC/C=C/Cl)ccc1Cl ZINC000131422081 591607519 /nfs/dbraw/zinc/60/75/19/591607519.db2.gz PPTAITHYKFEZOU-DAFODLJHSA-N 0 0 247.081 3.413 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1OC/C=C/Cl ZINC000131422518 591608355 /nfs/dbraw/zinc/60/83/55/591608355.db2.gz ILRRMDOKISDNHZ-GORDUTHDSA-N 0 0 227.647 3.035 20 5 BGBDRN Cc1c(NC/C=C/Cl)cccc1[N+](=O)[O-] ZINC000131424694 591607987 /nfs/dbraw/zinc/60/79/87/591607987.db2.gz MVTAFDXWEFSEGU-ZZXKWVIFSA-N 0 0 226.663 3.068 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CCC2(CCC2)C1 ZINC000131434905 179207037 /nfs/dbraw/zinc/20/70/37/179207037.db2.gz TVTAJMGFRLLGFD-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CCC2(CCC2)C1 ZINC000131453344 178271368 /nfs/dbraw/zinc/27/13/68/178271368.db2.gz HWKGKPVOKXMEQW-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1OCCC(F)(F)F ZINC000131503546 178272631 /nfs/dbraw/zinc/27/26/31/178272631.db2.gz MORZEGXEUXUMNX-UHFFFAOYSA-N 0 0 249.188 3.234 20 5 BGBDRN CSCCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000131608798 387950620 /nfs/dbraw/zinc/95/06/20/387950620.db2.gz KXLPZVAMWXPHSM-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN Cc1ccc(OC/C=C/Cl)cc1[N+](=O)[O-] ZINC000131610819 591627916 /nfs/dbraw/zinc/62/79/16/591627916.db2.gz AFOVQLXDERWBGG-GORDUTHDSA-N 0 0 227.647 3.035 20 5 BGBDRN O=[N+]([O-])c1ccccc1Sc1cccc(O)c1 ZINC000131667563 388349846 /nfs/dbraw/zinc/34/98/46/388349846.db2.gz XPWFTNMRUNJHHG-UHFFFAOYSA-N 0 0 247.275 3.452 20 5 BGBDRN Cc1ccc(OCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000131733117 388350100 /nfs/dbraw/zinc/35/01/00/388350100.db2.gz WWRCKBKRPFVQIM-UHFFFAOYSA-N 0 0 249.188 3.234 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1OC/C=C/Cl ZINC000132237035 591694514 /nfs/dbraw/zinc/69/45/14/591694514.db2.gz OCMJJYWHRCNCHX-DAFODLJHSA-N 0 0 248.065 3.380 20 5 BGBDRN CCCCCOc1ccc([N+](=O)[O-])cc1OC ZINC000132243462 323014646 /nfs/dbraw/zinc/01/46/46/323014646.db2.gz VOPVKDZXTPMKGU-UHFFFAOYSA-N 0 0 239.271 3.172 20 5 BGBDRN C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000132276741 191102534 /nfs/dbraw/zinc/10/25/34/191102534.db2.gz CRCUUGAVVULZKR-HTQZYQBOSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000132276955 191030948 /nfs/dbraw/zinc/03/09/48/191030948.db2.gz CRCUUGAVVULZKR-JGVFFNPUSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000132277162 191030951 /nfs/dbraw/zinc/03/09/51/191030951.db2.gz CRCUUGAVVULZKR-SFYZADRCSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000132277386 191030498 /nfs/dbraw/zinc/03/04/98/191030498.db2.gz CRCUUGAVVULZKR-YUMQZZPRSA-N 0 0 240.690 3.316 20 5 BGBDRN CC(C)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000132688604 591731334 /nfs/dbraw/zinc/73/13/34/591731334.db2.gz IWGRICQUMOBYMX-UHFFFAOYSA-N 0 0 229.663 3.283 20 5 BGBDRN CCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000132689448 169325353 /nfs/dbraw/zinc/32/53/53/169325353.db2.gz SYEATNBLJBWIKB-UHFFFAOYSA-N 0 0 215.636 3.037 20 5 BGBDRN C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000132807272 711979216 /nfs/dbraw/zinc/97/92/16/711979216.db2.gz MJAWZHBXDCCJPW-QMMMGPOBSA-N 0 0 238.262 3.192 20 5 BGBDRN C[C@H](CNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000132807469 711979096 /nfs/dbraw/zinc/97/90/96/711979096.db2.gz MJAWZHBXDCCJPW-MRVPVSSYSA-N 0 0 238.262 3.192 20 5 BGBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000132807696 371925678 /nfs/dbraw/zinc/92/56/78/371925678.db2.gz XFIYIUJGARKULM-QMMMGPOBSA-N 0 0 238.262 3.192 20 5 BGBDRN C[C@H](CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000132807888 371926666 /nfs/dbraw/zinc/92/66/66/371926666.db2.gz XFIYIUJGARKULM-MRVPVSSYSA-N 0 0 238.262 3.192 20 5 BGBDRN Cc1cc(NC[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000132809772 371926675 /nfs/dbraw/zinc/92/66/75/371926675.db2.gz QBTUMROWXUWBFO-SNVBAGLBSA-N 0 0 234.299 3.361 20 5 BGBDRN Cc1cc(NC[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000132809966 371927985 /nfs/dbraw/zinc/92/79/85/371927985.db2.gz QBTUMROWXUWBFO-JTQLQIEISA-N 0 0 234.299 3.361 20 5 BGBDRN C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000132822400 371929847 /nfs/dbraw/zinc/92/98/47/371929847.db2.gz BNESEOMONSDKHR-QMMMGPOBSA-N 0 0 238.262 3.192 20 5 BGBDRN C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000132822615 371928916 /nfs/dbraw/zinc/92/89/16/371928916.db2.gz BNESEOMONSDKHR-MRVPVSSYSA-N 0 0 238.262 3.192 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCC(C)C ZINC000133119665 191037547 /nfs/dbraw/zinc/03/75/47/191037547.db2.gz UNGADFSRHBKPMV-UHFFFAOYSA-N 0 0 222.288 3.280 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000133222951 176234867 /nfs/dbraw/zinc/23/48/67/176234867.db2.gz RXBFYLQRGWQYGU-BDAKNGLRSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H]1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000133223147 177205463 /nfs/dbraw/zinc/20/54/63/177205463.db2.gz RXBFYLQRGWQYGU-IUCAKERBSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000133223342 176214689 /nfs/dbraw/zinc/21/46/89/176214689.db2.gz RXBFYLQRGWQYGU-RKDXNWHRSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H]1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000133223513 177194496 /nfs/dbraw/zinc/19/44/96/177194496.db2.gz RXBFYLQRGWQYGU-DTWKUNHWSA-N 0 0 238.262 3.334 20 5 BGBDRN O=[N+]([O-])c1cccc(Cl)c1NC1CC=CC1 ZINC000133319815 372022715 /nfs/dbraw/zinc/02/27/15/372022715.db2.gz NYGOWKQDTZZZND-UHFFFAOYSA-N 0 0 238.674 3.379 20 5 BGBDRN O=[N+]([O-])c1ccc(Cl)cc1NC1CC=CC1 ZINC000133335802 591787726 /nfs/dbraw/zinc/78/77/26/591787726.db2.gz RSMWAOHEIZCMMF-UHFFFAOYSA-N 0 0 238.674 3.379 20 5 BGBDRN CC(C)SCCOc1cccc([N+](=O)[O-])c1 ZINC000133661913 323019562 /nfs/dbraw/zinc/01/95/62/323019562.db2.gz GZKUPNNMKHJKJX-UHFFFAOYSA-N 0 0 241.312 3.115 20 5 BGBDRN CC(C)SCCOc1ccccc1[N+](=O)[O-] ZINC000133678050 325308682 /nfs/dbraw/zinc/30/86/82/325308682.db2.gz YTTMAVPLHPGUNY-UHFFFAOYSA-N 0 0 241.312 3.115 20 5 BGBDRN CCC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133810974 169380496 /nfs/dbraw/zinc/38/04/96/169380496.db2.gz IJKFTTMHQVDHLS-SNVBAGLBSA-N 0 0 237.303 3.289 20 5 BGBDRN CCC[C@H](CC)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133811188 398327770 /nfs/dbraw/zinc/32/77/70/398327770.db2.gz IJKFTTMHQVDHLS-JTQLQIEISA-N 0 0 237.303 3.289 20 5 BGBDRN CC1CCC(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000134383874 372201631 /nfs/dbraw/zinc/20/16/31/372201631.db2.gz PDISVTFTFAKTDT-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000134403194 342826116 /nfs/dbraw/zinc/82/61/16/342826116.db2.gz KFLJQJDQXADLAK-GHMZBOCLSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000134403219 342826004 /nfs/dbraw/zinc/82/60/04/342826004.db2.gz KFLJQJDQXADLAK-WDEREUQCSA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@@H]1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000134403238 342826100 /nfs/dbraw/zinc/82/61/00/342826100.db2.gz KFLJQJDQXADLAK-MNOVXSKESA-N 0 0 249.314 3.228 20 5 BGBDRN C[C@H]1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000134403263 342826094 /nfs/dbraw/zinc/82/60/94/342826094.db2.gz KFLJQJDQXADLAK-QWRGUYRKSA-N 0 0 249.314 3.228 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NCCC(C)(C)C ZINC000134470960 342856682 /nfs/dbraw/zinc/85/66/82/342856682.db2.gz JXRDMMLHMHRSCP-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(CC)CNc1ncc([N+](=O)[O-])cc1C ZINC000134471458 168366790 /nfs/dbraw/zinc/36/67/90/168366790.db2.gz KJXQWPVZRVQQMX-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NCc1ccoc1 ZINC000134508756 325362456 /nfs/dbraw/zinc/36/24/56/325362456.db2.gz JVPKICCOMHVING-UHFFFAOYSA-N 0 0 232.239 3.108 20 5 BGBDRN C[C@@H](CC1CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000134581290 325365955 /nfs/dbraw/zinc/36/59/55/325365955.db2.gz ORYMLOBWOCRCTN-QMMMGPOBSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H](CC1CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000134581308 325366197 /nfs/dbraw/zinc/36/61/97/325366197.db2.gz ORYMLOBWOCRCTN-MRVPVSSYSA-N 0 0 238.262 3.334 20 5 BGBDRN CC1(Nc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000134587748 325366020 /nfs/dbraw/zinc/36/60/20/325366020.db2.gz HVSKVHUSSNHNRO-UHFFFAOYSA-N 0 0 238.262 3.479 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000134650420 342874776 /nfs/dbraw/zinc/87/47/76/342874776.db2.gz NAKKKACGGIQKSB-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000134650465 342874775 /nfs/dbraw/zinc/87/47/75/342874775.db2.gz NAKKKACGGIQKSB-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H](CNc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000134664995 582498263 /nfs/dbraw/zinc/49/82/63/582498263.db2.gz OZCIJSJHVINUOX-VIFPVBQESA-N 0 0 237.303 3.084 20 5 BGBDRN C[C@H](CNc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000134665016 582498303 /nfs/dbraw/zinc/49/83/03/582498303.db2.gz OZCIJSJHVINUOX-SECBINFHSA-N 0 0 237.303 3.084 20 5 BGBDRN Cc1ccnc(NCCC(C)(C)C)c1[N+](=O)[O-] ZINC000134679259 342876202 /nfs/dbraw/zinc/87/62/02/342876202.db2.gz DKXUVYKYKRDHSP-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(CC)CNc1nccc(C)c1[N+](=O)[O-] ZINC000134679982 168365811 /nfs/dbraw/zinc/36/58/11/168365811.db2.gz ZKPSSHOTPPIUMR-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN C[C@@H]1CC(Nc2cccnc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000134724726 342880445 /nfs/dbraw/zinc/88/04/45/342880445.db2.gz WQNMJPNOFXQJOF-UWVGGRQHSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@H]1CC(Nc2cccnc2[N+](=O)[O-])C[C@H](C)C1 ZINC000134724747 342880276 /nfs/dbraw/zinc/88/02/76/342880276.db2.gz WQNMJPNOFXQJOF-NXEZZACHSA-N 0 0 249.314 3.226 20 5 BGBDRN CC[C@@H]1CCC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000134737393 342880882 /nfs/dbraw/zinc/88/08/82/342880882.db2.gz KYWPHWIMQZTCHL-MNOVXSKESA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@H]1CCC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000134737414 342880960 /nfs/dbraw/zinc/88/09/60/342880960.db2.gz KYWPHWIMQZTCHL-QWRGUYRKSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@@H]1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000134737437 342880890 /nfs/dbraw/zinc/88/08/90/342880890.db2.gz KYWPHWIMQZTCHL-GHMZBOCLSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@H]1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000134737457 342880820 /nfs/dbraw/zinc/88/08/20/342880820.db2.gz KYWPHWIMQZTCHL-WDEREUQCSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000134782654 342885857 /nfs/dbraw/zinc/88/58/57/342885857.db2.gz RQXDSMOSSSEIHE-UHFFFAOYSA-N 0 0 249.314 3.371 20 5 BGBDRN CC[C@@H](C)C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000134783128 342885939 /nfs/dbraw/zinc/88/59/39/342885939.db2.gz MJQMPHHDZKMEMT-NXEZZACHSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000134783148 342885959 /nfs/dbraw/zinc/88/59/59/342885959.db2.gz MJQMPHHDZKMEMT-VHSXEESVSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@@H](C)C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000134783174 342885813 /nfs/dbraw/zinc/88/58/13/342885813.db2.gz MJQMPHHDZKMEMT-ZJUUUORDSA-N 0 0 237.303 3.226 20 5 BGBDRN CC[C@H](C)C[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000134783196 342885793 /nfs/dbraw/zinc/88/57/93/342885793.db2.gz MJQMPHHDZKMEMT-UWVGGRQHSA-N 0 0 237.303 3.226 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1NCCCC1CC1 ZINC000134829738 325378314 /nfs/dbraw/zinc/37/83/14/325378314.db2.gz GQNLQMDRSQCYIV-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCCCC1CC1 ZINC000134829928 342895048 /nfs/dbraw/zinc/89/50/48/342895048.db2.gz FQFNKXODKCUUFU-UHFFFAOYSA-N 0 0 220.272 3.197 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCCC2CC2)c(F)c1 ZINC000134830142 325378361 /nfs/dbraw/zinc/37/83/61/325378361.db2.gz ISXJWBXNFJAXKT-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1c(F)cccc1NCCCC1CC1 ZINC000134830878 582507421 /nfs/dbraw/zinc/50/74/21/582507421.db2.gz JETZCKMVRKECOX-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC=CCC1 ZINC000134833053 182925107 /nfs/dbraw/zinc/92/51/07/182925107.db2.gz PAMNHTOZLFUDAB-JTQLQIEISA-N 0 0 236.246 3.255 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC=CCC1 ZINC000134833076 384425936 /nfs/dbraw/zinc/42/59/36/384425936.db2.gz PAMNHTOZLFUDAB-SNVBAGLBSA-N 0 0 236.246 3.255 20 5 BGBDRN CCOc1cccc(NCC(C)C)c1[N+](=O)[O-] ZINC000134900516 170581932 /nfs/dbraw/zinc/58/19/32/170581932.db2.gz FITVYHSQCALWNZ-UHFFFAOYSA-N 0 0 238.287 3.061 20 5 BGBDRN CCC(CC)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000134900624 325382013 /nfs/dbraw/zinc/38/20/13/325382013.db2.gz BFIWZRCKYDMIKH-UHFFFAOYSA-N 0 0 238.287 3.204 20 5 BGBDRN CCCCNc1cccc(OCC)c1[N+](=O)[O-] ZINC000134901349 384478099 /nfs/dbraw/zinc/47/80/99/384478099.db2.gz WGXHWTKITJPQBM-UHFFFAOYSA-N 0 0 238.287 3.206 20 5 BGBDRN CCCCCNc1cccc(OC)c1[N+](=O)[O-] ZINC000134901402 325382184 /nfs/dbraw/zinc/38/21/84/325382184.db2.gz ITWSDUJEJVIACN-UHFFFAOYSA-N 0 0 238.287 3.206 20 5 BGBDRN COc1cccc(NCCC(C)C)c1[N+](=O)[O-] ZINC000134901574 342920483 /nfs/dbraw/zinc/92/04/83/342920483.db2.gz CGXPHXQPHMMULW-UHFFFAOYSA-N 0 0 238.287 3.061 20 5 BGBDRN COc1cccc(NCC(C)(C)C)c1[N+](=O)[O-] ZINC000134908829 134725361 /nfs/dbraw/zinc/72/53/61/134725361.db2.gz HESPOVKJFKWXON-UHFFFAOYSA-N 0 0 238.287 3.061 20 5 BGBDRN CC(C)[C@@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000134910869 325382346 /nfs/dbraw/zinc/38/23/46/325382346.db2.gz IXDCHQYGLNPHFH-VIFPVBQESA-N 0 0 240.278 3.438 20 5 BGBDRN CC(C)[C@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000134910891 325382535 /nfs/dbraw/zinc/38/25/35/325382535.db2.gz IXDCHQYGLNPHFH-SECBINFHSA-N 0 0 240.278 3.438 20 5 BGBDRN CC[C@@H](C)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000134917432 358810811 /nfs/dbraw/zinc/81/08/11/358810811.db2.gz KNNWBVNKJRJVCL-SECBINFHSA-N 0 0 238.287 3.061 20 5 BGBDRN CC[C@H](C)CNc1cccc(OC)c1[N+](=O)[O-] ZINC000134917452 342968782 /nfs/dbraw/zinc/96/87/82/342968782.db2.gz KNNWBVNKJRJVCL-VIFPVBQESA-N 0 0 238.287 3.061 20 5 BGBDRN COc1cccc(N[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000134924735 325382757 /nfs/dbraw/zinc/38/27/57/325382757.db2.gz CWOZQRVYXULLOZ-JTQLQIEISA-N 0 0 248.282 3.124 20 5 BGBDRN COc1cccc(N[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000134924758 325382778 /nfs/dbraw/zinc/38/27/78/325382778.db2.gz CWOZQRVYXULLOZ-SNVBAGLBSA-N 0 0 248.282 3.124 20 5 BGBDRN CCC(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000135046158 168303410 /nfs/dbraw/zinc/30/34/10/168303410.db2.gz SAFLJFQFOWCBFM-UHFFFAOYSA-N 0 0 208.261 3.195 20 5 BGBDRN CCC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000135078037 168303117 /nfs/dbraw/zinc/30/31/17/168303117.db2.gz PFERMJGRGRMYMA-UHFFFAOYSA-N 0 0 243.694 3.244 20 5 BGBDRN Cc1cnc(NCCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000135266646 491125309 /nfs/dbraw/zinc/12/53/09/491125309.db2.gz FBTUCNSOHUBWQJ-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(CC)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000135266982 168365693 /nfs/dbraw/zinc/36/56/93/168365693.db2.gz HLPWWEQAVAWPFV-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(CC)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000135496557 168365380 /nfs/dbraw/zinc/36/53/80/168365380.db2.gz PMOBZCSKNQBFKT-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000135812115 168303014 /nfs/dbraw/zinc/30/30/14/168303014.db2.gz APHBOQXKJJXPBV-UHFFFAOYSA-N 0 0 226.251 3.334 20 5 BGBDRN CC(C)CSCc1ccccc1[N+](=O)[O-] ZINC000135989968 325436574 /nfs/dbraw/zinc/43/65/74/325436574.db2.gz AJUCLVPYWHLOAO-UHFFFAOYSA-N 0 0 225.313 3.484 20 5 BGBDRN C[C@@H]1C[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000136091123 384656386 /nfs/dbraw/zinc/65/63/86/384656386.db2.gz YQDFFZORJNUMJQ-HTQZYQBOSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@H]1C[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000136091162 325441195 /nfs/dbraw/zinc/44/11/95/325441195.db2.gz YQDFFZORJNUMJQ-JGVFFNPUSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@@H]1C[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000136091201 325440954 /nfs/dbraw/zinc/44/09/54/325440954.db2.gz YQDFFZORJNUMJQ-SFYZADRCSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@H]1C[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000136091228 325440958 /nfs/dbraw/zinc/44/09/58/325440958.db2.gz YQDFFZORJNUMJQ-YUMQZZPRSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136193195 345486603 /nfs/dbraw/zinc/48/66/03/345486603.db2.gz LBKSFPLFUSBWKB-VIFPVBQESA-N 0 0 220.272 3.053 20 5 BGBDRN C[C@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000136193237 345957530 /nfs/dbraw/zinc/95/75/30/345957530.db2.gz LBKSFPLFUSBWKB-SECBINFHSA-N 0 0 220.272 3.053 20 5 BGBDRN C[C@@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136193281 345957758 /nfs/dbraw/zinc/95/77/58/345957758.db2.gz MGULXJQOYSFNRN-VIFPVBQESA-N 0 0 220.272 3.053 20 5 BGBDRN C[C@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000136193313 345957569 /nfs/dbraw/zinc/95/75/69/345957569.db2.gz MGULXJQOYSFNRN-SECBINFHSA-N 0 0 220.272 3.053 20 5 BGBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCCC2)cc1 ZINC000136744718 325467563 /nfs/dbraw/zinc/46/75/63/325467563.db2.gz MPLUNWMISJXBMK-NSHDSACASA-N 0 0 219.240 3.082 20 5 BGBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCCC2)cc1 ZINC000136744765 325467468 /nfs/dbraw/zinc/46/74/68/325467468.db2.gz MPLUNWMISJXBMK-LLVKDONJSA-N 0 0 219.240 3.082 20 5 BGBDRN CC(C)=CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000137359604 345842245 /nfs/dbraw/zinc/84/22/45/345842245.db2.gz AMPCLJKDDMGUCR-UHFFFAOYSA-N 0 0 225.219 3.079 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@H]1C=CCCC1 ZINC000138388754 360640995 /nfs/dbraw/zinc/64/09/95/360640995.db2.gz OXNXXTOZMGYFFO-JTQLQIEISA-N 0 0 218.256 3.115 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C=CCCC1 ZINC000138388877 360640690 /nfs/dbraw/zinc/64/06/90/360640690.db2.gz OXNXXTOZMGYFFO-SNVBAGLBSA-N 0 0 218.256 3.115 20 5 BGBDRN O=[N+]([O-])c1cccc(SCC(F)(F)F)c1 ZINC000140156397 345700475 /nfs/dbraw/zinc/70/04/75/345700475.db2.gz GRINOOGJKXTHDY-UHFFFAOYSA-N 0 0 237.202 3.249 20 5 BGBDRN CCCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000140813436 191111554 /nfs/dbraw/zinc/11/15/54/191111554.db2.gz LXZWLFHZLFKABI-UHFFFAOYSA-N 0 0 209.245 3.082 20 5 BGBDRN Cc1ccc(Nc2cccnc2[N+](=O)[O-])cc1 ZINC000141202090 343090669 /nfs/dbraw/zinc/09/06/69/343090669.db2.gz NAUYOFMDAAQFPZ-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN CN(Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000141567564 345702737 /nfs/dbraw/zinc/70/27/37/345702737.db2.gz OBQHZWVSVVGFGD-UHFFFAOYSA-N 0 0 242.278 3.231 20 5 BGBDRN CC(C)(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000142114865 345704437 /nfs/dbraw/zinc/70/44/37/345704437.db2.gz ZQNOVYVAODJMFR-UHFFFAOYSA-N 0 0 223.272 3.410 20 5 BGBDRN CCCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000142865866 345877060 /nfs/dbraw/zinc/87/70/60/345877060.db2.gz XNGLBZUFAKGLSU-UHFFFAOYSA-N 0 0 245.282 3.355 20 5 BGBDRN CCCCOc1ccc([N+](=O)[O-])cc1C ZINC000143537233 345706807 /nfs/dbraw/zinc/70/68/07/345706807.db2.gz IUFXELNGSCIRJZ-UHFFFAOYSA-N 0 0 209.245 3.082 20 5 BGBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1F ZINC000143880176 361974405 /nfs/dbraw/zinc/97/44/05/361974405.db2.gz GCFNCXJLIYIGFY-UHFFFAOYSA-N 0 0 215.249 3.234 20 5 BGBDRN Cc1c(OCCC(C)C)cccc1[N+](=O)[O-] ZINC000144425266 374291533 /nfs/dbraw/zinc/29/15/33/374291533.db2.gz FZMUWJSCUXIHAA-UHFFFAOYSA-N 0 0 223.272 3.328 20 5 BGBDRN O=[N+]([O-])c1ncccc1SCc1ccccc1 ZINC000147536674 487683567 /nfs/dbraw/zinc/68/35/67/487683567.db2.gz GVRSHUBZMRIYBA-UHFFFAOYSA-N 0 0 246.291 3.282 20 5 BGBDRN Cc1cc(Oc2cccnc2)ccc1[N+](=O)[O-] ZINC000147981158 346031817 /nfs/dbraw/zinc/03/18/17/346031817.db2.gz HXWLDFKWFGCYGP-UHFFFAOYSA-N 0 0 230.223 3.091 20 5 BGBDRN CCC[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148452589 346146785 /nfs/dbraw/zinc/14/67/85/346146785.db2.gz MVFVBFIIQJQVKW-SSDOTTSWSA-N 0 0 243.694 3.244 20 5 BGBDRN CCC[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148452781 346146731 /nfs/dbraw/zinc/14/67/31/346146731.db2.gz MVFVBFIIQJQVKW-ZETCQYMHSA-N 0 0 243.694 3.244 20 5 BGBDRN CCCCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148453577 384537666 /nfs/dbraw/zinc/53/76/66/384537666.db2.gz ZDJWRBJZJLCSAG-UHFFFAOYSA-N 0 0 243.694 3.245 20 5 BGBDRN CC(C)(C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148482081 385114763 /nfs/dbraw/zinc/11/47/63/385114763.db2.gz AJVRCXOJURGDMD-UHFFFAOYSA-N 0 0 243.694 3.101 20 5 BGBDRN CC(C)COc1ccc([N+](=O)[O-])cc1Cl ZINC000148838791 343686803 /nfs/dbraw/zinc/68/68/03/343686803.db2.gz HTPUQBCXJLMBTB-UHFFFAOYSA-N 0 0 229.663 3.283 20 5 BGBDRN O=[N+]([O-])c1ccc(Sc2ccccc2)cn1 ZINC000149791857 345716820 /nfs/dbraw/zinc/71/68/20/345716820.db2.gz ACBQJMNQDQFUSS-UHFFFAOYSA-N 0 0 232.264 3.141 20 5 BGBDRN Cc1ccc(OCCC2CC2)cc1[N+](=O)[O-] ZINC000149802391 347521337 /nfs/dbraw/zinc/52/13/37/347521337.db2.gz OFSXAZVHWQIDAB-UHFFFAOYSA-N 0 0 221.256 3.082 20 5 BGBDRN CC(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000149961091 343462424 /nfs/dbraw/zinc/46/24/24/343462424.db2.gz HDSSVQIGJAKNAV-UHFFFAOYSA-N 0 0 209.245 3.020 20 5 BGBDRN CC1(C)CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000150087663 344429231 /nfs/dbraw/zinc/42/92/31/344429231.db2.gz XVBHMORBRGVJSQ-JTQLQIEISA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000150087895 167905098 /nfs/dbraw/zinc/90/50/98/167905098.db2.gz XVBHMORBRGVJSQ-SNVBAGLBSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000150117783 384711141 /nfs/dbraw/zinc/71/11/41/384711141.db2.gz NCNCTDMWYYUFGQ-JTQLQIEISA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000150117963 384711945 /nfs/dbraw/zinc/71/19/45/384711945.db2.gz NCNCTDMWYYUFGQ-SNVBAGLBSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000150128271 192916380 /nfs/dbraw/zinc/91/63/80/192916380.db2.gz JORIJQCZAZBIEA-JTQLQIEISA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000150128475 384716247 /nfs/dbraw/zinc/71/62/47/384716247.db2.gz JORIJQCZAZBIEA-SNVBAGLBSA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC[C@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000150167062 384724899 /nfs/dbraw/zinc/72/48/99/384724899.db2.gz JGZDPLMAIBBRER-JTQLQIEISA-N 0 0 249.314 3.371 20 5 BGBDRN CC1(C)CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000150167263 384725353 /nfs/dbraw/zinc/72/53/53/384725353.db2.gz JGZDPLMAIBBRER-SNVBAGLBSA-N 0 0 249.314 3.371 20 5 BGBDRN Cc1nc(NCC2(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000151519011 386108544 /nfs/dbraw/zinc/10/85/44/386108544.db2.gz SOYCOKQQQZLPCS-UHFFFAOYSA-N 0 0 249.314 3.146 20 5 BGBDRN CCC(=CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC ZINC000152424282 641571846 /nfs/dbraw/zinc/57/18/46/641571846.db2.gz PIACGQNTZNFSBE-UHFFFAOYSA-N 0 0 248.282 3.280 20 5 BGBDRN CSCCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000153731671 175489303 /nfs/dbraw/zinc/48/93/03/175489303.db2.gz VHJOSGPJKWTXEV-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN CSCCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000153732048 397742683 /nfs/dbraw/zinc/74/26/83/397742683.db2.gz ULXUXBPBXJQSIQ-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN CSCCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000153737992 175488395 /nfs/dbraw/zinc/48/83/95/175488395.db2.gz BNNHIIATQFUFKG-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN CSCCCOc1cccc([N+](=O)[O-])c1C ZINC000153809130 388637275 /nfs/dbraw/zinc/63/72/75/388637275.db2.gz CZKDSAVURJPAJU-UHFFFAOYSA-N 0 0 241.312 3.035 20 5 BGBDRN C/C=C(/C)C(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000154324704 642032998 /nfs/dbraw/zinc/03/29/98/642032998.db2.gz WYAUPLXXIPDNES-UITAMQMPSA-N 0 0 249.266 3.083 20 5 BGBDRN CSCc1c(Cl)cccc1[N+](=O)[O-] ZINC000154501942 191077620 /nfs/dbraw/zinc/07/76/20/191077620.db2.gz KQVZHXJAMWVWGS-UHFFFAOYSA-N 0 0 217.677 3.111 20 5 BGBDRN C/C=C(/C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000155499720 188333443 /nfs/dbraw/zinc/33/34/43/188333443.db2.gz ZADFFIHJGMCWMP-YVMONPNESA-N 0 0 248.282 3.116 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156414818 387975588 /nfs/dbraw/zinc/97/55/88/387975588.db2.gz JGJIKEZBLAOHDA-BDAKNGLRSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156414909 388806633 /nfs/dbraw/zinc/80/66/33/388806633.db2.gz JGJIKEZBLAOHDA-IUCAKERBSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156415065 388806683 /nfs/dbraw/zinc/80/66/83/388806683.db2.gz JGJIKEZBLAOHDA-RKDXNWHRSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H]1CC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156415188 191610003 /nfs/dbraw/zinc/61/00/03/191610003.db2.gz JGJIKEZBLAOHDA-DTWKUNHWSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H]1CCC[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000156415588 385267217 /nfs/dbraw/zinc/26/72/17/385267217.db2.gz YJKMYCSDHDKDJB-SCZZXKLOSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H]1CCC[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000156415705 388806187 /nfs/dbraw/zinc/80/61/87/388806187.db2.gz YJKMYCSDHDKDJB-WPRPVWTQSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H]1CCC[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000156415821 388806423 /nfs/dbraw/zinc/80/64/23/388806423.db2.gz YJKMYCSDHDKDJB-PSASIEDQSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H]1CCC[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000156415930 201431015 /nfs/dbraw/zinc/43/10/15/201431015.db2.gz YJKMYCSDHDKDJB-WCBMZHEXSA-N 0 0 238.262 3.334 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1NC1CCCCC1 ZINC000156425848 201431879 /nfs/dbraw/zinc/43/18/79/201431879.db2.gz XCSSZYXFQUQYBU-UHFFFAOYSA-N 0 0 238.262 3.479 20 5 BGBDRN Cc1nc(NCCC2=CCCC2)ccc1[N+](=O)[O-] ZINC000157437726 133486436 /nfs/dbraw/zinc/48/64/36/133486436.db2.gz JJUHRGPBGRQDAG-UHFFFAOYSA-N 0 0 247.298 3.211 20 5 BGBDRN Cc1ccnc(NCCC2=CCCC2)c1[N+](=O)[O-] ZINC000157437881 398260867 /nfs/dbraw/zinc/26/08/67/398260867.db2.gz JFXBBGBMXOPFIJ-UHFFFAOYSA-N 0 0 247.298 3.211 20 5 BGBDRN O=[N+]([O-])c1cc(F)cc(OCC2CCCC2)c1 ZINC000157925330 193038485 /nfs/dbraw/zinc/03/84/85/193038485.db2.gz DPQNQGQQRNRZNU-UHFFFAOYSA-N 0 0 239.246 3.303 20 5 BGBDRN O=[N+]([O-])c1cccc2c1ccn2CC1CCC1 ZINC000158005212 191099491 /nfs/dbraw/zinc/09/94/91/191099491.db2.gz IXNWYVOGHRYSNS-UHFFFAOYSA-N 0 0 230.267 3.350 20 5 BGBDRN CSCCCCNc1ccccc1[N+](=O)[O-] ZINC000158634803 344703638 /nfs/dbraw/zinc/70/36/38/344703638.db2.gz NRWOMMRWUVDTGA-UHFFFAOYSA-N 0 0 240.328 3.150 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C1CC1 ZINC000158677143 344715759 /nfs/dbraw/zinc/71/57/59/344715759.db2.gz SWMLJBBEDLOWAO-SNVBAGLBSA-N 0 0 234.299 3.361 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)C1CC1 ZINC000158677267 344715777 /nfs/dbraw/zinc/71/57/77/344715777.db2.gz SWMLJBBEDLOWAO-JTQLQIEISA-N 0 0 234.299 3.361 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCCC1CCC1 ZINC000158689528 344719864 /nfs/dbraw/zinc/71/98/64/344719864.db2.gz KNNFJRHCAMTADP-UHFFFAOYSA-N 0 0 220.272 3.197 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000158776637 345117467 /nfs/dbraw/zinc/11/74/67/345117467.db2.gz IVFRJRNHIVRMOW-VIFPVBQESA-N 0 0 220.272 3.195 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000158776733 345121022 /nfs/dbraw/zinc/12/10/22/345121022.db2.gz IVFRJRNHIVRMOW-SECBINFHSA-N 0 0 220.272 3.195 20 5 BGBDRN CS[C@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000159239393 349863178 /nfs/dbraw/zinc/86/31/78/349863178.db2.gz FKDWSMJQQGREES-SECBINFHSA-N 0 0 240.328 3.067 20 5 BGBDRN CS[C@@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000159239509 134766367 /nfs/dbraw/zinc/76/63/67/134766367.db2.gz FKDWSMJQQGREES-VIFPVBQESA-N 0 0 240.328 3.067 20 5 BGBDRN O=[N+]([O-])c1ncccc1NC1CCCCCC1 ZINC000159280524 349936441 /nfs/dbraw/zinc/93/64/41/349936441.db2.gz MPMZYOCUDKZXIQ-UHFFFAOYSA-N 0 0 235.287 3.125 20 5 BGBDRN O=[N+]([O-])c1ncccc1NCCC1=CCCCC1 ZINC000159280842 349936468 /nfs/dbraw/zinc/93/64/68/349936468.db2.gz DMYQXEYXGCJSJK-UHFFFAOYSA-N 0 0 247.298 3.292 20 5 BGBDRN C[C@@H]1CCC[C@H](Nc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000159282501 349961124 /nfs/dbraw/zinc/96/11/24/349961124.db2.gz YRTGFAPBMSIVER-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000159282760 349961241 /nfs/dbraw/zinc/96/12/41/349961241.db2.gz YRTGFAPBMSIVER-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H](Nc1cccnc1[N+](=O)[O-])c1cccs1 ZINC000159288525 349950132 /nfs/dbraw/zinc/95/01/32/349950132.db2.gz ODGKYMOEUQHMSE-MRVPVSSYSA-N 0 0 249.295 3.224 20 5 BGBDRN O=[N+]([O-])c1ncccc1NCCC1CCCCC1 ZINC000159326412 350022603 /nfs/dbraw/zinc/02/26/03/350022603.db2.gz RLINFXLHSQUOFJ-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCC1CCC1 ZINC000159533512 385595739 /nfs/dbraw/zinc/59/57/39/385595739.db2.gz UKVNLMUBAZRUKK-UHFFFAOYSA-N 0 0 234.299 3.424 20 5 BGBDRN O=[N+]([O-])c1ccc(SCC2CCCC2)nc1 ZINC000159734273 323045766 /nfs/dbraw/zinc/04/57/66/323045766.db2.gz HLTKPTGISWOHFD-UHFFFAOYSA-N 0 0 238.312 3.272 20 5 BGBDRN Cc1ccc(NC2CC(C)C2)c([N+](=O)[O-])c1 ZINC000159773939 350998660 /nfs/dbraw/zinc/99/86/60/350998660.db2.gz MMULAUZCVFIPAL-UHFFFAOYSA-N 0 0 220.272 3.114 20 5 BGBDRN CS[C@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000159774067 134790331 /nfs/dbraw/zinc/79/03/31/134790331.db2.gz DCIVSIFUHDCWAJ-SECBINFHSA-N 0 0 240.328 3.067 20 5 BGBDRN CS[C@@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000159774198 134789938 /nfs/dbraw/zinc/78/99/38/134789938.db2.gz DCIVSIFUHDCWAJ-VIFPVBQESA-N 0 0 240.328 3.067 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC2(C)CCC2)c1 ZINC000159899588 323052415 /nfs/dbraw/zinc/05/24/15/323052415.db2.gz CRLBRPYGOWCWQF-UHFFFAOYSA-N 0 0 220.272 3.258 20 5 BGBDRN CC1(Nc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000159977059 351158231 /nfs/dbraw/zinc/15/82/31/351158231.db2.gz MACRVJDUTKCXAU-UHFFFAOYSA-N 0 0 224.235 3.088 20 5 BGBDRN CC1(Nc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000159977342 134796502 /nfs/dbraw/zinc/79/65/02/134796502.db2.gz HNECAAYMSPTSHD-UHFFFAOYSA-N 0 0 224.235 3.088 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000159978411 351158382 /nfs/dbraw/zinc/15/83/82/351158382.db2.gz XPKAPTRCNATKNC-QMMMGPOBSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000159978518 351158408 /nfs/dbraw/zinc/15/84/08/351158408.db2.gz XPKAPTRCNATKNC-MRVPVSSYSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000159984213 351203999 /nfs/dbraw/zinc/20/39/99/351203999.db2.gz HIQOGNMYDCQVCY-QMMMGPOBSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000159984347 351204244 /nfs/dbraw/zinc/20/42/44/351204244.db2.gz HIQOGNMYDCQVCY-MRVPVSSYSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC000159992050 351443956 /nfs/dbraw/zinc/44/39/56/351443956.db2.gz UNLOOPZXPDTWPK-QMMMGPOBSA-N 0 0 238.262 3.334 20 5 BGBDRN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC000159992163 351440828 /nfs/dbraw/zinc/44/08/28/351440828.db2.gz UNLOOPZXPDTWPK-MRVPVSSYSA-N 0 0 238.262 3.334 20 5 BGBDRN CCCCCSc1ccc([N+](=O)[O-])cn1 ZINC000160119377 387074472 /nfs/dbraw/zinc/07/44/72/387074472.db2.gz HHTZHUWSKGWWQR-UHFFFAOYSA-N 0 0 226.301 3.272 20 5 BGBDRN O=[N+]([O-])c1cccc(CSCCCF)c1 ZINC000160987943 387495353 /nfs/dbraw/zinc/49/53/53/387495353.db2.gz HZDZROOSGINLCZ-UHFFFAOYSA-N 0 0 229.276 3.188 20 5 BGBDRN Cc1cc(NC2CC(C)C2)ccc1[N+](=O)[O-] ZINC000161423051 385031157 /nfs/dbraw/zinc/03/11/57/385031157.db2.gz UQOLDVBFHWYPEU-UHFFFAOYSA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1nc(NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000161490821 180016237 /nfs/dbraw/zinc/01/62/37/180016237.db2.gz CEHSXZKPIRMLRC-UHFFFAOYSA-N 0 0 235.287 3.043 20 5 BGBDRN Cc1nc(NCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000161493212 385096971 /nfs/dbraw/zinc/09/69/71/385096971.db2.gz MOMYHNYSVGWYPB-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN CCCCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161493341 398285208 /nfs/dbraw/zinc/28/52/08/398285208.db2.gz KLVPXIVROYXPJM-UHFFFAOYSA-N 0 0 237.303 3.290 20 5 BGBDRN Cc1nc(NC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000161496243 180016344 /nfs/dbraw/zinc/01/63/44/180016344.db2.gz ZKCPWQZGXWZSIR-UHFFFAOYSA-N 0 0 249.314 3.433 20 5 BGBDRN Cc1nc(N[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000161498402 180022380 /nfs/dbraw/zinc/02/23/80/180022380.db2.gz XBQHMSVLZYASFO-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000161498516 180025638 /nfs/dbraw/zinc/02/56/38/180025638.db2.gz XBQHMSVLZYASFO-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000161498633 180022246 /nfs/dbraw/zinc/02/22/46/180022246.db2.gz XBQHMSVLZYASFO-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000161498728 180025649 /nfs/dbraw/zinc/02/56/49/180025649.db2.gz XBQHMSVLZYASFO-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(NCCC2CCCC2)ccc1[N+](=O)[O-] ZINC000161514620 180017745 /nfs/dbraw/zinc/01/77/45/180017745.db2.gz OUHPKFYOCZUHQS-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1nc(NCCCC(C)C)ccc1[N+](=O)[O-] ZINC000161516245 180018144 /nfs/dbraw/zinc/01/81/44/180018144.db2.gz HJZIKRWHFSPANQ-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN Cc1nc(N[C@@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000161518201 180022367 /nfs/dbraw/zinc/02/23/67/180022367.db2.gz BZCUKBPGVYBKAB-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000161518311 180024944 /nfs/dbraw/zinc/02/49/44/180024944.db2.gz BZCUKBPGVYBKAB-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000161518416 180022737 /nfs/dbraw/zinc/02/27/37/180022737.db2.gz BZCUKBPGVYBKAB-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000161518504 180025506 /nfs/dbraw/zinc/02/55/06/180025506.db2.gz BZCUKBPGVYBKAB-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161534676 388658599 /nfs/dbraw/zinc/65/85/99/388658599.db2.gz URYMSOBCYODFFB-RKDXNWHRSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161534799 171367908 /nfs/dbraw/zinc/36/79/08/171367908.db2.gz URYMSOBCYODFFB-DTWKUNHWSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161534914 398303310 /nfs/dbraw/zinc/30/33/10/398303310.db2.gz URYMSOBCYODFFB-BDAKNGLRSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161535035 171391613 /nfs/dbraw/zinc/39/16/13/171391613.db2.gz URYMSOBCYODFFB-IUCAKERBSA-N 0 0 237.303 3.145 20 5 BGBDRN Cc1nc(NC2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000161537342 180016213 /nfs/dbraw/zinc/01/62/13/180016213.db2.gz ZRVQIFWWXPRKPQ-UHFFFAOYSA-N 0 0 235.287 3.043 20 5 BGBDRN Cc1nc(NCC2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000161550417 180016233 /nfs/dbraw/zinc/01/62/33/180016233.db2.gz QLAQMWOQSAEHQY-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1nc(N[C@@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000161553513 219861969 /nfs/dbraw/zinc/86/19/69/219861969.db2.gz HZVFIJFMIDYWAM-VIFPVBQESA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000161553596 219862008 /nfs/dbraw/zinc/86/20/08/219862008.db2.gz HZVFIJFMIDYWAM-SECBINFHSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(NC[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000161559064 388670993 /nfs/dbraw/zinc/67/09/93/388670993.db2.gz LUJRLSOPFJYLPY-SECBINFHSA-N 0 0 237.303 3.002 20 5 BGBDRN Cc1nc(NC[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000161559213 385356192 /nfs/dbraw/zinc/35/61/92/385356192.db2.gz LUJRLSOPFJYLPY-VIFPVBQESA-N 0 0 237.303 3.002 20 5 BGBDRN Cc1nc(N[C@@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000161566696 180022775 /nfs/dbraw/zinc/02/27/75/180022775.db2.gz HBRHTUWCYLOTBY-LLVKDONJSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000161566818 180025098 /nfs/dbraw/zinc/02/50/98/180025098.db2.gz HBRHTUWCYLOTBY-NSHDSACASA-N 0 0 249.314 3.289 20 5 BGBDRN O=[N+]([O-])c1ccc(SCCCF)cc1 ZINC000162047332 388346206 /nfs/dbraw/zinc/34/62/06/388346206.db2.gz GMMQKSPIDHBWTQ-UHFFFAOYSA-N 0 0 215.249 3.047 20 5 BGBDRN O=[N+]([O-])c1ccccc1CSCCCF ZINC000162067710 386249253 /nfs/dbraw/zinc/24/92/53/386249253.db2.gz WVXMOZOBPAPGSI-UHFFFAOYSA-N 0 0 229.276 3.188 20 5 BGBDRN Cc1c(CSCCCF)cccc1[N+](=O)[O-] ZINC000162088842 388346377 /nfs/dbraw/zinc/34/63/77/388346377.db2.gz WVUZBIBGNQDHOZ-UHFFFAOYSA-N 0 0 243.303 3.496 20 5 BGBDRN CC[C@@H](CSC)Nc1ccc([N+](=O)[O-])cc1 ZINC000162144560 388347306 /nfs/dbraw/zinc/34/73/06/388347306.db2.gz YPYFXYUBWXDOHF-VIFPVBQESA-N 0 0 240.328 3.148 20 5 BGBDRN CC[C@H](CSC)Nc1ccc([N+](=O)[O-])cc1 ZINC000162144634 388347425 /nfs/dbraw/zinc/34/74/25/388347425.db2.gz YPYFXYUBWXDOHF-SECBINFHSA-N 0 0 240.328 3.148 20 5 BGBDRN O=[N+]([O-])c1cnc2ccccc2c1NC1CCC1 ZINC000162155298 349578558 /nfs/dbraw/zinc/57/85/58/349578558.db2.gz FRCBQXKPQWHAPK-UHFFFAOYSA-N 0 0 243.266 3.107 20 5 BGBDRN O=[N+]([O-])c1ccc(CSCCCF)cc1 ZINC000162156488 388005702 /nfs/dbraw/zinc/00/57/02/388005702.db2.gz CZWGVHBLQQJHEA-UHFFFAOYSA-N 0 0 229.276 3.188 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC2CCCCC2)n1 ZINC000162590111 388354254 /nfs/dbraw/zinc/35/42/54/388354254.db2.gz JBADFAGGGNQZNG-UHFFFAOYSA-N 0 0 235.287 3.043 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@@H]2C)n1 ZINC000162591760 371724780 /nfs/dbraw/zinc/72/47/80/371724780.db2.gz GEOGSDJCQLQGIE-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2C)n1 ZINC000162591861 133521623 /nfs/dbraw/zinc/52/16/23/133521623.db2.gz GEOGSDJCQLQGIE-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@H]2C)n1 ZINC000162591969 371724034 /nfs/dbraw/zinc/72/40/34/371724034.db2.gz GEOGSDJCQLQGIE-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@H]2C)n1 ZINC000162592077 371724650 /nfs/dbraw/zinc/72/46/50/371724650.db2.gz GEOGSDJCQLQGIE-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC2CCC(C)CC2)n1 ZINC000162593415 349762129 /nfs/dbraw/zinc/76/21/29/349762129.db2.gz ADVMVVYGOPKJAC-UHFFFAOYSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC2CCCCCC2)n1 ZINC000162594348 371723935 /nfs/dbraw/zinc/72/39/35/371723935.db2.gz WBBGBKLFWZBZEH-UHFFFAOYSA-N 0 0 249.314 3.433 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H](C)C2)n1 ZINC000162594624 133521401 /nfs/dbraw/zinc/52/14/01/133521401.db2.gz AXOFVGCIFFBZCG-GXSJLCMTSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H](C)C2)n1 ZINC000162594734 349763016 /nfs/dbraw/zinc/76/30/16/349763016.db2.gz AXOFVGCIFFBZCG-ONGXEEELSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H](C)C2)n1 ZINC000162594848 349763184 /nfs/dbraw/zinc/76/31/84/349763184.db2.gz AXOFVGCIFFBZCG-MWLCHTKSSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H](C)C2)n1 ZINC000162594973 133521494 /nfs/dbraw/zinc/52/14/94/133521494.db2.gz AXOFVGCIFFBZCG-KOLCDFICSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCC2CCCCC2)n1 ZINC000162595231 371724548 /nfs/dbraw/zinc/72/45/48/371724548.db2.gz GYOGFZSVTRHWLI-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCCC2CCCC2)n1 ZINC000162600578 371724486 /nfs/dbraw/zinc/72/44/86/371724486.db2.gz ZCHUIVHZBKABFZ-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCCCC(C)C)n1 ZINC000162603754 371728205 /nfs/dbraw/zinc/72/82/05/371728205.db2.gz BJDPZACBODSWIY-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000162607432 371728048 /nfs/dbraw/zinc/72/80/48/371728048.db2.gz FVZMJQCBAXWNFD-PSASIEDQSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000162607562 133522080 /nfs/dbraw/zinc/52/20/80/133522080.db2.gz FVZMJQCBAXWNFD-WCBMZHEXSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000162607689 371728450 /nfs/dbraw/zinc/72/84/50/371728450.db2.gz FVZMJQCBAXWNFD-SCZZXKLOSA-N 0 0 237.303 3.145 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000162607805 535944532 /nfs/dbraw/zinc/94/45/32/535944532.db2.gz FVZMJQCBAXWNFD-WPRPVWTQSA-N 0 0 237.303 3.145 20 5 BGBDRN CCC[C@@H](CC)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000162618196 371728168 /nfs/dbraw/zinc/72/81/68/371728168.db2.gz VTIOTTDJMVXMFR-SNVBAGLBSA-N 0 0 237.303 3.289 20 5 BGBDRN CCC[C@H](CC)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000162618320 371728235 /nfs/dbraw/zinc/72/82/35/371728235.db2.gz VTIOTTDJMVXMFR-JTQLQIEISA-N 0 0 237.303 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCC2(C)CCCC2)n1 ZINC000162625037 133521370 /nfs/dbraw/zinc/52/13/70/133521370.db2.gz NDDDVCRBEYJJEU-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN CCCCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162628031 634236874 /nfs/dbraw/zinc/23/68/74/634236874.db2.gz LLNGREXFOFUEHD-UHFFFAOYSA-N 0 0 237.303 3.290 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C(C)C)n1 ZINC000162631570 133522030 /nfs/dbraw/zinc/52/20/30/133522030.db2.gz LWHTXBGARJYDGN-SECBINFHSA-N 0 0 237.303 3.002 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C(C)C)n1 ZINC000162631702 371733801 /nfs/dbraw/zinc/73/38/01/371733801.db2.gz LWHTXBGARJYDGN-VIFPVBQESA-N 0 0 237.303 3.002 20 5 BGBDRN Cc1ccnc(N[C@@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000162647678 349784517 /nfs/dbraw/zinc/78/45/17/349784517.db2.gz BDXYCZZHLUYOGW-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccnc(N[C@H]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000162647819 133521876 /nfs/dbraw/zinc/52/18/76/133521876.db2.gz BDXYCZZHLUYOGW-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC(C)(C)C1 ZINC000162648493 371736877 /nfs/dbraw/zinc/73/68/77/371736877.db2.gz NXSOSKDLAJEQPN-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC(C)(C)C1 ZINC000162648630 349785365 /nfs/dbraw/zinc/78/53/65/349785365.db2.gz NXSOSKDLAJEQPN-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC(C)(C)C2)n1 ZINC000162649077 133522045 /nfs/dbraw/zinc/52/20/45/133522045.db2.gz AGYIHVOXRMAMCO-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC(C)(C)C2)n1 ZINC000162649209 371736493 /nfs/dbraw/zinc/73/64/93/371736493.db2.gz AGYIHVOXRMAMCO-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@@H]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000162649348 344670006 /nfs/dbraw/zinc/67/00/06/344670006.db2.gz QDFGHCIOGNLAIW-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@H]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000162649490 371736573 /nfs/dbraw/zinc/73/65/73/371736573.db2.gz QDFGHCIOGNLAIW-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000162658782 344726595 /nfs/dbraw/zinc/72/65/95/344726595.db2.gz BWONQEKYOSBACE-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000162658901 344726255 /nfs/dbraw/zinc/72/62/55/344726255.db2.gz BWONQEKYOSBACE-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@@H]2CCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000162660122 133522274 /nfs/dbraw/zinc/52/22/74/133522274.db2.gz RHHVSDHLGMNNTE-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@H]2CCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000162660235 371739197 /nfs/dbraw/zinc/73/91/97/371739197.db2.gz RHHVSDHLGMNNTE-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN O=[N+]([O-])c1c(Cl)cccc1OCC1CC1 ZINC000163122372 388370496 /nfs/dbraw/zinc/37/04/96/388370496.db2.gz INYFZHUXZISYNT-UHFFFAOYSA-N 0 0 227.647 3.037 20 5 BGBDRN CCCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000163123037 635761958 /nfs/dbraw/zinc/76/19/58/635761958.db2.gz AGJAIQBFHXXUPQ-UHFFFAOYSA-N 0 0 229.663 3.427 20 5 BGBDRN CCCN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163504998 323076980 /nfs/dbraw/zinc/07/69/80/323076980.db2.gz MAJMYRWTDMIWKP-UHFFFAOYSA-N 0 0 242.706 3.090 20 5 BGBDRN CCSCCCNc1ccccc1[N+](=O)[O-] ZINC000163909016 135208756 /nfs/dbraw/zinc/20/87/56/135208756.db2.gz BNIBTBNNNHJFJA-UHFFFAOYSA-N 0 0 240.328 3.150 20 5 BGBDRN CCC(=CC(=O)Nc1cccc([N+](=O)[O-])c1)CC ZINC000164107289 640444027 /nfs/dbraw/zinc/44/40/27/640444027.db2.gz MWBXSELIKKOJSE-UHFFFAOYSA-N 0 0 248.282 3.280 20 5 BGBDRN CC(C)=CCOc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000165106777 166447801 /nfs/dbraw/zinc/44/78/01/166447801.db2.gz XKFWQAOPHIAZNC-UHFFFAOYSA-N 0 0 249.266 3.142 20 5 BGBDRN O=[N+]([O-])c1cnccc1Nc1cccc(Cl)c1 ZINC000165247602 343139492 /nfs/dbraw/zinc/13/94/92/343139492.db2.gz LTTBRUYMNVDSRR-UHFFFAOYSA-N 0 0 249.657 3.387 20 5 BGBDRN CC(C)(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000166070765 203388231 /nfs/dbraw/zinc/38/82/31/203388231.db2.gz MMFKTXRNRDZDAA-UHFFFAOYSA-N 0 0 223.272 3.410 20 5 BGBDRN CC1(C)CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000166666220 345721589 /nfs/dbraw/zinc/72/15/89/345721589.db2.gz XPBFPMJGBMRQCX-UHFFFAOYSA-N 0 0 234.299 3.221 20 5 BGBDRN CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000167072162 346697232 /nfs/dbraw/zinc/69/72/32/346697232.db2.gz XRTNVYQKNZYOKX-UHFFFAOYSA-N 0 0 242.278 3.231 20 5 BGBDRN C[C@@H]1C[C@@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000167125203 206144273 /nfs/dbraw/zinc/14/42/73/206144273.db2.gz HSSQUZASHLEKFL-HTQZYQBOSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@H]1C[C@@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000167125313 206144699 /nfs/dbraw/zinc/14/46/99/206144699.db2.gz HSSQUZASHLEKFL-JGVFFNPUSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@@H]1C[C@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000167125412 206020090 /nfs/dbraw/zinc/02/00/90/206020090.db2.gz HSSQUZASHLEKFL-SFYZADRCSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@H]1C[C@H]1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000167125516 205637201 /nfs/dbraw/zinc/63/72/01/205637201.db2.gz HSSQUZASHLEKFL-YUMQZZPRSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@@H]1C[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000167143430 633125541 /nfs/dbraw/zinc/12/55/41/633125541.db2.gz LJEKQPHSNVBWPM-HTQZYQBOSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@H]1C[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000167143543 632762349 /nfs/dbraw/zinc/76/23/49/632762349.db2.gz LJEKQPHSNVBWPM-JGVFFNPUSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@@H]1C[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000167143646 632762922 /nfs/dbraw/zinc/76/29/22/632762922.db2.gz LJEKQPHSNVBWPM-SFYZADRCSA-N 0 0 240.690 3.316 20 5 BGBDRN C[C@H]1C[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000167143737 633125080 /nfs/dbraw/zinc/12/50/80/633125080.db2.gz LJEKQPHSNVBWPM-YUMQZZPRSA-N 0 0 240.690 3.316 20 5 BGBDRN CCC(C)(C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000167527823 346261480 /nfs/dbraw/zinc/26/14/80/346261480.db2.gz DXDAHAWRNCWUBV-UHFFFAOYSA-N 0 0 248.286 3.072 20 5 BGBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCCC2)cc1F ZINC000169228150 640845946 /nfs/dbraw/zinc/84/59/46/640845946.db2.gz JPWHBQBYYMGTKJ-VIFPVBQESA-N 0 0 237.230 3.221 20 5 BGBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCCC2)cc1F ZINC000169228241 640846115 /nfs/dbraw/zinc/84/61/15/640846115.db2.gz JPWHBQBYYMGTKJ-SECBINFHSA-N 0 0 237.230 3.221 20 5 BGBDRN O=[N+]([O-])c1ccccc1O[C@H]1C=CCCC1 ZINC000171269421 372528856 /nfs/dbraw/zinc/52/88/56/372528856.db2.gz BUQYBGQVZLEMDR-JTQLQIEISA-N 0 0 219.240 3.082 20 5 BGBDRN O=[N+]([O-])c1ccccc1O[C@@H]1C=CCCC1 ZINC000171269427 372528870 /nfs/dbraw/zinc/52/88/70/372528870.db2.gz BUQYBGQVZLEMDR-SNVBAGLBSA-N 0 0 219.240 3.082 20 5 BGBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCCC2)c(F)c1 ZINC000171270440 372528715 /nfs/dbraw/zinc/52/87/15/372528715.db2.gz WFAOPZWATILFBA-JTQLQIEISA-N 0 0 237.230 3.221 20 5 BGBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCCC2)c(F)c1 ZINC000171270444 372528527 /nfs/dbraw/zinc/52/85/27/372528527.db2.gz WFAOPZWATILFBA-SNVBAGLBSA-N 0 0 237.230 3.221 20 5 BGBDRN COc1ccc(O[C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000171791929 372766551 /nfs/dbraw/zinc/76/65/51/372766551.db2.gz NIULXHMBZFXJGN-JTQLQIEISA-N 0 0 249.266 3.091 20 5 BGBDRN COc1ccc(O[C@@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000171791934 372766572 /nfs/dbraw/zinc/76/65/72/372766572.db2.gz NIULXHMBZFXJGN-SNVBAGLBSA-N 0 0 249.266 3.091 20 5 BGBDRN O=[N+]([O-])c1cccnc1S[C@H]1C=CCCC1 ZINC000171793123 372771603 /nfs/dbraw/zinc/77/16/03/372771603.db2.gz VSFNSHSGMPCJRJ-VIFPVBQESA-N 0 0 236.296 3.191 20 5 BGBDRN O=[N+]([O-])c1cccnc1S[C@@H]1C=CCCC1 ZINC000171793128 372771821 /nfs/dbraw/zinc/77/18/21/372771821.db2.gz VSFNSHSGMPCJRJ-SECBINFHSA-N 0 0 236.296 3.191 20 5 BGBDRN COc1cc([N+](=O)[O-])ccc1O[C@H]1C=CCCC1 ZINC000171793381 372771843 /nfs/dbraw/zinc/77/18/43/372771843.db2.gz GDJWDTBTIBXOSV-NSHDSACASA-N 0 0 249.266 3.091 20 5 BGBDRN COc1cc([N+](=O)[O-])ccc1O[C@@H]1C=CCCC1 ZINC000171793383 372771836 /nfs/dbraw/zinc/77/18/36/372771836.db2.gz GDJWDTBTIBXOSV-LLVKDONJSA-N 0 0 249.266 3.091 20 5 BGBDRN CC(C)(C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000172409076 372966175 /nfs/dbraw/zinc/96/61/75/372966175.db2.gz JVVOLVJGQBYCEK-UHFFFAOYSA-N 0 0 243.694 3.101 20 5 BGBDRN C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000172810530 641115990 /nfs/dbraw/zinc/11/59/90/641115990.db2.gz MASOYRCOIHUNKH-MRVPVSSYSA-N 0 0 240.690 3.237 20 5 BGBDRN C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000172810534 643584287 /nfs/dbraw/zinc/58/42/87/643584287.db2.gz MASOYRCOIHUNKH-QMMMGPOBSA-N 0 0 240.690 3.237 20 5 BGBDRN Cc1ccc(OCC2CCC2)c([N+](=O)[O-])c1 ZINC000172910367 134270931 /nfs/dbraw/zinc/27/09/31/134270931.db2.gz NRNZEKAJJPMSTK-UHFFFAOYSA-N 0 0 221.256 3.082 20 5 BGBDRN Cc1ccc(NC(=O)CC2CCC2)cc1[N+](=O)[O-] ZINC000173018795 388412954 /nfs/dbraw/zinc/41/29/54/388412954.db2.gz SGIJGUHNUOXMJJ-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1CCC1 ZINC000173019112 388412388 /nfs/dbraw/zinc/41/23/88/388412388.db2.gz MFMVIGQEKLQLQB-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1c(NC(=O)CC2CCC2)cccc1[N+](=O)[O-] ZINC000173054218 388413290 /nfs/dbraw/zinc/41/32/90/388413290.db2.gz HOFIPUMCAGPSJM-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN CC/C=C/COC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000174062314 641233631 /nfs/dbraw/zinc/23/36/31/641233631.db2.gz FVWDPNWBKLQKKC-SNAWJCMRSA-N 0 0 249.266 3.026 20 5 BGBDRN O=[N+]([O-])c1cccc(OC/C(Cl)=C/Cl)c1 ZINC000174136805 641250531 /nfs/dbraw/zinc/25/05/31/641250531.db2.gz FGQDSBSZHGZIPA-ALCCZGGFSA-N 0 0 248.065 3.293 20 5 BGBDRN O=C(CCC1CCC1)Oc1cccc([N+](=O)[O-])c1 ZINC000175225588 639853485 /nfs/dbraw/zinc/85/34/85/639853485.db2.gz YJNGBFZGAISLAJ-UHFFFAOYSA-N 0 0 249.266 3.081 20 5 BGBDRN O=C(CCC1CCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000175371271 134285605 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/nfs/dbraw/zinc/48/46/83/366484683.db2.gz YSAYVSAOCFXGFZ-WDEREUQCSA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@@H]1CCC[C@@H](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000180498364 366484949 /nfs/dbraw/zinc/48/49/49/366484949.db2.gz YSAYVSAOCFXGFZ-MNOVXSKESA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@H]1CCC[C@@H](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000180498381 366484738 /nfs/dbraw/zinc/48/47/38/366484738.db2.gz YSAYVSAOCFXGFZ-QWRGUYRKSA-N 0 0 237.303 3.008 20 5 BGBDRN CSCc1ccc([N+](=O)[O-])cc1Cl ZINC000180968686 384860283 /nfs/dbraw/zinc/86/02/83/384860283.db2.gz HRYIQGWUULNOMI-UHFFFAOYSA-N 0 0 217.677 3.111 20 5 BGBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CC12CCCCC2 ZINC000181264223 385404833 /nfs/dbraw/zinc/40/48/33/385404833.db2.gz ITWXJOPTVXSVEQ-LLVKDONJSA-N 0 0 247.298 3.125 20 5 BGBDRN O=[N+]([O-])c1cccnc1N[C@H]1CC12CCCCC2 ZINC000181264244 384981561 /nfs/dbraw/zinc/98/15/61/384981561.db2.gz ITWXJOPTVXSVEQ-NSHDSACASA-N 0 0 247.298 3.125 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CCCCC3)nc1 ZINC000181264627 385405350 /nfs/dbraw/zinc/40/53/50/385405350.db2.gz QLNKKVMGXONEPH-LLVKDONJSA-N 0 0 247.298 3.125 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CCCCC3)nc1 ZINC000181264647 384981626 /nfs/dbraw/zinc/98/16/26/384981626.db2.gz QLNKKVMGXONEPH-NSHDSACASA-N 0 0 247.298 3.125 20 5 BGBDRN Cc1nn(CCCC2CCCC2)cc1[N+](=O)[O-] ZINC000181819482 180387503 /nfs/dbraw/zinc/38/75/03/180387503.db2.gz MBKJEQYOKILAJL-UHFFFAOYSA-N 0 0 237.303 3.070 20 5 BGBDRN CC/C=C(\C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182403476 385866472 /nfs/dbraw/zinc/86/64/72/385866472.db2.gz JGPMLTPQCNOOAD-WEVVVXLNSA-N 0 0 248.282 3.198 20 5 BGBDRN Cc1cc(NC(=O)CC2CCC2)ccc1[N+](=O)[O-] ZINC000182434775 178127052 /nfs/dbraw/zinc/12/70/52/178127052.db2.gz AMUPTLBTFNUSGV-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1cc(NC(=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000182444478 178124633 /nfs/dbraw/zinc/12/46/33/178124633.db2.gz CFNQCLVLKCRLSB-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183226896 367003515 /nfs/dbraw/zinc/00/35/15/367003515.db2.gz SGVMELBPBSTJEO-UHFFFAOYSA-N 0 0 236.315 3.135 20 5 BGBDRN CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000183263297 367006302 /nfs/dbraw/zinc/00/63/02/367006302.db2.gz CLMYCHPLXHDJEX-UHFFFAOYSA-N 0 0 248.326 3.278 20 5 BGBDRN CCCSCCc1ccc([N+](=O)[O-])cc1 ZINC000183266074 367007682 /nfs/dbraw/zinc/00/76/82/367007682.db2.gz IDFBPYVMUMXURU-UHFFFAOYSA-N 0 0 225.313 3.281 20 5 BGBDRN CC(C)SCCc1ccc([N+](=O)[O-])cc1 ZINC000183269532 347123444 /nfs/dbraw/zinc/12/34/44/347123444.db2.gz CKBQOFOAPUDFBN-UHFFFAOYSA-N 0 0 225.313 3.279 20 5 BGBDRN C/C=C/CSCCc1ccc([N+](=O)[O-])cc1 ZINC000183270893 367008362 /nfs/dbraw/zinc/00/83/62/367008362.db2.gz HLRSUDKOJUTYKK-NSCUHMNNSA-N 0 0 237.324 3.447 20 5 BGBDRN O=[N+]([O-])c1ccc(CCSCC2CC2)cc1 ZINC000183278263 367008700 /nfs/dbraw/zinc/00/87/00/367008700.db2.gz VSSHVLSBCRBTEF-UHFFFAOYSA-N 0 0 237.324 3.281 20 5 BGBDRN O=[N+]([O-])c1ccc(CCSCCCF)cc1 ZINC000183278610 386486751 /nfs/dbraw/zinc/48/67/51/386486751.db2.gz SDDIMDKJURZZJA-UHFFFAOYSA-N 0 0 243.303 3.230 20 5 BGBDRN Cc1cccc(OC2CCCC2)c1[N+](=O)[O-] ZINC000183283639 367009481 /nfs/dbraw/zinc/00/94/81/367009481.db2.gz QDXVIWDTTANLQG-UHFFFAOYSA-N 0 0 221.256 3.225 20 5 BGBDRN Cc1ccc(OC2CCCC2)cc1[N+](=O)[O-] ZINC000183283719 367009416 /nfs/dbraw/zinc/00/94/16/367009416.db2.gz SVCZJOKRGRANIA-UHFFFAOYSA-N 0 0 221.256 3.225 20 5 BGBDRN CC(C)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184979382 256850575 /nfs/dbraw/zinc/85/05/75/256850575.db2.gz KDTLBMXYNIIBPV-UHFFFAOYSA-N 0 0 246.266 3.178 20 5 BGBDRN CCCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184987494 256850884 /nfs/dbraw/zinc/85/08/84/256850884.db2.gz HLXCZSLMJOVUPG-UHFFFAOYSA-N 0 0 246.266 3.322 20 5 BGBDRN CCCCCOc1c(F)cccc1[N+](=O)[O-] ZINC000185015056 583630905 /nfs/dbraw/zinc/63/09/05/583630905.db2.gz AJIRGQJVDKRRSN-UHFFFAOYSA-N 0 0 227.235 3.303 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1OCC1CCCC1 ZINC000185018848 256850822 /nfs/dbraw/zinc/85/08/22/256850822.db2.gz DNFFTZIBUGVBOM-UHFFFAOYSA-N 0 0 239.246 3.303 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1O[C@H]1C=CCCC1 ZINC000185019237 386864701 /nfs/dbraw/zinc/86/47/01/386864701.db2.gz PMHHCTAEVNUYAV-VIFPVBQESA-N 0 0 237.230 3.221 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1O[C@@H]1C=CCCC1 ZINC000185019256 256850874 /nfs/dbraw/zinc/85/08/74/256850874.db2.gz PMHHCTAEVNUYAV-SECBINFHSA-N 0 0 237.230 3.221 20 5 BGBDRN CC[C@@H](C)COc1c(F)cccc1[N+](=O)[O-] ZINC000185026297 386927732 /nfs/dbraw/zinc/92/77/32/386927732.db2.gz SLJUBVNCEHLHPW-MRVPVSSYSA-N 0 0 227.235 3.159 20 5 BGBDRN CC[C@H](C)COc1c(F)cccc1[N+](=O)[O-] ZINC000185026316 386927861 /nfs/dbraw/zinc/92/78/61/386927861.db2.gz SLJUBVNCEHLHPW-QMMMGPOBSA-N 0 0 227.235 3.159 20 5 BGBDRN CC(C)CCOc1c(F)cccc1[N+](=O)[O-] ZINC000185038518 367117465 /nfs/dbraw/zinc/11/74/65/367117465.db2.gz GSHGJIZQCZDFPW-UHFFFAOYSA-N 0 0 227.235 3.159 20 5 BGBDRN O=[N+]([O-])c1ccc(SCC2CC2)c(F)c1 ZINC000185150845 387006916 /nfs/dbraw/zinc/00/69/16/387006916.db2.gz XZAGGHFZKXVJLB-UHFFFAOYSA-N 0 0 227.260 3.236 20 5 BGBDRN CC/C=C/CCOc1ccccc1[N+](=O)[O-] ZINC000185151784 387003691 /nfs/dbraw/zinc/00/36/91/387003691.db2.gz ZIEJDHFKWDAKAU-ONEGZZNKSA-N 0 0 221.256 3.330 20 5 BGBDRN O=[N+]([O-])c1cn(CCC2CCCC2)nc1C1CC1 ZINC000185172243 387011497 /nfs/dbraw/zinc/01/14/97/387011497.db2.gz TYNQDWDVWKIKTP-UHFFFAOYSA-N 0 0 249.314 3.249 20 5 BGBDRN O=[N+]([O-])c1cn(CC2CCCCC2)nc1C1CC1 ZINC000185173059 387011316 /nfs/dbraw/zinc/01/13/16/387011316.db2.gz PLHPKJZUWPRIQP-UHFFFAOYSA-N 0 0 249.314 3.249 20 5 BGBDRN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000185592846 134382061 /nfs/dbraw/zinc/38/20/61/134382061.db2.gz HZMQPRGFTBMSOV-DGCLKSJQSA-N 0 0 248.326 3.215 20 5 BGBDRN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000185592864 134381949 /nfs/dbraw/zinc/38/19/49/134381949.db2.gz HZMQPRGFTBMSOV-YPMHNXCESA-N 0 0 248.326 3.215 20 5 BGBDRN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000185592884 134382042 /nfs/dbraw/zinc/38/20/42/134382042.db2.gz HZMQPRGFTBMSOV-WCQYABFASA-N 0 0 248.326 3.215 20 5 BGBDRN Cc1cc(OCC(C)C)c(F)cc1[N+](=O)[O-] ZINC000185663481 178209516 /nfs/dbraw/zinc/20/95/16/178209516.db2.gz LGALMCXPLMWLHE-UHFFFAOYSA-N 0 0 227.235 3.077 20 5 BGBDRN Cc1cc(OC2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000185671155 256611068 /nfs/dbraw/zinc/61/10/68/256611068.db2.gz JJEHCILIGVKEJK-UHFFFAOYSA-N 0 0 239.246 3.364 20 5 BGBDRN CC1(C)CCC(Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000185686828 134388572 /nfs/dbraw/zinc/38/85/72/134388572.db2.gz JNABJGFAHBBEAT-UHFFFAOYSA-N 0 0 237.303 3.008 20 5 BGBDRN CC1(C)CCC(Cn2nccc2[N+](=O)[O-])CC1 ZINC000185688296 134388559 /nfs/dbraw/zinc/38/85/59/134388559.db2.gz ZUTBUKSIYPLXRU-UHFFFAOYSA-N 0 0 237.303 3.008 20 5 BGBDRN CC/C=C/CCSc1ncccc1[N+](=O)[O-] ZINC000186042077 387505660 /nfs/dbraw/zinc/50/56/60/387505660.db2.gz BBEPNOAXXPARGN-ONEGZZNKSA-N 0 0 238.312 3.438 20 5 BGBDRN CC/C=C/CCOc1ncc(C)cc1[N+](=O)[O-] ZINC000186165184 387519366 /nfs/dbraw/zinc/51/93/66/387519366.db2.gz BHGDYJXRYPGAPH-SNAWJCMRSA-N 0 0 236.271 3.033 20 5 BGBDRN CC/C=C/CCSc1ccc([N+](=O)[O-])cn1 ZINC000186349254 386734761 /nfs/dbraw/zinc/73/47/61/386734761.db2.gz PQOLWUQIHFMXPO-ONEGZZNKSA-N 0 0 238.312 3.438 20 5 BGBDRN CC/C=C/CCOc1c(F)cccc1[N+](=O)[O-] ZINC000186411273 256864523 /nfs/dbraw/zinc/86/45/23/256864523.db2.gz UGGLCRMHSQWCKA-ONEGZZNKSA-N 0 0 239.246 3.469 20 5 BGBDRN C[C@H]1CCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000187914002 384853052 /nfs/dbraw/zinc/85/30/52/384853052.db2.gz UBCIPFUXSYNJQA-LBPRGKRZSA-N 0 0 248.326 3.217 20 5 BGBDRN C/C=C(\CC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000188355826 188172363 /nfs/dbraw/zinc/17/23/63/188172363.db2.gz MDWMUCFVLNFWKZ-ONNFQVAWSA-N 0 0 248.282 3.198 20 5 BGBDRN C/C=C(\CC)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000188356064 188001210 /nfs/dbraw/zinc/00/12/10/188001210.db2.gz QWJXYWMGVFTBQB-ONNFQVAWSA-N 0 0 248.282 3.198 20 5 BGBDRN C/C=C(\CC)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000188357280 188172110 /nfs/dbraw/zinc/17/21/10/188172110.db2.gz URDZKCMPWSSDCW-ONNFQVAWSA-N 0 0 248.282 3.198 20 5 BGBDRN Cc1cccc(NCc2ccoc2)c1[N+](=O)[O-] ZINC000188367278 384936632 /nfs/dbraw/zinc/93/66/32/384936632.db2.gz PAIZLAITODBBAD-UHFFFAOYSA-N 0 0 232.239 3.108 20 5 BGBDRN CCOc1cc(OCC(C)C)ccc1[N+](=O)[O-] ZINC000188586079 357564188 /nfs/dbraw/zinc/56/41/88/357564188.db2.gz PNVBKYHIDBVPHD-UHFFFAOYSA-N 0 0 239.271 3.028 20 5 BGBDRN C/C=C(\CC)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000189142501 385093418 /nfs/dbraw/zinc/09/34/18/385093418.db2.gz YQPCMZCELIAFAD-ONNFQVAWSA-N 0 0 248.282 3.198 20 5 BGBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000189680305 385268176 /nfs/dbraw/zinc/26/81/76/385268176.db2.gz HYSJGEOYPAECRX-QMMMGPOBSA-N 0 0 249.295 3.224 20 5 BGBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000189680324 385267586 /nfs/dbraw/zinc/26/75/86/385267586.db2.gz HYSJGEOYPAECRX-MRVPVSSYSA-N 0 0 249.295 3.224 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000189681030 349507339 /nfs/dbraw/zinc/50/73/39/349507339.db2.gz ZMAQTIBVJNHHAF-SFYZADRCSA-N 0 0 241.316 3.042 20 5 BGBDRN C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000189681054 349507915 /nfs/dbraw/zinc/50/79/15/349507915.db2.gz ZMAQTIBVJNHHAF-YUMQZZPRSA-N 0 0 241.316 3.042 20 5 BGBDRN C[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000189681070 349508060 /nfs/dbraw/zinc/50/80/60/349508060.db2.gz ZMAQTIBVJNHHAF-HTQZYQBOSA-N 0 0 241.316 3.042 20 5 BGBDRN C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000189681085 349508866 /nfs/dbraw/zinc/50/88/66/349508866.db2.gz ZMAQTIBVJNHHAF-JGVFFNPUSA-N 0 0 241.316 3.042 20 5 BGBDRN O=[N+]([O-])c1cnc(NC2CCCCCC2)s1 ZINC000189681557 347308144 /nfs/dbraw/zinc/30/81/44/347308144.db2.gz FBFJAKCDSMBZCP-UHFFFAOYSA-N 0 0 241.316 3.186 20 5 BGBDRN C[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000189681650 357657157 /nfs/dbraw/zinc/65/71/57/357657157.db2.gz RBTZATABKIHYHX-SFYZADRCSA-N 0 0 241.316 3.042 20 5 BGBDRN C[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000189681670 357657168 /nfs/dbraw/zinc/65/71/68/357657168.db2.gz RBTZATABKIHYHX-YUMQZZPRSA-N 0 0 241.316 3.042 20 5 BGBDRN C[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000189681690 134550622 /nfs/dbraw/zinc/55/06/22/134550622.db2.gz RBTZATABKIHYHX-HTQZYQBOSA-N 0 0 241.316 3.042 20 5 BGBDRN C[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000189681706 357657215 /nfs/dbraw/zinc/65/72/15/357657215.db2.gz RBTZATABKIHYHX-JGVFFNPUSA-N 0 0 241.316 3.042 20 5 BGBDRN O=[N+]([O-])c1cnc(NCCC2CCCC2)s1 ZINC000189682761 357656939 /nfs/dbraw/zinc/65/69/39/357656939.db2.gz HZCDXQZBDCMYGE-UHFFFAOYSA-N 0 0 241.316 3.044 20 5 BGBDRN CCCCC[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189684380 633119745 /nfs/dbraw/zinc/11/97/45/633119745.db2.gz KPXWAKFZZZMAFF-MRVPVSSYSA-N 0 0 243.332 3.432 20 5 BGBDRN CCCCC[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189684401 641816972 /nfs/dbraw/zinc/81/69/72/641816972.db2.gz KPXWAKFZZZMAFF-QMMMGPOBSA-N 0 0 243.332 3.432 20 5 BGBDRN CCC[C@@H](CC)Nc1ncc([N+](=O)[O-])s1 ZINC000189685541 169380603 /nfs/dbraw/zinc/38/06/03/169380603.db2.gz FOARVMRCUOURNB-SSDOTTSWSA-N 0 0 229.305 3.042 20 5 BGBDRN CCC[C@H](CC)Nc1ncc([N+](=O)[O-])s1 ZINC000189685565 385271217 /nfs/dbraw/zinc/27/12/17/385271217.db2.gz FOARVMRCUOURNB-ZETCQYMHSA-N 0 0 229.305 3.042 20 5 BGBDRN CC1(CNc2ncc([N+](=O)[O-])s2)CCCC1 ZINC000189686814 357658085 /nfs/dbraw/zinc/65/80/85/357658085.db2.gz OQDCCXPQXRDDRD-UHFFFAOYSA-N 0 0 241.316 3.044 20 5 BGBDRN CC(C)CC[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189686929 357658204 /nfs/dbraw/zinc/65/82/04/357658204.db2.gz SDOQPHKQRQMZII-MRVPVSSYSA-N 0 0 243.332 3.288 20 5 BGBDRN CC(C)CC[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189686948 357658157 /nfs/dbraw/zinc/65/81/57/357658157.db2.gz SDOQPHKQRQMZII-QMMMGPOBSA-N 0 0 243.332 3.288 20 5 BGBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)C1CCCC1 ZINC000189687044 385271278 /nfs/dbraw/zinc/27/12/78/385271278.db2.gz XRMXMJVFAFVSTJ-ZETCQYMHSA-N 0 0 241.316 3.042 20 5 BGBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)C1CCCC1 ZINC000189687066 385270166 /nfs/dbraw/zinc/27/01/66/385270166.db2.gz XRMXMJVFAFVSTJ-SSDOTTSWSA-N 0 0 241.316 3.042 20 5 BGBDRN CC[C@@H](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189688117 357657899 /nfs/dbraw/zinc/65/78/99/357657899.db2.gz KNABETKVNKGJQJ-HTQZYQBOSA-N 0 0 243.332 3.288 20 5 BGBDRN CC[C@H](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189688133 347308395 /nfs/dbraw/zinc/30/83/95/347308395.db2.gz KNABETKVNKGJQJ-JGVFFNPUSA-N 0 0 243.332 3.288 20 5 BGBDRN CC[C@@H](C)C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189688155 357657946 /nfs/dbraw/zinc/65/79/46/357657946.db2.gz KNABETKVNKGJQJ-SFYZADRCSA-N 0 0 243.332 3.288 20 5 BGBDRN CC[C@H](C)C[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189688175 357657844 /nfs/dbraw/zinc/65/78/44/357657844.db2.gz KNABETKVNKGJQJ-YUMQZZPRSA-N 0 0 243.332 3.288 20 5 BGBDRN CC1(C)CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000189688523 350491301 /nfs/dbraw/zinc/49/13/01/350491301.db2.gz LHWIRDWOCNNGKN-ZETCQYMHSA-N 0 0 241.316 3.042 20 5 BGBDRN CC1(C)CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000189688539 350492248 /nfs/dbraw/zinc/49/22/48/350492248.db2.gz LHWIRDWOCNNGKN-SSDOTTSWSA-N 0 0 241.316 3.042 20 5 BGBDRN CC[C@@H](C)COc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190196065 385750457 /nfs/dbraw/zinc/75/04/57/385750457.db2.gz DNNLMJXPUWMNBP-SECBINFHSA-N 0 0 239.271 3.028 20 5 BGBDRN CC[C@H](C)COc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190196082 259386492 /nfs/dbraw/zinc/38/64/92/259386492.db2.gz DNNLMJXPUWMNBP-VIFPVBQESA-N 0 0 239.271 3.028 20 5 BGBDRN COc1ccc(OCCC(C)C)cc1[N+](=O)[O-] ZINC000190198447 385750212 /nfs/dbraw/zinc/75/02/12/385750212.db2.gz FESTWGUFPOGHCT-UHFFFAOYSA-N 0 0 239.271 3.028 20 5 BGBDRN Cc1ccc(Nc2ncc([N+](=O)[O-])s2)cc1C ZINC000190299735 324195173 /nfs/dbraw/zinc/19/51/73/324195173.db2.gz MGVHNKUCQYIBCP-UHFFFAOYSA-N 0 0 249.295 3.412 20 5 BGBDRN Cc1ccc(Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000190299789 324195137 /nfs/dbraw/zinc/19/51/37/324195137.db2.gz YGDIHVBKYUSPFL-UHFFFAOYSA-N 0 0 235.268 3.103 20 5 BGBDRN Cc1cc(C)cc(Nc2ncc([N+](=O)[O-])s2)c1 ZINC000190300437 324195131 /nfs/dbraw/zinc/19/51/31/324195131.db2.gz VWRKKVHWWFXVFH-UHFFFAOYSA-N 0 0 249.295 3.412 20 5 BGBDRN CCc1ccc(Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000190300487 324195059 /nfs/dbraw/zinc/19/50/59/324195059.db2.gz KEPFOWMOGWDTOR-UHFFFAOYSA-N 0 0 249.295 3.357 20 5 BGBDRN CC(C)(C)CCCNc1ncc([N+](=O)[O-])s1 ZINC000192461291 365387432 /nfs/dbraw/zinc/38/74/32/365387432.db2.gz UWIGIEKYTYZGKO-UHFFFAOYSA-N 0 0 243.332 3.290 20 5 BGBDRN CN(CC1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000192492626 387382808 /nfs/dbraw/zinc/38/28/08/387382808.db2.gz GQKPXFANTQDWEX-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN CC(C)=CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000192733199 636949047 /nfs/dbraw/zinc/94/90/47/636949047.db2.gz FWQFRPJVYJJQBJ-UHFFFAOYSA-N 0 0 248.282 3.116 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000192794679 170775123 /nfs/dbraw/zinc/77/51/23/170775123.db2.gz KHHJNFUZLIRCML-RKDXNWHRSA-N 0 0 237.303 3.024 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000192794692 171367568 /nfs/dbraw/zinc/36/75/68/171367568.db2.gz KHHJNFUZLIRCML-DTWKUNHWSA-N 0 0 237.303 3.024 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000192794707 387505374 /nfs/dbraw/zinc/50/53/74/387505374.db2.gz KHHJNFUZLIRCML-BDAKNGLRSA-N 0 0 237.303 3.024 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000192794718 171391075 /nfs/dbraw/zinc/39/10/75/171391075.db2.gz KHHJNFUZLIRCML-IUCAKERBSA-N 0 0 237.303 3.024 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OC1CCCC1 ZINC000192801085 644185740 /nfs/dbraw/zinc/18/57/40/644185740.db2.gz VWIUMSCUZKROPG-UHFFFAOYSA-N 0 0 249.266 3.003 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1OCCC(C)C ZINC000193043257 388413587 /nfs/dbraw/zinc/41/35/87/388413587.db2.gz KDDNZMCAUUCCGH-UHFFFAOYSA-N 0 0 239.271 3.028 20 5 BGBDRN Nc1ccc([N+](=O)[O-])c(NCCC2=CCCC2)c1 ZINC000193486757 388359167 /nfs/dbraw/zinc/35/91/67/388359167.db2.gz QARVMFUHZRROHX-UHFFFAOYSA-N 0 0 247.298 3.089 20 5 BGBDRN O=[N+]([O-])c1ccc(SCC(F)F)c(F)c1 ZINC000193503375 388363291 /nfs/dbraw/zinc/36/32/91/388363291.db2.gz HGKHXRWHXNXQQO-UHFFFAOYSA-N 0 0 237.202 3.091 20 5 BGBDRN CCCSc1ccc([N+](=O)[O-])cc1F ZINC000193503923 388363349 /nfs/dbraw/zinc/36/33/49/388363349.db2.gz OLNOUOWXUWUGJN-UHFFFAOYSA-N 0 0 215.249 3.236 20 5 BGBDRN O=[N+]([O-])c1ccc(SCCCF)c(F)c1 ZINC000193508757 388363970 /nfs/dbraw/zinc/36/39/70/388363970.db2.gz MIHYZZIULBXHAQ-UHFFFAOYSA-N 0 0 233.239 3.186 20 5 BGBDRN CC(C)C(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000193741234 387212451 /nfs/dbraw/zinc/21/24/51/387212451.db2.gz LRXOCNSKKSCJNZ-UHFFFAOYSA-N 0 0 243.332 3.145 20 5 BGBDRN CCCC1(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000193741501 388421408 /nfs/dbraw/zinc/42/14/08/388421408.db2.gz IWWDTKXXIHPBJN-UHFFFAOYSA-N 0 0 241.316 3.044 20 5 BGBDRN CCC1(CNc2ncc([N+](=O)[O-])s2)CCC1 ZINC000193813701 388449806 /nfs/dbraw/zinc/44/98/06/388449806.db2.gz GXSXWZFFCQJRAE-UHFFFAOYSA-N 0 0 241.316 3.044 20 5 BGBDRN O=[N+]([O-])c1cccnc1SCC1CCCC1 ZINC000194658133 388863162 /nfs/dbraw/zinc/86/31/62/388863162.db2.gz INASHCNPHJFCSQ-UHFFFAOYSA-N 0 0 238.312 3.272 20 5 BGBDRN CC/C=C/CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195046386 398131036 /nfs/dbraw/zinc/13/10/36/398131036.db2.gz WACGAKBJBANIPP-ONEGZZNKSA-N 0 0 235.287 3.025 20 5 BGBDRN COc1cc([N+](=O)[O-])ccc1OCCC(C)C ZINC000195196539 367348457 /nfs/dbraw/zinc/34/84/57/367348457.db2.gz LUIPALWPBBLVCJ-UHFFFAOYSA-N 0 0 239.271 3.028 20 5 BGBDRN CC(C)(C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195212555 367348958 /nfs/dbraw/zinc/34/89/58/367348958.db2.gz UHCZEJHBSHXXRX-UHFFFAOYSA-N 0 0 249.314 3.021 20 5 BGBDRN Cc1cccc(Nc2ncc([N+](=O)[O-])s2)c1 ZINC000195505117 388474315 /nfs/dbraw/zinc/47/43/15/388474315.db2.gz AKNOJOXROPEZND-UHFFFAOYSA-N 0 0 235.268 3.103 20 5 BGBDRN Cc1ccccc1Oc1ncc([N+](=O)[O-])s1 ZINC000195505149 367365254 /nfs/dbraw/zinc/36/52/54/367365254.db2.gz HEFAZNREEXVLIZ-UHFFFAOYSA-N 0 0 236.252 3.152 20 5 BGBDRN CCc1cccc(Nc2ncc([N+](=O)[O-])s2)c1 ZINC000195505303 529543407 /nfs/dbraw/zinc/54/34/07/529543407.db2.gz STILRSVXYOHDRK-UHFFFAOYSA-N 0 0 249.295 3.357 20 5 BGBDRN CC(C)CSCc1cccc([N+](=O)[O-])c1 ZINC000195550616 388480392 /nfs/dbraw/zinc/48/03/92/388480392.db2.gz LYBWRRAHPWODFT-UHFFFAOYSA-N 0 0 225.313 3.484 20 5 BGBDRN CC(C)(C)CCOc1ccccc1[N+](=O)[O-] ZINC000195595921 367371697 /nfs/dbraw/zinc/37/16/97/367371697.db2.gz CVXODIBAFSPQMU-UHFFFAOYSA-N 0 0 223.272 3.410 20 5 BGBDRN Cc1cccc(OCC2CCCC2)c1[N+](=O)[O-] ZINC000195596826 367371751 /nfs/dbraw/zinc/37/17/51/367371751.db2.gz ZKXOQRIEWKVDBJ-UHFFFAOYSA-N 0 0 235.283 3.472 20 5 BGBDRN CCCCCOc1cccc(C)c1[N+](=O)[O-] ZINC000195597111 353778184 /nfs/dbraw/zinc/77/81/84/353778184.db2.gz DMQXXDZGRKUGIT-UHFFFAOYSA-N 0 0 223.272 3.472 20 5 BGBDRN O=[N+]([O-])c1ccc(OCCF)c2ccccc21 ZINC000199847341 347768361 /nfs/dbraw/zinc/76/83/61/347768361.db2.gz MMTLYKMLBDNXPG-UHFFFAOYSA-N 0 0 235.214 3.096 20 5 BGBDRN Cc1cc(OC[Si](C)(C)C)ccc1[N+](=O)[O-] ZINC000199961311 644503427 /nfs/dbraw/zinc/50/34/27/644503427.db2.gz KSHLEGUMDWXYHY-UHFFFAOYSA-N 0 0 239.347 3.159 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OC[Si](C)(C)C)c1 ZINC000199961373 644501874 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347953689 /nfs/dbraw/zinc/95/36/89/347953689.db2.gz UYJAGOVZMZQYFG-SECBINFHSA-N 0 0 209.245 3.020 20 5 BGBDRN CC[C@H](C)COc1ccc([N+](=O)[O-])cc1 ZINC000202002885 347953749 /nfs/dbraw/zinc/95/37/49/347953749.db2.gz UYJAGOVZMZQYFG-VIFPVBQESA-N 0 0 209.245 3.020 20 5 BGBDRN Cc1cc(N2C3CCC2CC3)ccc1[N+](=O)[O-] ZINC000204273579 363893059 /nfs/dbraw/zinc/89/30/59/363893059.db2.gz XTTGLQYUDYZVNU-UHFFFAOYSA-N 0 0 232.283 3.034 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1Nc1ccccc1 ZINC000204381563 345732010 /nfs/dbraw/zinc/73/20/10/345732010.db2.gz IDXNWPGUKIUXAF-UHFFFAOYSA-N 0 0 232.214 3.478 20 5 BGBDRN CCCCCSc1cccnc1[N+](=O)[O-] ZINC000204594731 364559040 /nfs/dbraw/zinc/55/90/40/364559040.db2.gz XGTYEDVICRFMKH-UHFFFAOYSA-N 0 0 226.301 3.272 20 5 BGBDRN CCCCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000204758848 369636999 /nfs/dbraw/zinc/63/69/99/369636999.db2.gz PMUMRMDBTHERIW-UHFFFAOYSA-N 0 0 223.272 3.472 20 5 BGBDRN Cc1cccc(Nc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000205446596 345732644 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O=[N+]([O-])c1ccc(NCCCC2CCCC2)cn1 ZINC000220644732 134311616 /nfs/dbraw/zinc/31/16/16/134311616.db2.gz HMMLDGNBRZBEBI-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN O=[N+]([O-])c1cccnc1NCCCC1CCCC1 ZINC000220645076 385256273 /nfs/dbraw/zinc/25/62/73/385256273.db2.gz XCDKDQVMTQZFHR-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN O=[N+]([O-])c1ccc(NCCCC2CCCC2)nc1 ZINC000220645542 385256110 /nfs/dbraw/zinc/25/61/10/385256110.db2.gz IMHYEVXBDHLUBC-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN CCC1(CNc2nc(C)ccc2[N+](=O)[O-])CCC1 ZINC000223011278 134336031 /nfs/dbraw/zinc/33/60/31/134336031.db2.gz GRUNOZUMMLMTKA-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCC2(C(C)C)CC2)n1 ZINC000223011953 134336193 /nfs/dbraw/zinc/33/61/93/134336193.db2.gz BNPAQDSBGBANRL-UHFFFAOYSA-N 0 0 249.314 3.146 20 5 BGBDRN CCCC1(CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000223015097 134336290 /nfs/dbraw/zinc/33/62/90/134336290.db2.gz BAGZSAQHYLTNPU-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN CC[C@@H]1C[C@H]1Nc1ccc(C)cc1[N+](=O)[O-] ZINC000223246187 171141540 /nfs/dbraw/zinc/14/15/40/171141540.db2.gz RFXYGEFHXPSJKJ-MWLCHTKSSA-N 0 0 220.272 3.114 20 5 BGBDRN CC1(CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000224425278 535159888 /nfs/dbraw/zinc/15/98/88/535159888.db2.gz ALDHPYZFVUQRTJ-UHFFFAOYSA-N 0 0 240.690 3.460 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NCC1(C)CC1 ZINC000224426545 134347141 /nfs/dbraw/zinc/34/71/41/134347141.db2.gz DKPXUTTXGSKCFB-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN Cc1ccc(NCC2(C)CC2)c([N+](=O)[O-])c1 ZINC000224426739 134347381 /nfs/dbraw/zinc/34/73/81/134347381.db2.gz CUMPJWXXZLMDAG-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN CC1(CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000224430158 134347319 /nfs/dbraw/zinc/34/73/19/134347319.db2.gz UXOWYRXXZFYUFZ-UHFFFAOYSA-N 0 0 240.690 3.460 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NCC1(C)CC1 ZINC000224430956 134347179 /nfs/dbraw/zinc/34/71/79/134347179.db2.gz SGBBWJPDHMFQEQ-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN Cc1cc(NCC2(C)CC2)ccc1[N+](=O)[O-] ZINC000224431733 134347245 /nfs/dbraw/zinc/34/72/45/134347245.db2.gz SQRHRZQFGDFWIN-UHFFFAOYSA-N 0 0 220.272 3.115 20 5 BGBDRN O=[N+]([O-])c1ncccc1NCCCC1CCCC1 ZINC000225700397 371567115 /nfs/dbraw/zinc/56/71/15/371567115.db2.gz CGXHMUNEKYXFBE-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000226186748 177356832 /nfs/dbraw/zinc/35/68/32/177356832.db2.gz PLQOYUYLKORXDC-JFGNBEQYSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000226186763 177357160 /nfs/dbraw/zinc/35/71/60/177357160.db2.gz PLQOYUYLKORXDC-SCVCMEIPSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000226187237 177356577 /nfs/dbraw/zinc/35/65/77/177356577.db2.gz FTFGIQCCPLIECP-OUAUKWLOSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000226187252 177356668 /nfs/dbraw/zinc/35/66/68/177356668.db2.gz FTFGIQCCPLIECP-VWYCJHECSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000226188486 323387103 /nfs/dbraw/zinc/38/71/03/323387103.db2.gz FYNKTPNRBAFXAR-JFGNBEQYSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000226188503 388025467 /nfs/dbraw/zinc/02/54/67/388025467.db2.gz FYNKTPNRBAFXAR-SCVCMEIPSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000226189548 134359694 /nfs/dbraw/zinc/35/96/94/134359694.db2.gz YVVYPLDKBFOENC-OUAUKWLOSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000226189561 134359889 /nfs/dbraw/zinc/35/98/89/134359889.db2.gz YVVYPLDKBFOENC-VWYCJHECSA-N 0 0 249.314 3.226 20 5 BGBDRN CC1(C)C[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000226234712 134362284 /nfs/dbraw/zinc/36/22/84/134362284.db2.gz JYTNPEDOZQTZEW-MRVPVSSYSA-N 0 0 238.262 3.192 20 5 BGBDRN CC1(C)C[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000226234720 534920030 /nfs/dbraw/zinc/92/00/30/534920030.db2.gz JYTNPEDOZQTZEW-QMMMGPOBSA-N 0 0 238.262 3.192 20 5 BGBDRN CC1(C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000226234824 134362069 /nfs/dbraw/zinc/36/20/69/134362069.db2.gz ULKGQFSNOLAWAD-MRVPVSSYSA-N 0 0 238.262 3.192 20 5 BGBDRN CC1(C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000226234834 534919931 /nfs/dbraw/zinc/91/99/31/534919931.db2.gz ULKGQFSNOLAWAD-QMMMGPOBSA-N 0 0 238.262 3.192 20 5 BGBDRN CC1(C)C[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000226234923 134361929 /nfs/dbraw/zinc/36/19/29/134361929.db2.gz VAHZALVPUUXKJT-SECBINFHSA-N 0 0 220.272 3.053 20 5 BGBDRN CC1(C)C[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000226234930 534919623 /nfs/dbraw/zinc/91/96/23/534919623.db2.gz VAHZALVPUUXKJT-VIFPVBQESA-N 0 0 220.272 3.053 20 5 BGBDRN Cc1cc(NC[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000226530811 388660097 /nfs/dbraw/zinc/66/00/97/388660097.db2.gz JJPLKMVLQNBITG-JTQLQIEISA-N 0 0 234.299 3.361 20 5 BGBDRN CC1(C)C[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000226531059 644146761 /nfs/dbraw/zinc/14/67/61/644146761.db2.gz DEPNJLMTOXOPQN-MRVPVSSYSA-N 0 0 238.262 3.192 20 5 BGBDRN CC1(C)C[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000226531063 640771282 /nfs/dbraw/zinc/77/12/82/640771282.db2.gz DEPNJLMTOXOPQN-QMMMGPOBSA-N 0 0 238.262 3.192 20 5 BGBDRN CC1(C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000226531081 134364303 /nfs/dbraw/zinc/36/43/03/134364303.db2.gz RQYBXIAGKOHECE-SECBINFHSA-N 0 0 220.272 3.053 20 5 BGBDRN CC1(C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000226531085 534919625 /nfs/dbraw/zinc/91/96/25/534919625.db2.gz RQYBXIAGKOHECE-VIFPVBQESA-N 0 0 220.272 3.053 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000226549754 342793864 /nfs/dbraw/zinc/79/38/64/342793864.db2.gz NAKKKACGGIQKSB-OUAUKWLOSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000226549763 342793844 /nfs/dbraw/zinc/79/38/44/342793844.db2.gz NAKKKACGGIQKSB-VWYCJHECSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H](CNc1ncc([N+](=O)[O-])s1)C(C)(C)C ZINC000226775467 644150514 /nfs/dbraw/zinc/15/05/14/644150514.db2.gz NHFDLYPETZWLIF-ZETCQYMHSA-N 0 0 243.332 3.145 20 5 BGBDRN CC1(C)CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000226777436 344952210 /nfs/dbraw/zinc/95/22/10/344952210.db2.gz WSCJPTJAZZKAJJ-SSDOTTSWSA-N 0 0 241.316 3.042 20 5 BGBDRN CC1(C)CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000226777442 371741702 /nfs/dbraw/zinc/74/17/02/371741702.db2.gz WSCJPTJAZZKAJJ-ZETCQYMHSA-N 0 0 241.316 3.042 20 5 BGBDRN CCC1(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000226807194 385055879 /nfs/dbraw/zinc/05/58/79/385055879.db2.gz WRJWZAFDNYJRTJ-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN CCC1(CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000226807286 385054146 /nfs/dbraw/zinc/05/41/46/385054146.db2.gz YAEMKQNCWQFIBF-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN CCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000226807410 385054284 /nfs/dbraw/zinc/05/42/84/385054284.db2.gz COTSJWXNHXJHDQ-UHFFFAOYSA-N 0 0 220.272 3.197 20 5 BGBDRN 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/nfs/dbraw/zinc/86/63/47/371866347.db2.gz PTJFBKPTAZWOPV-UHFFFAOYSA-N 0 0 249.314 3.290 20 5 BGBDRN CCC1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC000230187804 344428386 /nfs/dbraw/zinc/42/83/86/344428386.db2.gz CPOUZFWLUQKOLB-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN CCC1(CNc2cccnc2[N+](=O)[O-])CCCC1 ZINC000230187910 369431562 /nfs/dbraw/zinc/43/15/62/369431562.db2.gz RBACMOMTXXNSSG-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN CCC1(CNc2ccc([N+](=O)[O-])nc2)CCCC1 ZINC000230187978 134487228 /nfs/dbraw/zinc/48/72/28/134487228.db2.gz STVBPVJCQCPDLG-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN CCC1(CNc2ccncc2[N+](=O)[O-])CCCC1 ZINC000230188004 388363891 /nfs/dbraw/zinc/36/38/91/388363891.db2.gz SJRLGLUCPOBTHF-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN CCC1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000230188134 371866158 /nfs/dbraw/zinc/86/61/58/371866158.db2.gz BQGURMGILDURMC-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN Cc1cc(NC[C@@H]2CC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000230430359 344679032 /nfs/dbraw/zinc/67/90/32/344679032.db2.gz GLXYPSGXBKXNDA-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc(NC[C@H]2CC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000230430362 344678930 /nfs/dbraw/zinc/67/89/30/344678930.db2.gz GLXYPSGXBKXNDA-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc(NC[C@@H]2CC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000230430365 344679470 /nfs/dbraw/zinc/67/94/70/344679470.db2.gz GLXYPSGXBKXNDA-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc(NC[C@H]2CC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000230430367 344679708 /nfs/dbraw/zinc/67/97/08/344679708.db2.gz GLXYPSGXBKXNDA-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cnc(NC[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000230431328 344681828 /nfs/dbraw/zinc/68/18/28/344681828.db2.gz KHEUXNXYUSYCOL-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cnc(NC[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000230431331 344681750 /nfs/dbraw/zinc/68/17/50/344681750.db2.gz KHEUXNXYUSYCOL-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cnc(NC[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000230431333 344681819 /nfs/dbraw/zinc/68/18/19/344681819.db2.gz KHEUXNXYUSYCOL-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cnc(NC[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000230431336 344681723 /nfs/dbraw/zinc/68/17/23/344681723.db2.gz KHEUXNXYUSYCOL-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1nc(NC[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000230431563 134504667 /nfs/dbraw/zinc/50/46/67/134504667.db2.gz YOKXNATZOVSDLG-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1nc(NC[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000230431566 344681687 /nfs/dbraw/zinc/68/16/87/344681687.db2.gz YOKXNATZOVSDLG-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1nc(NC[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000230431568 344681745 /nfs/dbraw/zinc/68/17/45/344681745.db2.gz YOKXNATZOVSDLG-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1nc(NC[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000230431571 344681727 /nfs/dbraw/zinc/68/17/27/344681727.db2.gz YOKXNATZOVSDLG-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[C@@H](C)C2)n1 ZINC000230432174 134504517 /nfs/dbraw/zinc/50/45/17/134504517.db2.gz QGVALKGUUFIRCP-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[C@@H](C)C2)n1 ZINC000230432177 344680561 /nfs/dbraw/zinc/68/05/61/344680561.db2.gz QGVALKGUUFIRCP-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[C@H](C)C2)n1 ZINC000230432180 344680729 /nfs/dbraw/zinc/68/07/29/344680729.db2.gz QGVALKGUUFIRCP-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[C@H](C)C2)n1 ZINC000230432182 344680622 /nfs/dbraw/zinc/68/06/22/344680622.db2.gz QGVALKGUUFIRCP-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NC[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000230432370 344682314 /nfs/dbraw/zinc/68/23/14/344682314.db2.gz CNYMFNMPYNYJAO-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NC[C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000230432373 134504787 /nfs/dbraw/zinc/50/47/87/134504787.db2.gz CNYMFNMPYNYJAO-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NC[C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000230432376 344682272 /nfs/dbraw/zinc/68/22/72/344682272.db2.gz CNYMFNMPYNYJAO-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NC[C@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000230432378 344682222 /nfs/dbraw/zinc/68/22/22/344682222.db2.gz CNYMFNMPYNYJAO-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[C@@H](C)C1 ZINC000230433400 134504827 /nfs/dbraw/zinc/50/48/27/134504827.db2.gz UAOVJYGATDEDNT-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[C@@H](C)C1 ZINC000230433402 344683098 /nfs/dbraw/zinc/68/30/98/344683098.db2.gz UAOVJYGATDEDNT-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[C@H](C)C1 ZINC000230433405 344683224 /nfs/dbraw/zinc/68/32/24/344683224.db2.gz UAOVJYGATDEDNT-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[C@H](C)C1 ZINC000230433408 344683147 /nfs/dbraw/zinc/68/31/47/344683147.db2.gz UAOVJYGATDEDNT-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cnc(NC[C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000230691640 134522635 /nfs/dbraw/zinc/52/26/35/134522635.db2.gz YMLQGGMXZDFZSA-QWRGUYRKSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cnc(NC[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000230691645 371949701 /nfs/dbraw/zinc/94/97/01/371949701.db2.gz YMLQGGMXZDFZSA-WDEREUQCSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cnc(NC[C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000230691647 371949316 /nfs/dbraw/zinc/94/93/16/371949316.db2.gz YMLQGGMXZDFZSA-MNOVXSKESA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cnc(NC[C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000230691651 371949521 /nfs/dbraw/zinc/94/95/21/371949521.db2.gz YMLQGGMXZDFZSA-GHMZBOCLSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc(NC[C@@H]2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000230691719 134523119 /nfs/dbraw/zinc/52/31/19/134523119.db2.gz QEWNBOPXSUVEOR-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc(NC[C@H]2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000230691722 371949677 /nfs/dbraw/zinc/94/96/77/371949677.db2.gz QEWNBOPXSUVEOR-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc(NC[C@@H]2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000230691726 346879857 /nfs/dbraw/zinc/87/98/57/346879857.db2.gz QEWNBOPXSUVEOR-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc(NC[C@H]2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000230691731 371948979 /nfs/dbraw/zinc/94/89/79/371948979.db2.gz QEWNBOPXSUVEOR-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1nc(NC[C@@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000230691810 371949743 /nfs/dbraw/zinc/94/97/43/371949743.db2.gz YYRUAYQGPMAZSX-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1nc(NC[C@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000230691814 346879021 /nfs/dbraw/zinc/87/90/21/346879021.db2.gz YYRUAYQGPMAZSX-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1nc(NC[C@@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000230691816 371949805 /nfs/dbraw/zinc/94/98/05/371949805.db2.gz YYRUAYQGPMAZSX-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1nc(NC[C@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000230691818 346879123 /nfs/dbraw/zinc/87/91/23/346879123.db2.gz YYRUAYQGPMAZSX-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@@H]2C)n1 ZINC000230692454 371949577 /nfs/dbraw/zinc/94/95/77/371949577.db2.gz JEKZYZZXNRHQBT-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@@H]2C)n1 ZINC000230692459 346878270 /nfs/dbraw/zinc/87/82/70/346878270.db2.gz JEKZYZZXNRHQBT-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[C@H]2C)n1 ZINC000230692464 346877806 /nfs/dbraw/zinc/87/78/06/346877806.db2.gz JEKZYZZXNRHQBT-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[C@H]2C)n1 ZINC000230692468 346878385 /nfs/dbraw/zinc/87/83/85/346878385.db2.gz JEKZYZZXNRHQBT-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NC[C@@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000230693106 371949484 /nfs/dbraw/zinc/94/94/84/371949484.db2.gz LDGBSHBWRQMINX-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NC[C@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000230693110 134515863 /nfs/dbraw/zinc/51/58/63/134515863.db2.gz LDGBSHBWRQMINX-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NC[C@@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000230693113 371949658 /nfs/dbraw/zinc/94/96/58/371949658.db2.gz LDGBSHBWRQMINX-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NC[C@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000230693116 371948938 /nfs/dbraw/zinc/94/89/38/371948938.db2.gz LDGBSHBWRQMINX-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@@H]1C ZINC000230694454 346879269 /nfs/dbraw/zinc/87/92/69/346879269.db2.gz IFUNKDGPLAJXEB-ONGXEEELSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@@H]1C ZINC000230694459 346878341 /nfs/dbraw/zinc/87/83/41/346878341.db2.gz IFUNKDGPLAJXEB-GXSJLCMTSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@H]1C ZINC000230694462 346877405 /nfs/dbraw/zinc/87/74/05/346877405.db2.gz IFUNKDGPLAJXEB-KOLCDFICSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@H]1C ZINC000230694465 134532135 /nfs/dbraw/zinc/53/21/35/134532135.db2.gz IFUNKDGPLAJXEB-MWLCHTKSSA-N 0 0 249.314 3.146 20 5 BGBDRN CC(C)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000231538954 384176603 /nfs/dbraw/zinc/17/66/03/384176603.db2.gz DPVFXSLIIDYSIO-SECBINFHSA-N 0 0 209.245 3.018 20 5 BGBDRN CC(C)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000231538972 384177920 /nfs/dbraw/zinc/17/79/20/384177920.db2.gz DPVFXSLIIDYSIO-VIFPVBQESA-N 0 0 209.245 3.018 20 5 BGBDRN C[C@@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000231749872 262917106 /nfs/dbraw/zinc/91/71/06/262917106.db2.gz KWOMBGDYXMHTFU-ZETCQYMHSA-N 0 0 248.204 3.348 20 5 BGBDRN C[C@H](CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000231749876 398326758 /nfs/dbraw/zinc/32/67/58/398326758.db2.gz KWOMBGDYXMHTFU-SSDOTTSWSA-N 0 0 248.204 3.348 20 5 BGBDRN C[C@@H](CC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000231749880 398326730 /nfs/dbraw/zinc/32/67/30/398326730.db2.gz AMJNMYCSEDIFNR-ZETCQYMHSA-N 0 0 248.204 3.348 20 5 BGBDRN C[C@H](CC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000231749884 398326692 /nfs/dbraw/zinc/32/66/92/398326692.db2.gz AMJNMYCSEDIFNR-SSDOTTSWSA-N 0 0 248.204 3.348 20 5 BGBDRN CC(C)=CCNc1c(C)cccc1[N+](=O)[O-] ZINC000232633746 135665341 /nfs/dbraw/zinc/66/53/41/135665341.db2.gz FHHYDPVBWDUVBH-UHFFFAOYSA-N 0 0 220.272 3.281 20 5 BGBDRN CC(C)=CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000232634606 353150858 /nfs/dbraw/zinc/15/08/58/353150858.db2.gz BQKRIHXOQIGKOF-UHFFFAOYSA-N 0 0 242.225 3.251 20 5 BGBDRN CC(C)=CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000232636540 353747107 /nfs/dbraw/zinc/74/71/07/353747107.db2.gz LYQCYXZELDWDRW-UHFFFAOYSA-N 0 0 220.272 3.281 20 5 BGBDRN CC(C)=CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000232640121 135666451 /nfs/dbraw/zinc/66/64/51/135666451.db2.gz HXSGZAXQEQKIGB-UHFFFAOYSA-N 0 0 220.272 3.281 20 5 BGBDRN CC(C)=CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000232641429 353153280 /nfs/dbraw/zinc/15/32/80/353153280.db2.gz YUSPZPHDHQBSSH-UHFFFAOYSA-N 0 0 224.235 3.112 20 5 BGBDRN CC(C)=CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000232641654 353153165 /nfs/dbraw/zinc/15/31/65/353153165.db2.gz UEKTZWBQNZALQW-UHFFFAOYSA-N 0 0 220.272 3.281 20 5 BGBDRN CC(C)=CCNc1ccc([N+](=O)[O-])cc1F ZINC000232641971 353152207 /nfs/dbraw/zinc/15/22/07/353152207.db2.gz GOPJTGUINCAUNL-UHFFFAOYSA-N 0 0 224.235 3.112 20 5 BGBDRN CC(C)=CCNc1cccc(C)c1[N+](=O)[O-] ZINC000232642720 353153192 /nfs/dbraw/zinc/15/31/92/353153192.db2.gz HKZFLZASDSDGAQ-UHFFFAOYSA-N 0 0 220.272 3.281 20 5 BGBDRN CC(C)=CCNc1cccc(F)c1[N+](=O)[O-] ZINC000232643272 353153151 /nfs/dbraw/zinc/15/31/51/353153151.db2.gz FSVFALDZPORQNA-UHFFFAOYSA-N 0 0 224.235 3.112 20 5 BGBDRN CC(C)=CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000232645923 135665111 /nfs/dbraw/zinc/66/51/11/135665111.db2.gz PLDVMHKTKFELCF-UHFFFAOYSA-N 0 0 241.678 3.021 20 5 BGBDRN CC(C)=CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000232646346 353153268 /nfs/dbraw/zinc/15/32/68/353153268.db2.gz GPADQKBMGJNBON-UHFFFAOYSA-N 0 0 241.678 3.021 20 5 BGBDRN CCC(C)(C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000233011828 168282291 /nfs/dbraw/zinc/28/22/91/168282291.db2.gz DOHPSPMNRMPPPE-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(C)(C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000233025970 357691427 /nfs/dbraw/zinc/69/14/27/357691427.db2.gz NYLAJKQPAZERCC-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC000233026491 355306344 /nfs/dbraw/zinc/30/63/44/355306344.db2.gz QYGZJUGXTYOEAY-UHFFFAOYSA-N 0 0 222.288 3.443 20 5 BGBDRN CC1(CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000233032699 357691986 /nfs/dbraw/zinc/69/19/86/357691986.db2.gz UQAOPOCMETUGHH-UHFFFAOYSA-N 0 0 240.690 3.460 20 5 BGBDRN CCC(C)(C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000233038832 386757580 /nfs/dbraw/zinc/75/75/80/386757580.db2.gz YYOUHTWMLMGXHK-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CC1(CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000233041982 642646722 /nfs/dbraw/zinc/64/67/22/642646722.db2.gz RUQUJOSJSRTTKX-UHFFFAOYSA-N 0 0 240.690 3.460 20 5 BGBDRN CCC(C)(C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000233043217 355327886 /nfs/dbraw/zinc/32/78/86/355327886.db2.gz JFAZJTXVENGCLB-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(C)(C)CNc1ncc([N+](=O)[O-])cc1C ZINC000233043738 353790900 /nfs/dbraw/zinc/79/09/00/353790900.db2.gz LYIKNOMKQZTARJ-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CCC(C)(C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000233044577 355327868 /nfs/dbraw/zinc/32/78/68/355327868.db2.gz HREFUDPLBVUITR-UHFFFAOYSA-N 0 0 237.303 3.146 20 5 BGBDRN CC[C@@H](C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000233838768 535526289 /nfs/dbraw/zinc/52/62/89/535526289.db2.gz ILLUAFVYDJQHEC-SSDOTTSWSA-N 0 0 243.694 3.101 20 5 BGBDRN CC[C@H](C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000233977846 342916513 /nfs/dbraw/zinc/91/65/13/342916513.db2.gz ILLUAFVYDJQHEC-ZETCQYMHSA-N 0 0 243.694 3.101 20 5 BGBDRN O=C(C=C1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000244450997 644513100 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ZINC000251604823 384486647 /nfs/dbraw/zinc/48/66/47/384486647.db2.gz BVNCAWAYZGZXCR-SCVCMEIPSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000251792646 135077847 /nfs/dbraw/zinc/07/78/47/135077847.db2.gz LQETUKJKMGMYAE-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000251792650 135077706 /nfs/dbraw/zinc/07/77/06/135077706.db2.gz LQETUKJKMGMYAE-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000251857335 135079464 /nfs/dbraw/zinc/07/94/64/135079464.db2.gz PNSPNOMOLXTTKK-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000251857337 135078817 /nfs/dbraw/zinc/07/88/17/135078817.db2.gz PNSPNOMOLXTTKK-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000251987640 135082484 /nfs/dbraw/zinc/08/24/84/135082484.db2.gz ZCRKLFDWBBUXPW-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 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C[C@@H]1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1C ZINC000252204406 363218252 /nfs/dbraw/zinc/21/82/52/363218252.db2.gz UUFFMUWFIIJQMX-OUAUKWLOSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1C ZINC000252204407 363218162 /nfs/dbraw/zinc/21/81/62/363218162.db2.gz UUFFMUWFIIJQMX-VWYCJHECSA-N 0 0 249.314 3.226 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](C)CC2)n1 ZINC000252708480 325691093 /nfs/dbraw/zinc/69/10/93/325691093.db2.gz ADVMVVYGOPKJAC-HOMQSWHASA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@H]2CC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000252748422 325694748 /nfs/dbraw/zinc/69/47/48/325694748.db2.gz SUCUEHVRBCRGHG-HOMQSWHASA-N 0 0 249.314 3.289 20 5 BGBDRN C[C@@H]1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000252810153 368158793 /nfs/dbraw/zinc/15/87/93/368158793.db2.gz MOOVWJDMOOGWGS-GMTAPVOTSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000252810154 368159456 /nfs/dbraw/zinc/15/94/56/368159456.db2.gz MOOVWJDMOOGWGS-MXWKQRLJSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000252894772 368164681 /nfs/dbraw/zinc/16/46/81/368164681.db2.gz WQNMJPNOFXQJOF-URLYPYJESA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000252895420 368164263 /nfs/dbraw/zinc/16/42/63/368164263.db2.gz YRTGFAPBMSIVER-OUAUKWLOSA-N 0 0 249.314 3.226 20 5 BGBDRN C[C@@H]1CCC[C@H](Nc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000252895422 368164431 /nfs/dbraw/zinc/16/44/31/368164431.db2.gz YRTGFAPBMSIVER-VWYCJHECSA-N 0 0 249.314 3.226 20 5 BGBDRN Cc1ccnc(N[C@H]2CC[C@H](C)CC2)c1[N+](=O)[O-] ZINC000252895697 368164632 /nfs/dbraw/zinc/16/46/32/368164632.db2.gz ZHZCVWMIHRZFJV-HOMQSWHASA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](C)CC1 ZINC000252965082 368179516 /nfs/dbraw/zinc/17/95/16/368179516.db2.gz RNQRUVSMLMMSMB-HOMQSWHASA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@H]2CC[C@H](C)CC2)ncc1[N+](=O)[O-] ZINC000253184790 135122979 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/nfs/dbraw/zinc/40/51/70/631405170.db2.gz MOBLKGJJUVADKH-DJWKRKHSSA-N 0 0 227.647 3.035 20 5 BGBDRN Cc1cccc(OC/C=C\Cl)c1[N+](=O)[O-] ZINC000255391588 631460965 /nfs/dbraw/zinc/46/09/65/631460965.db2.gz GSKNXYXEIBZLER-UTCJRWHESA-N 0 0 227.647 3.035 20 5 BGBDRN C/C=C\CSCc1ccccc1[N+](=O)[O-] ZINC000255506475 135129911 /nfs/dbraw/zinc/12/99/11/135129911.db2.gz GMZPXXPUKGPDQD-IHWYPQMZSA-N 0 0 223.297 3.404 20 5 BGBDRN O=[N+]([O-])c1cc(NC/C=C\Cl)ccc1Cl ZINC000255561166 642444253 /nfs/dbraw/zinc/44/42/53/642444253.db2.gz PPTAITHYKFEZOU-RJRFIUFISA-N 0 0 247.081 3.413 20 5 BGBDRN C/C=C\CSCc1ccc([N+](=O)[O-])cc1 ZINC000255570750 135130121 /nfs/dbraw/zinc/13/01/21/135130121.db2.gz LPPMCEIZAMMFIS-IHWYPQMZSA-N 0 0 223.297 3.404 20 5 BGBDRN O=[N+]([O-])c1cccc(NC/C(Cl)=C\Cl)c1 ZINC000255638336 632676257 /nfs/dbraw/zinc/67/62/57/632676257.db2.gz GAUVGUOCKTWETL-FNORWQNLSA-N 0 0 247.081 3.326 20 5 BGBDRN C/C=C(/C)C(=O)Oc1ccc(CC)cc1[N+](=O)[O-] ZINC000255719931 632703827 /nfs/dbraw/zinc/70/38/27/632703827.db2.gz LUOVFGGMTBJDQM-WTKPLQERSA-N 0 0 249.266 3.029 20 5 BGBDRN CC/C=C\COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000255772776 632728262 /nfs/dbraw/zinc/72/82/62/632728262.db2.gz MHMQZZYQARLNEP-PLNGDYQASA-N 0 0 249.266 3.026 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1OC/C=C\Cl ZINC000255773300 632727868 /nfs/dbraw/zinc/72/78/68/632727868.db2.gz OCMJJYWHRCNCHX-RJRFIUFISA-N 0 0 248.065 3.380 20 5 BGBDRN O=[N+]([O-])c1cccc(Cl)c1OC/C=C\Cl ZINC000255864347 632790220 /nfs/dbraw/zinc/79/02/20/632790220.db2.gz SXLKUGGWBIKWOD-DJWKRKHSSA-N 0 0 248.065 3.380 20 5 BGBDRN C/C=C\CSCc1cccc([N+](=O)[O-])c1 ZINC000255883498 135130752 /nfs/dbraw/zinc/13/07/52/135130752.db2.gz GBRCCMANQKPETN-IHWYPQMZSA-N 0 0 223.297 3.404 20 5 BGBDRN Cc1ccc(OC/C=C\Cl)cc1[N+](=O)[O-] ZINC000255886607 632901764 /nfs/dbraw/zinc/90/17/64/632901764.db2.gz AFOVQLXDERWBGG-DJWKRKHSSA-N 0 0 227.647 3.035 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OC/C=C\Cl)c1 ZINC000255900566 633009109 /nfs/dbraw/zinc/00/91/09/633009109.db2.gz AMGFCXPWFOPQBC-DJWKRKHSSA-N 0 0 227.647 3.035 20 5 BGBDRN Cc1c(OC/C=C\Cl)cccc1[N+](=O)[O-] ZINC000255905816 633012643 /nfs/dbraw/zinc/01/26/43/633012643.db2.gz CPISYSAQNOTMJZ-UTCJRWHESA-N 0 0 227.647 3.035 20 5 BGBDRN CC[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000264596251 385630795 /nfs/dbraw/zinc/63/07/95/385630795.db2.gz GVUNEHCJRBNHGE-MRVPVSSYSA-N 0 0 247.254 3.158 20 5 BGBDRN CC[C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000264596252 385637789 /nfs/dbraw/zinc/63/77/89/385637789.db2.gz GVUNEHCJRBNHGE-QMMMGPOBSA-N 0 0 247.254 3.158 20 5 BGBDRN CC[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000265034416 385898378 /nfs/dbraw/zinc/89/83/78/385898378.db2.gz WUKSIFZUJBFJGF-MRVPVSSYSA-N 0 0 247.254 3.158 20 5 BGBDRN CC[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000265034419 385896909 /nfs/dbraw/zinc/89/69/09/385896909.db2.gz WUKSIFZUJBFJGF-QMMMGPOBSA-N 0 0 247.254 3.158 20 5 BGBDRN Cc1ccnc(N2CCCCCCC2)c1[N+](=O)[O-] ZINC000265267922 386652687 /nfs/dbraw/zinc/65/26/87/386652687.db2.gz UIJYHNJRTYOXJF-UHFFFAOYSA-N 0 0 249.314 3.069 20 5 BGBDRN CC(C)[C@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000265400491 535176704 /nfs/dbraw/zinc/17/67/04/535176704.db2.gz IKCOGFNEXANKBZ-GFCCVEGCSA-N 0 0 249.314 3.005 20 5 BGBDRN CC(C)[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000265400492 132182140 /nfs/dbraw/zinc/18/21/40/132182140.db2.gz IKCOGFNEXANKBZ-LBPRGKRZSA-N 0 0 249.314 3.005 20 5 BGBDRN CC(C)[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000265404290 535175578 /nfs/dbraw/zinc/17/55/78/535175578.db2.gz JPRUJGCGBCPDNZ-LLVKDONJSA-N 0 0 249.314 3.005 20 5 BGBDRN CC(C)[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000265404294 132182374 /nfs/dbraw/zinc/18/23/74/132182374.db2.gz JPRUJGCGBCPDNZ-NSHDSACASA-N 0 0 249.314 3.005 20 5 BGBDRN COCCS[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266361859 174376665 /nfs/dbraw/zinc/37/66/65/174376665.db2.gz RZSBOLXZEZQTGV-SECBINFHSA-N 0 0 241.312 3.035 20 5 BGBDRN COCCS[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266361861 174376202 /nfs/dbraw/zinc/37/62/02/174376202.db2.gz RZSBOLXZEZQTGV-VIFPVBQESA-N 0 0 241.312 3.035 20 5 BGBDRN CCS[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266371387 386493369 /nfs/dbraw/zinc/49/33/69/386493369.db2.gz UWOUHAUMGBXTHJ-MRVPVSSYSA-N 0 0 211.286 3.409 20 5 BGBDRN CCS[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266371388 517747171 /nfs/dbraw/zinc/74/71/71/517747171.db2.gz UWOUHAUMGBXTHJ-QMMMGPOBSA-N 0 0 211.286 3.409 20 5 BGBDRN CSCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266833994 175531142 /nfs/dbraw/zinc/53/11/42/175531142.db2.gz IUPPQDWWALMDCS-UHFFFAOYSA-N 0 0 217.677 3.111 20 5 BGBDRN CCC1(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000267192994 386194683 /nfs/dbraw/zinc/19/46/83/386194683.db2.gz LHOOCGQLWWGJIA-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000267366967 168441748 /nfs/dbraw/zinc/44/17/48/168441748.db2.gz DZJLNKIQOKXUJJ-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CCC1 ZINC000267388244 386770487 /nfs/dbraw/zinc/77/04/87/386770487.db2.gz JPPUIHPMZHPFJQ-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1c(NC(=O)C2(C)CCC2)cccc1[N+](=O)[O-] ZINC000267394704 386786859 /nfs/dbraw/zinc/78/68/59/386786859.db2.gz LGCWAGDIPCAUTO-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1ccc(NC(=O)C2(C)CCC2)cc1[N+](=O)[O-] ZINC000267423339 386825397 /nfs/dbraw/zinc/82/53/97/386825397.db2.gz LGKWWHZXWCDQCO-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN CCC1(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000267439141 386832217 /nfs/dbraw/zinc/83/22/17/386832217.db2.gz XEBNMOHKMVOPHA-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN C/C=C(\C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000267604320 187507839 /nfs/dbraw/zinc/50/78/39/187507839.db2.gz YKLWRPDNWSXJIL-VMPITWQZSA-N 0 0 248.282 3.116 20 5 BGBDRN CC(=O)c1ccc(NC2CC(C)C2)c([N+](=O)[O-])c1 ZINC000267710915 386470024 /nfs/dbraw/zinc/47/00/24/386470024.db2.gz SXRWMIMRMWOEDE-UHFFFAOYSA-N 0 0 248.282 3.008 20 5 BGBDRN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1C ZINC000267725394 177112302 /nfs/dbraw/zinc/11/23/02/177112302.db2.gz ZHMGDQBRTOCURH-WDEREUQCSA-N 0 0 234.299 3.140 20 5 BGBDRN CCC1(CC)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000267997493 168459462 /nfs/dbraw/zinc/45/94/62/168459462.db2.gz ARTCPNHFVOACAD-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN Cc1nc(N2CCCCCCC2)ccc1[N+](=O)[O-] ZINC000268437512 180001926 /nfs/dbraw/zinc/00/19/26/180001926.db2.gz CLCAGFNHSOFTGH-UHFFFAOYSA-N 0 0 249.314 3.069 20 5 BGBDRN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000268533663 132192291 /nfs/dbraw/zinc/19/22/91/132192291.db2.gz XVZBNAJCAVLVCX-LLVKDONJSA-N 0 0 249.314 3.067 20 5 BGBDRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000268533668 132192425 /nfs/dbraw/zinc/19/24/25/132192425.db2.gz XVZBNAJCAVLVCX-NSHDSACASA-N 0 0 249.314 3.067 20 5 BGBDRN CCCCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000268724495 169037615 /nfs/dbraw/zinc/03/76/15/169037615.db2.gz LPPMWWWHJRGTRL-UHFFFAOYSA-N 0 0 233.271 3.053 20 5 BGBDRN CC(=O)c1ccc(NC2(C)CCC2)c([N+](=O)[O-])c1 ZINC000269972111 387296142 /nfs/dbraw/zinc/29/61/42/387296142.db2.gz OQXQZGZZZRHDMA-UHFFFAOYSA-N 0 0 248.282 3.152 20 5 BGBDRN CC(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000270944050 187848622 /nfs/dbraw/zinc/84/86/22/187848622.db2.gz KEJDPCBKODMBRH-UHFFFAOYSA-N 0 0 245.282 3.114 20 5 BGBDRN CC[C@@H]1CC[C@@H](C)N1c1cc(C)c([N+](=O)[O-])cn1 ZINC000271376165 171037739 /nfs/dbraw/zinc/03/77/39/171037739.db2.gz FEHIQXPLZSKQGN-GHMZBOCLSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@H]1CC[C@@H](C)N1c1cc(C)c([N+](=O)[O-])cn1 ZINC000271376169 488107024 /nfs/dbraw/zinc/10/70/24/488107024.db2.gz FEHIQXPLZSKQGN-MNOVXSKESA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@H]1CC[C@H](C)N1c1cc(C)c([N+](=O)[O-])cn1 ZINC000271376172 488106756 /nfs/dbraw/zinc/10/67/56/488106756.db2.gz FEHIQXPLZSKQGN-QWRGUYRKSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@@H]1CC[C@H](C)N1c1cc(C)c([N+](=O)[O-])cn1 ZINC000271376176 171055147 /nfs/dbraw/zinc/05/51/47/171055147.db2.gz FEHIQXPLZSKQGN-WDEREUQCSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])c(C)n1 ZINC000271381660 171054302 /nfs/dbraw/zinc/05/43/02/171054302.db2.gz FXLJOJZZRGWFLV-GXSJLCMTSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])c(C)n1 ZINC000271381662 171642957 /nfs/dbraw/zinc/64/29/57/171642957.db2.gz FXLJOJZZRGWFLV-KOLCDFICSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])c(C)n1 ZINC000271381664 171038608 /nfs/dbraw/zinc/03/86/08/171038608.db2.gz FXLJOJZZRGWFLV-MWLCHTKSSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])c(C)n1 ZINC000271381666 171646328 /nfs/dbraw/zinc/64/63/28/171646328.db2.gz FXLJOJZZRGWFLV-ONGXEEELSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@@H]1CC[C@@H](C)N1c1ncc(C)cc1[N+](=O)[O-] ZINC000271413472 171037727 /nfs/dbraw/zinc/03/77/27/171037727.db2.gz KMDLZWRQLZINBV-GHMZBOCLSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@H]1CC[C@@H](C)N1c1ncc(C)cc1[N+](=O)[O-] ZINC000271413474 384734765 /nfs/dbraw/zinc/73/47/65/384734765.db2.gz KMDLZWRQLZINBV-MNOVXSKESA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@H]1CC[C@H](C)N1c1ncc(C)cc1[N+](=O)[O-] ZINC000271413476 388387187 /nfs/dbraw/zinc/38/71/87/388387187.db2.gz KMDLZWRQLZINBV-QWRGUYRKSA-N 0 0 249.314 3.066 20 5 BGBDRN CC[C@@H]1CC[C@H](C)N1c1ncc(C)cc1[N+](=O)[O-] ZINC000271413478 171055876 /nfs/dbraw/zinc/05/58/76/171055876.db2.gz KMDLZWRQLZINBV-WDEREUQCSA-N 0 0 249.314 3.066 20 5 BGBDRN Cc1cc(NC(=O)CCC2CC2)ccc1[N+](=O)[O-] ZINC000272174489 178128121 /nfs/dbraw/zinc/12/81/21/178128121.db2.gz DVNLNZSTDURVTR-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1cc(NC(=O)C2(C)CCC2)ccc1[N+](=O)[O-] ZINC000272304498 178125810 /nfs/dbraw/zinc/12/58/10/178125810.db2.gz SAVUOHUBDQZCNG-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1nn(CC2CCC2)c2ccc([N+](=O)[O-])cc12 ZINC000272372759 180385784 /nfs/dbraw/zinc/38/57/84/180385784.db2.gz PUZHPWLQQOMJAI-UHFFFAOYSA-N 0 0 245.282 3.053 20 5 BGBDRN Cc1nn(CCCC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000275429697 180388087 /nfs/dbraw/zinc/38/80/87/180388087.db2.gz FXTMYELURHFKKE-UHFFFAOYSA-N 0 0 239.319 3.234 20 5 BGBDRN Cc1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000275774557 180458333 /nfs/dbraw/zinc/45/83/33/180458333.db2.gz AUBVWYCFXTYKLS-UHFFFAOYSA-N 0 0 247.254 3.077 20 5 BGBDRN Cc1cc(NC2CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000276988237 178153900 /nfs/dbraw/zinc/15/39/00/178153900.db2.gz GKKWMOJOSXCGLR-UHFFFAOYSA-N 0 0 242.225 3.113 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NC1CC(F)(F)C1 ZINC000277216530 178272448 /nfs/dbraw/zinc/27/24/48/178272448.db2.gz RGQWZCUYHTVAGZ-UHFFFAOYSA-N 0 0 242.225 3.113 20 5 BGBDRN Cc1ccc(NC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000277240937 388745229 /nfs/dbraw/zinc/74/52/29/388745229.db2.gz UOPADAOITDOKKV-UHFFFAOYSA-N 0 0 242.225 3.113 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NC1CC(F)(F)C1 ZINC000277241035 179206656 /nfs/dbraw/zinc/20/66/56/179206656.db2.gz UQQJWYDMNFFFAH-UHFFFAOYSA-N 0 0 242.225 3.113 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC2CC(F)(F)C2)c1 ZINC000277255948 178929162 /nfs/dbraw/zinc/92/91/62/178929162.db2.gz WDMTZPAFFAHCLO-UHFFFAOYSA-N 0 0 242.225 3.113 20 5 BGBDRN Cc1cccc(NC2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000277259601 187340101 /nfs/dbraw/zinc/34/01/01/187340101.db2.gz WPNCJJOTKBQFSP-UHFFFAOYSA-N 0 0 242.225 3.113 20 5 BGBDRN CC(C)=CCSc1ncccc1[N+](=O)[O-] ZINC000278542814 388755630 /nfs/dbraw/zinc/75/56/30/388755630.db2.gz VDCXQZBEMAMEOV-UHFFFAOYSA-N 0 0 224.285 3.048 20 5 BGBDRN CCC(=O)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000280016831 168256331 /nfs/dbraw/zinc/25/63/31/168256331.db2.gz JKUAPXLFBOFXNM-UHFFFAOYSA-N 0 0 248.282 3.009 20 5 BGBDRN CCC[C@@H](CC)Sc1ncc([N+](=O)[O-])cn1 ZINC000280289085 169381438 /nfs/dbraw/zinc/38/14/38/169381438.db2.gz QJUFYSURZWIOOW-SECBINFHSA-N 0 0 241.316 3.056 20 5 BGBDRN CCC[C@H](CC)Sc1ncc([N+](=O)[O-])cn1 ZINC000280289089 388782306 /nfs/dbraw/zinc/78/23/06/388782306.db2.gz QJUFYSURZWIOOW-VIFPVBQESA-N 0 0 241.316 3.056 20 5 BGBDRN CC[C@@H]1C[C@H]1Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000280700261 171142157 /nfs/dbraw/zinc/14/21/57/171142157.db2.gz GRYBVWBHEAHJAW-BXKDBHETSA-N 0 0 248.282 3.008 20 5 BGBDRN CCC(=O)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000280737174 168256203 /nfs/dbraw/zinc/25/62/03/168256203.db2.gz NZFJSBLGYBRXAX-UHFFFAOYSA-N 0 0 248.282 3.152 20 5 BGBDRN Cc1nn(C[C@H](C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000281057367 180390805 /nfs/dbraw/zinc/39/08/05/180390805.db2.gz TVTRPNYMUCEPEJ-SECBINFHSA-N 0 0 239.319 3.090 20 5 BGBDRN Cc1nn(C[C@@H](C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000281057372 180390174 /nfs/dbraw/zinc/39/01/74/180390174.db2.gz TVTRPNYMUCEPEJ-VIFPVBQESA-N 0 0 239.319 3.090 20 5 BGBDRN CC[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281996824 171003281 /nfs/dbraw/zinc/00/32/81/171003281.db2.gz TYODKBHBQAGFDI-HTQZYQBOSA-N 0 0 241.316 3.042 20 5 BGBDRN CC[C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281996826 388810151 /nfs/dbraw/zinc/81/01/51/388810151.db2.gz TYODKBHBQAGFDI-JGVFFNPUSA-N 0 0 241.316 3.042 20 5 BGBDRN CC[C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281996831 371430148 /nfs/dbraw/zinc/43/01/48/371430148.db2.gz TYODKBHBQAGFDI-SFYZADRCSA-N 0 0 241.316 3.042 20 5 BGBDRN CC[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281996834 388811167 /nfs/dbraw/zinc/81/11/67/388811167.db2.gz TYODKBHBQAGFDI-YUMQZZPRSA-N 0 0 241.316 3.042 20 5 BGBDRN CC(=O)c1cc(N[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000283667877 388824560 /nfs/dbraw/zinc/82/45/60/388824560.db2.gz WLOMRDHLVHLHJZ-MRVPVSSYSA-N 0 0 248.282 3.008 20 5 BGBDRN CC(=O)c1cc(N[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000283667879 388823794 /nfs/dbraw/zinc/82/37/94/388823794.db2.gz WLOMRDHLVHLHJZ-QMMMGPOBSA-N 0 0 248.282 3.008 20 5 BGBDRN CC[C@@H](C)[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000283906123 170792347 /nfs/dbraw/zinc/79/23/47/170792347.db2.gz WJLJTNDKDIMTMZ-BDAKNGLRSA-N 0 0 237.303 3.024 20 5 BGBDRN CC[C@H](C)[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000283906128 171367492 /nfs/dbraw/zinc/36/74/92/171367492.db2.gz WJLJTNDKDIMTMZ-DTWKUNHWSA-N 0 0 237.303 3.024 20 5 BGBDRN CC[C@H](C)[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000283906129 171391405 /nfs/dbraw/zinc/39/14/05/171391405.db2.gz WJLJTNDKDIMTMZ-IUCAKERBSA-N 0 0 237.303 3.024 20 5 BGBDRN CC[C@@H](C)[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000283906133 383933351 /nfs/dbraw/zinc/93/33/51/383933351.db2.gz WJLJTNDKDIMTMZ-RKDXNWHRSA-N 0 0 237.303 3.024 20 5 BGBDRN O=[N+]([O-])c1cccc(OCCCCCF)c1 ZINC000283928642 388826143 /nfs/dbraw/zinc/82/61/43/388826143.db2.gz FAYJEFAQJPLTCF-UHFFFAOYSA-N 0 0 227.235 3.113 20 5 BGBDRN O=[N+]([O-])c1ccccc1OCCCCCF ZINC000283973602 383942135 /nfs/dbraw/zinc/94/21/35/383942135.db2.gz GMJKEHOFPPDPFL-UHFFFAOYSA-N 0 0 227.235 3.113 20 5 BGBDRN CC(C)=CCOc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000284325414 388828452 /nfs/dbraw/zinc/82/84/52/388828452.db2.gz UFFNJNQHLCDVQR-UHFFFAOYSA-N 0 0 249.266 3.142 20 5 BGBDRN O=[N+]([O-])c1ccc(OCCCCCF)c(F)c1 ZINC000284410376 388828239 /nfs/dbraw/zinc/82/82/39/388828239.db2.gz NMXUJRCVOMHAKA-UHFFFAOYSA-N 0 0 245.225 3.253 20 5 BGBDRN O=[N+]([O-])c1cccc(NCCCCCF)c1 ZINC000284430471 388827472 /nfs/dbraw/zinc/82/74/72/388827472.db2.gz OTACQDGMSBFLGR-UHFFFAOYSA-N 0 0 226.251 3.147 20 5 BGBDRN O=[N+]([O-])c1ccc(F)cc1OCCCCCF ZINC000284452869 384200156 /nfs/dbraw/zinc/20/01/56/384200156.db2.gz QBMXZHHYAMCXNV-UHFFFAOYSA-N 0 0 245.225 3.253 20 5 BGBDRN O=[N+]([O-])c1ccc(OCCCCCF)cc1 ZINC000284454639 388828415 /nfs/dbraw/zinc/82/84/15/388828415.db2.gz QEQZRASFNNDPKB-UHFFFAOYSA-N 0 0 227.235 3.113 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1OCCCCCF ZINC000284497391 388828304 /nfs/dbraw/zinc/82/83/04/388828304.db2.gz SRESZOUNNTYPHR-UHFFFAOYSA-N 0 0 245.225 3.253 20 5 BGBDRN O=[N+]([O-])c1cc(NCCCCCF)ccc1F ZINC000284514426 384262424 /nfs/dbraw/zinc/26/24/24/384262424.db2.gz UHFQGYPCPAUHTM-UHFFFAOYSA-N 0 0 244.241 3.286 20 5 BGBDRN O=[N+]([O-])c1ccc(OCCCCCF)cc1F ZINC000284544067 388829925 /nfs/dbraw/zinc/82/99/25/388829925.db2.gz VQUNOSLBIXAEGM-UHFFFAOYSA-N 0 0 245.225 3.253 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1OCCCCCF ZINC000284567757 388830038 /nfs/dbraw/zinc/83/00/38/388830038.db2.gz WRZBBKGVQQCTQH-UHFFFAOYSA-N 0 0 245.225 3.253 20 5 BGBDRN O=[N+]([O-])c1ccc(SCCCCF)cc1 ZINC000284963021 388832592 /nfs/dbraw/zinc/83/25/92/388832592.db2.gz DMCQJEDOBZWQOX-UHFFFAOYSA-N 0 0 229.276 3.437 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCCCF ZINC000284969514 182923299 /nfs/dbraw/zinc/92/32/99/182923299.db2.gz BEYJBPMDVVNABQ-UHFFFAOYSA-N 0 0 247.653 3.377 20 5 BGBDRN O=[N+]([O-])c1ccc(Cl)cc1OCCCCF ZINC000284972695 388833749 /nfs/dbraw/zinc/83/37/49/388833749.db2.gz BIWDGEDHYDJWAO-UHFFFAOYSA-N 0 0 247.653 3.377 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1OCCCCF ZINC000284986097 178273066 /nfs/dbraw/zinc/27/30/66/178273066.db2.gz CAKBSKKNWPGLFW-UHFFFAOYSA-N 0 0 227.235 3.032 20 5 BGBDRN O=[N+]([O-])c1ccc(OCCCCF)c(Cl)c1 ZINC000284993758 182939550 /nfs/dbraw/zinc/93/95/50/182939550.db2.gz CIVNCJJHTMNVLB-UHFFFAOYSA-N 0 0 247.653 3.377 20 5 BGBDRN O=[N+]([O-])c1cccc(Cl)c1OCCCCF ZINC000285011398 388833973 /nfs/dbraw/zinc/83/39/73/388833973.db2.gz DIFHOJGIUMXSLC-UHFFFAOYSA-N 0 0 247.653 3.377 20 5 BGBDRN COCCCCSc1ccc([N+](=O)[O-])cc1 ZINC000285015815 174207941 /nfs/dbraw/zinc/20/79/41/174207941.db2.gz HWJVPQNCYSPDBV-UHFFFAOYSA-N 0 0 241.312 3.114 20 5 BGBDRN O=[N+]([O-])c1ccc(Cl)c(OCCCCF)c1 ZINC000285055495 398242470 /nfs/dbraw/zinc/24/24/70/398242470.db2.gz GSDVKSHNFNOLDO-UHFFFAOYSA-N 0 0 247.653 3.377 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1NCCCCF ZINC000285057012 398242485 /nfs/dbraw/zinc/24/24/85/398242485.db2.gz GDLNFRPQVDCSBN-UHFFFAOYSA-N 0 0 226.251 3.065 20 5 BGBDRN Cc1cc(OCCCCF)ccc1[N+](=O)[O-] ZINC000285090912 178209315 /nfs/dbraw/zinc/20/93/15/178209315.db2.gz IQDMNCWAHRIGKJ-UHFFFAOYSA-N 0 0 227.235 3.032 20 5 BGBDRN Cc1ccc(OCCCCF)c([N+](=O)[O-])c1 ZINC000285148916 187344557 /nfs/dbraw/zinc/34/45/57/187344557.db2.gz LXFFKXMWTPXPAH-UHFFFAOYSA-N 0 0 227.235 3.032 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OCCCCF)c1 ZINC000285158005 592712494 /nfs/dbraw/zinc/71/24/94/592712494.db2.gz MKJKBWWOTGFUSF-UHFFFAOYSA-N 0 0 227.235 3.032 20 5 BGBDRN Cc1ccc(OCCCCF)cc1[N+](=O)[O-] ZINC000285176276 385905196 /nfs/dbraw/zinc/90/51/96/385905196.db2.gz NRZARTWPADQLDR-UHFFFAOYSA-N 0 0 227.235 3.032 20 5 BGBDRN CCSCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285191548 398249439 /nfs/dbraw/zinc/24/94/39/398249439.db2.gz VLZKSCIYGKEDMF-UHFFFAOYSA-N 0 0 233.239 3.126 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1OCCCCF ZINC000285208041 384424072 /nfs/dbraw/zinc/42/40/72/384424072.db2.gz PLXBPRXRYWILPC-UHFFFAOYSA-N 0 0 227.235 3.032 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)c(OCC2CC2)cc1F ZINC000285218139 182921403 /nfs/dbraw/zinc/92/14/03/182921403.db2.gz PSVVHWCYCNSRKZ-UHFFFAOYSA-N 0 0 245.637 3.176 20 5 BGBDRN Cc1c(OCCCCF)cccc1[N+](=O)[O-] ZINC000285228585 177625165 /nfs/dbraw/zinc/62/51/65/177625165.db2.gz QQBZMFYSCCLRGI-UHFFFAOYSA-N 0 0 227.235 3.032 20 5 BGBDRN O=[N+]([O-])c1cccnc1SCCCCCF ZINC000285246551 352031736 /nfs/dbraw/zinc/03/17/36/352031736.db2.gz OFQITPPNWYHLEB-UHFFFAOYSA-N 0 0 244.291 3.222 20 5 BGBDRN Cc1cccc(OCCCCF)c1[N+](=O)[O-] ZINC000285348060 179164540 /nfs/dbraw/zinc/16/45/40/179164540.db2.gz ZGPABAOMRSQOMH-UHFFFAOYSA-N 0 0 227.235 3.032 20 5 BGBDRN CCCCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000285480389 388835630 /nfs/dbraw/zinc/83/56/30/388835630.db2.gz CZSJHJUHHXDQDT-UHFFFAOYSA-N 0 0 236.271 3.009 20 5 BGBDRN CC(=O)c1cc(NC2CCCC2)ccc1[N+](=O)[O-] ZINC000285632891 397928787 /nfs/dbraw/zinc/92/87/87/397928787.db2.gz NJPSVZPWRCNTQW-UHFFFAOYSA-N 0 0 248.282 3.152 20 5 BGBDRN CC(=O)c1cc(NCC2CCC2)ccc1[N+](=O)[O-] ZINC000286132470 384242989 /nfs/dbraw/zinc/24/29/89/384242989.db2.gz MZLLYIYMTQYLTL-UHFFFAOYSA-N 0 0 248.282 3.009 20 5 BGBDRN Nc1ccc(NCCC2=CCCC2)c([N+](=O)[O-])c1 ZINC000286260075 384258401 /nfs/dbraw/zinc/25/84/01/384258401.db2.gz PTKXIGLMANTQHI-UHFFFAOYSA-N 0 0 247.298 3.089 20 5 BGBDRN CON(CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000286336654 384274398 /nfs/dbraw/zinc/27/43/98/384274398.db2.gz KPRVQASSSCTJPB-UHFFFAOYSA-N 0 0 238.287 3.009 20 5 BGBDRN CC(=O)c1cc(N[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000286421794 166448570 /nfs/dbraw/zinc/44/85/70/166448570.db2.gz PHEMHNRBYQTYTN-GFCCVEGCSA-N 0 0 248.282 3.008 20 5 BGBDRN CC(=O)c1cc(N[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000286421799 384315767 /nfs/dbraw/zinc/31/57/67/384315767.db2.gz PHEMHNRBYQTYTN-LBPRGKRZSA-N 0 0 248.282 3.008 20 5 BGBDRN CON(CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000286504019 174660670 /nfs/dbraw/zinc/66/06/70/174660670.db2.gz WTBRLNSNQXKQAD-UHFFFAOYSA-N 0 0 238.287 3.009 20 5 BGBDRN CC(C)SCCNc1ccc([N+](=O)[O-])cc1 ZINC000286586425 167334752 /nfs/dbraw/zinc/33/47/52/167334752.db2.gz YRMXODKVEFGRPX-UHFFFAOYSA-N 0 0 240.328 3.148 20 5 BGBDRN CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000287160524 384599815 /nfs/dbraw/zinc/59/98/15/384599815.db2.gz YJOWGJSAEBHOOG-MRVPVSSYSA-N 0 0 236.271 3.008 20 5 BGBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000287160528 171349400 /nfs/dbraw/zinc/34/94/00/171349400.db2.gz YJOWGJSAEBHOOG-QMMMGPOBSA-N 0 0 236.271 3.008 20 5 BGBDRN CC(C)=CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000287850497 385242832 /nfs/dbraw/zinc/24/28/32/385242832.db2.gz SAUWPQLRTBCUEV-UHFFFAOYSA-N 0 0 248.282 3.176 20 5 BGBDRN C[C@@H](CF)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288224046 383829709 /nfs/dbraw/zinc/82/97/09/383829709.db2.gz MYQUDVGIGBLCDC-LURJTMIESA-N 0 0 232.642 3.018 20 5 BGBDRN C[C@H](CF)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288224049 383828793 /nfs/dbraw/zinc/82/87/93/383828793.db2.gz MYQUDVGIGBLCDC-ZCFIWIBFSA-N 0 0 232.642 3.018 20 5 BGBDRN C/C=C(/C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000291427804 385874683 /nfs/dbraw/zinc/87/46/83/385874683.db2.gz LKAOBZFZUUHQPN-WTKPLQERSA-N 0 0 248.282 3.062 20 5 BGBDRN O=[N+]([O-])c1ccc(/C=C/SCC2CC2)o1 ZINC000291529802 385886365 /nfs/dbraw/zinc/88/63/65/385886365.db2.gz LDLPOJIUIHPWDN-AATRIKPKSA-N 0 0 225.269 3.302 20 5 BGBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C=C(C)C ZINC000291531002 385886652 /nfs/dbraw/zinc/88/66/52/385886652.db2.gz ZVBXGOCICPPKAX-UHFFFAOYSA-N 0 0 248.282 3.062 20 5 BGBDRN O=[N+]([O-])c1cccc(NCC2CC(F)(F)C2)c1 ZINC000291675709 385911303 /nfs/dbraw/zinc/91/13/03/385911303.db2.gz DUTOEFMDAPSIBP-UHFFFAOYSA-N 0 0 242.225 3.052 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCC1CC(F)(F)C1 ZINC000291798332 385714974 /nfs/dbraw/zinc/71/49/74/385714974.db2.gz JJNZSCTZUUXZHB-UHFFFAOYSA-N 0 0 242.225 3.052 20 5 BGBDRN O=[N+]([O-])c1ccc(NCC2CC(F)(F)C2)cc1 ZINC000291881537 182935441 /nfs/dbraw/zinc/93/54/41/182935441.db2.gz OJPSAMNPMRLTQX-UHFFFAOYSA-N 0 0 242.225 3.052 20 5 BGBDRN O=[N+]([O-])c1c(Cl)cccc1OCCCCF ZINC000292554255 188390946 /nfs/dbraw/zinc/39/09/46/188390946.db2.gz CJSHSOVUUXPHPI-UHFFFAOYSA-N 0 0 247.653 3.377 20 5 BGBDRN C[C@@H](Cn1cnc([N+](=O)[O-])c1)C1CCCCC1 ZINC000292584387 175784429 /nfs/dbraw/zinc/78/44/29/175784429.db2.gz GENYRYYYLBPRGE-JTQLQIEISA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@H](Cn1cnc([N+](=O)[O-])c1)C1CCCCC1 ZINC000292584390 385708839 /nfs/dbraw/zinc/70/88/39/385708839.db2.gz GENYRYYYLBPRGE-SNVBAGLBSA-N 0 0 237.303 3.008 20 5 BGBDRN Cc1nn([C@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000294126653 188213090 /nfs/dbraw/zinc/21/30/90/188213090.db2.gz FEOYTOOINVTFDD-LLVKDONJSA-N 0 0 245.282 3.017 20 5 BGBDRN Cc1nn([C@@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000294126654 187350333 /nfs/dbraw/zinc/35/03/33/187350333.db2.gz FEOYTOOINVTFDD-NSHDSACASA-N 0 0 245.282 3.017 20 5 BGBDRN CC(F)(F)CCNc1ccc([N+](=O)[O-])cc1F ZINC000294158350 386442982 /nfs/dbraw/zinc/44/29/82/386442982.db2.gz IDGJKJBRQHEGQN-UHFFFAOYSA-N 0 0 248.204 3.191 20 5 BGBDRN CC[C@H](c1ccccc1)n1cc([N+](=O)[O-])c(C)n1 ZINC000294160214 171600302 /nfs/dbraw/zinc/60/03/02/171600302.db2.gz IHCZJCPBHVFJMD-GFCCVEGCSA-N 0 0 245.282 3.099 20 5 BGBDRN CC[C@@H](c1ccccc1)n1cc([N+](=O)[O-])c(C)n1 ZINC000294160217 170954983 /nfs/dbraw/zinc/95/49/83/170954983.db2.gz IHCZJCPBHVFJMD-LBPRGKRZSA-N 0 0 245.282 3.099 20 5 BGBDRN CC/C(C)=C/C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000294206433 386475885 /nfs/dbraw/zinc/47/58/85/386475885.db2.gz BYOIYABNTZSNQU-CMDGGOBGSA-N 0 0 248.282 3.198 20 5 BGBDRN CC/C(C)=C/C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294222770 386496751 /nfs/dbraw/zinc/49/67/51/386496751.db2.gz KXXKEUNWEUAAGV-VQHVLOKHSA-N 0 0 248.282 3.198 20 5 BGBDRN Cc1cccc(NCCC(C)(F)F)c1[N+](=O)[O-] ZINC000294281076 179143764 /nfs/dbraw/zinc/14/37/64/179143764.db2.gz SPXVNRHNEGLYOL-UHFFFAOYSA-N 0 0 244.241 3.360 20 5 BGBDRN CC(F)(F)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000294304053 386077977 /nfs/dbraw/zinc/07/79/77/386077977.db2.gz VGTKEAUTXUDXCR-UHFFFAOYSA-N 0 0 248.204 3.191 20 5 BGBDRN CC(F)(F)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000294321856 386132595 /nfs/dbraw/zinc/13/25/95/386132595.db2.gz WUFMWMAUQCWZDY-UHFFFAOYSA-N 0 0 248.204 3.191 20 5 BGBDRN Cc1ccc(NCCC(C)(F)F)c([N+](=O)[O-])c1 ZINC000294326891 187241859 /nfs/dbraw/zinc/24/18/59/187241859.db2.gz XIBVDIINQLCAAA-UHFFFAOYSA-N 0 0 244.241 3.360 20 5 BGBDRN CC(F)(F)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000294833612 386581709 /nfs/dbraw/zinc/58/17/09/386581709.db2.gz AMARZPXWFYMCSX-UHFFFAOYSA-N 0 0 244.241 3.442 20 5 BGBDRN O=[N+]([O-])c1cccc(OCC2CC(F)(F)C2)c1 ZINC000294855775 386653857 /nfs/dbraw/zinc/65/38/57/386653857.db2.gz BQBLSMWJYOQEKD-UHFFFAOYSA-N 0 0 243.209 3.019 20 5 BGBDRN CC/C=C/C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294964735 386782227 /nfs/dbraw/zinc/78/22/27/386782227.db2.gz FDNQZQZKMGSQDK-PJVVBUPDSA-N 0 0 246.310 3.164 20 5 BGBDRN CC/C=C/CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000295004898 167857316 /nfs/dbraw/zinc/85/73/16/167857316.db2.gz ONCAKYPUMDZSJQ-SNAWJCMRSA-N 0 0 248.282 3.176 20 5 BGBDRN O=[N+]([O-])c1ccccc1OCC1CC(F)(F)C1 ZINC000295060584 387105396 /nfs/dbraw/zinc/10/53/96/387105396.db2.gz YRODHEUIHLSZEA-UHFFFAOYSA-N 0 0 243.209 3.019 20 5 BGBDRN Cc1nn([C@@H]2C=CCCCCC2)cc1[N+](=O)[O-] ZINC000295143790 180391828 /nfs/dbraw/zinc/39/18/28/180391828.db2.gz FCTCCWPTXCHMEA-LLVKDONJSA-N 0 0 235.287 3.161 20 5 BGBDRN Cc1nn([C@H]2C=CCCCCC2)cc1[N+](=O)[O-] ZINC000295143792 180393501 /nfs/dbraw/zinc/39/35/01/180393501.db2.gz FCTCCWPTXCHMEA-NSHDSACASA-N 0 0 235.287 3.161 20 5 BGBDRN Cc1nn([C@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000295445035 179323432 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CC(C)CCSc1ccc([N+](=O)[O-])cn1 ZINC000301485072 166890449 /nfs/dbraw/zinc/89/04/49/166890449.db2.gz YXYIMPWTMNMJOW-UHFFFAOYSA-N 0 0 226.301 3.128 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@H]1C ZINC000301487355 179206904 /nfs/dbraw/zinc/20/69/04/179206904.db2.gz IJZDKCDGQUAPRB-GXSJLCMTSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H]1C ZINC000301487356 179205909 /nfs/dbraw/zinc/20/59/09/179205909.db2.gz IJZDKCDGQUAPRB-KOLCDFICSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H]1C ZINC000301487357 179206387 /nfs/dbraw/zinc/20/63/87/179206387.db2.gz IJZDKCDGQUAPRB-MWLCHTKSSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@@H]1C ZINC000301487358 179206330 /nfs/dbraw/zinc/20/63/30/179206330.db2.gz IJZDKCDGQUAPRB-ONGXEEELSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(N2CC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000301494249 178119552 /nfs/dbraw/zinc/11/95/52/178119552.db2.gz ROGKBQCIXJPEQI-GXSJLCMTSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(N2CC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301494250 178118227 /nfs/dbraw/zinc/11/82/27/178118227.db2.gz ROGKBQCIXJPEQI-KOLCDFICSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(N2CC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000301494251 178118276 /nfs/dbraw/zinc/11/82/76/178118276.db2.gz ROGKBQCIXJPEQI-MWLCHTKSSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(N2CC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301494252 178120075 /nfs/dbraw/zinc/12/00/75/178120075.db2.gz ROGKBQCIXJPEQI-ONGXEEELSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@H]1C ZINC000301498118 178271881 /nfs/dbraw/zinc/27/18/81/178271881.db2.gz VJVRJDRADUQGLH-GXSJLCMTSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H]1C ZINC000301498119 178271391 /nfs/dbraw/zinc/27/13/91/178271391.db2.gz VJVRJDRADUQGLH-KOLCDFICSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@H]1C ZINC000301498120 178271213 /nfs/dbraw/zinc/27/12/13/178271213.db2.gz VJVRJDRADUQGLH-MWLCHTKSSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@@H]1C ZINC000301498121 178271057 /nfs/dbraw/zinc/27/10/57/178271057.db2.gz VJVRJDRADUQGLH-ONGXEEELSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc(N2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000301499342 398283030 /nfs/dbraw/zinc/28/30/30/398283030.db2.gz WFRHJRRSNOEZIU-GHMZBOCLSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc(N2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301499343 398282608 /nfs/dbraw/zinc/28/26/08/398282608.db2.gz WFRHJRRSNOEZIU-MNOVXSKESA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc(N2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301499344 398282336 /nfs/dbraw/zinc/28/23/36/398282336.db2.gz WFRHJRRSNOEZIU-QWRGUYRKSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc(N2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000301499568 398282662 /nfs/dbraw/zinc/28/26/62/398282662.db2.gz WFRHJRRSNOEZIU-WDEREUQCSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(NCC2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301503471 178158523 /nfs/dbraw/zinc/15/85/23/178158523.db2.gz FXBOSFYXLLHYIY-UHFFFAOYSA-N 0 0 240.690 3.379 20 5 BGBDRN Cc1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301526597 132254615 /nfs/dbraw/zinc/25/46/15/132254615.db2.gz JFYGGTZSRBVSJQ-LLVKDONJSA-N 0 0 234.299 3.282 20 5 BGBDRN Cc1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301526598 132254603 /nfs/dbraw/zinc/25/46/03/132254603.db2.gz JFYGGTZSRBVSJQ-NSHDSACASA-N 0 0 234.299 3.282 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000301531090 182951096 /nfs/dbraw/zinc/95/10/96/182951096.db2.gz HTFZKQATHTWMCU-RYUDHWBXSA-N 0 0 246.310 3.221 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000301531091 398283492 /nfs/dbraw/zinc/28/34/92/398283492.db2.gz HTFZKQATHTWMCU-TXEJJXNPSA-N 0 0 246.310 3.221 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000301531092 411526391 /nfs/dbraw/zinc/52/63/91/411526391.db2.gz HTFZKQATHTWMCU-VXGBXAGGSA-N 0 0 246.310 3.221 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(C)CC2)c1 ZINC000301537772 132254610 /nfs/dbraw/zinc/25/46/10/132254610.db2.gz ARICVFZBVBNJLP-UHFFFAOYSA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000301538526 171013832 /nfs/dbraw/zinc/01/38/32/171013832.db2.gz AWFXDAHVCBZYEX-LLVKDONJSA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000301538527 411527193 /nfs/dbraw/zinc/52/71/93/411527193.db2.gz AWFXDAHVCBZYEX-NSHDSACASA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000301548411 171014546 /nfs/dbraw/zinc/01/45/46/171014546.db2.gz FTCWWLFVTWGIRL-LLVKDONJSA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000301548412 398284618 /nfs/dbraw/zinc/28/46/18/398284618.db2.gz FTCWWLFVTWGIRL-NSHDSACASA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000301551954 171015054 /nfs/dbraw/zinc/01/50/54/171015054.db2.gz HGGJCQWRZBAZLI-LLVKDONJSA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000301551955 171633185 /nfs/dbraw/zinc/63/31/85/171633185.db2.gz HGGJCQWRZBAZLI-NSHDSACASA-N 0 0 234.299 3.140 20 5 BGBDRN CCN(Cc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000301552712 369118692 /nfs/dbraw/zinc/11/86/92/369118692.db2.gz MRLRCLHKPBZJJK-UHFFFAOYSA-N 0 0 246.266 3.214 20 5 BGBDRN C[C@H](N(C)c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000301557567 388595925 /nfs/dbraw/zinc/59/59/25/388595925.db2.gz JBABPNALAFLOJQ-JTQLQIEISA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H](N(C)c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000301557569 388595942 /nfs/dbraw/zinc/59/59/42/388595942.db2.gz JBABPNALAFLOJQ-SNVBAGLBSA-N 0 0 234.299 3.220 20 5 BGBDRN CN(c1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000301558555 187206539 /nfs/dbraw/zinc/20/65/39/187206539.db2.gz TXFQDXZKLLSGPF-UHFFFAOYSA-N 0 0 240.690 3.237 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC2CCC2)c1 ZINC000301565239 398285249 /nfs/dbraw/zinc/28/52/49/398285249.db2.gz LYGYVKSMKDMSEP-UHFFFAOYSA-N 0 0 234.299 3.140 20 5 BGBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000301567120 398285059 /nfs/dbraw/zinc/28/50/59/398285059.db2.gz QDWPWMHIAVDJCW-RYUDHWBXSA-N 0 0 246.310 3.221 20 5 BGBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000301567121 182934896 /nfs/dbraw/zinc/93/48/96/182934896.db2.gz QDWPWMHIAVDJCW-TXEJJXNPSA-N 0 0 246.310 3.221 20 5 BGBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000301567122 398285418 /nfs/dbraw/zinc/28/54/18/398285418.db2.gz QDWPWMHIAVDJCW-VXGBXAGGSA-N 0 0 246.310 3.221 20 5 BGBDRN CC[C@@H](C)CSc1ncccc1[N+](=O)[O-] ZINC000301571870 388596644 /nfs/dbraw/zinc/59/66/44/388596644.db2.gz ORBCSILOWKBCAY-MRVPVSSYSA-N 0 0 226.301 3.128 20 5 BGBDRN CC[C@H](C)CSc1ncccc1[N+](=O)[O-] ZINC000301571872 171293361 /nfs/dbraw/zinc/29/33/61/171293361.db2.gz ORBCSILOWKBCAY-QMMMGPOBSA-N 0 0 226.301 3.128 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(C)(C)C2)c1 ZINC000301583770 388596514 /nfs/dbraw/zinc/59/65/14/388596514.db2.gz UYPHAPJHZFUQPM-UHFFFAOYSA-N 0 0 234.299 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C)C2)c1 ZINC000301589353 132254947 /nfs/dbraw/zinc/25/49/47/132254947.db2.gz YDFJEMDMCXSXFB-LLVKDONJSA-N 0 0 234.299 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C)C2)c1 ZINC000301589354 132255085 /nfs/dbraw/zinc/25/50/85/132255085.db2.gz YDFJEMDMCXSXFB-NSHDSACASA-N 0 0 234.299 3.140 20 5 BGBDRN CC(C)CC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000301591556 384892492 /nfs/dbraw/zinc/89/24/92/384892492.db2.gz DGKSKAYWGCXNLM-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC[C@H]2C)c1 ZINC000301591783 132255108 /nfs/dbraw/zinc/25/51/08/132255108.db2.gz ZCQYDEMBBAPFQX-LLVKDONJSA-N 0 0 234.299 3.282 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H]2C)c1 ZINC000301591784 132254838 /nfs/dbraw/zinc/25/48/38/132254838.db2.gz ZCQYDEMBBAPFQX-NSHDSACASA-N 0 0 234.299 3.282 20 5 BGBDRN CC[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000301591833 171015086 /nfs/dbraw/zinc/01/50/86/171015086.db2.gz ZGQFPSPOJDLQBX-LLVKDONJSA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000301591834 388596563 /nfs/dbraw/zinc/59/65/63/388596563.db2.gz ZGQFPSPOJDLQBX-NSHDSACASA-N 0 0 234.299 3.140 20 5 BGBDRN CCN(CC1CC1)c1cc(C)ccc1[N+](=O)[O-] ZINC000301592494 388596413 /nfs/dbraw/zinc/59/64/13/388596413.db2.gz ZJQBRCLJWFGGRA-UHFFFAOYSA-N 0 0 234.299 3.140 20 5 BGBDRN Cc1cc(N2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301597941 178120813 /nfs/dbraw/zinc/12/08/13/178120813.db2.gz HAFAEXWODCUDNX-RYUDHWBXSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301597942 178122349 /nfs/dbraw/zinc/12/23/49/178122349.db2.gz HAFAEXWODCUDNX-TXEJJXNPSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cc(N2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301597943 178122536 /nfs/dbraw/zinc/12/25/36/178122536.db2.gz HAFAEXWODCUDNX-VXGBXAGGSA-N 0 0 246.310 3.140 20 5 BGBDRN CN(Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000301607232 172865487 /nfs/dbraw/zinc/86/54/87/172865487.db2.gz XWPMHSMGCFCDQW-UHFFFAOYSA-N 0 0 242.278 3.231 20 5 BGBDRN CC[C@@H](C)CSc1ccc([N+](=O)[O-])cn1 ZINC000301608607 170714169 /nfs/dbraw/zinc/71/41/69/170714169.db2.gz OXXHWWFZGIYTBL-MRVPVSSYSA-N 0 0 226.301 3.128 20 5 BGBDRN CC[C@H](C)CSc1ccc([N+](=O)[O-])cn1 ZINC000301608608 171293648 /nfs/dbraw/zinc/29/36/48/171293648.db2.gz OXXHWWFZGIYTBL-QMMMGPOBSA-N 0 0 226.301 3.128 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C=CCCC2)c1 ZINC000301608884 388599114 /nfs/dbraw/zinc/59/91/14/388599114.db2.gz AHQZMOPZJOALRE-LLVKDONJSA-N 0 0 232.283 3.424 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C=CCCC2)c1 ZINC000301608885 178929790 /nfs/dbraw/zinc/92/97/90/178929790.db2.gz AHQZMOPZJOALRE-NSHDSACASA-N 0 0 232.283 3.424 20 5 BGBDRN Cc1ccc(N[C@@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000301611564 178771930 /nfs/dbraw/zinc/77/19/30/178771930.db2.gz DTNPSHXZYFWZAS-LLVKDONJSA-N 0 0 232.283 3.424 20 5 BGBDRN Cc1ccc(N[C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC000301611565 178777632 /nfs/dbraw/zinc/77/76/32/178777632.db2.gz DTNPSHXZYFWZAS-NSHDSACASA-N 0 0 232.283 3.424 20 5 BGBDRN CC(C)CC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000301612091 388629267 /nfs/dbraw/zinc/62/92/67/388629267.db2.gz RZECFNABOLEQKC-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1N[C@H]1C=CCCC1 ZINC000301612699 388617825 /nfs/dbraw/zinc/61/78/25/388617825.db2.gz GGGLLFRCGIURLR-JTQLQIEISA-N 0 0 236.246 3.255 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1C=CCCC1 ZINC000301612700 398295979 /nfs/dbraw/zinc/29/59/79/398295979.db2.gz GGGLLFRCGIURLR-SNVBAGLBSA-N 0 0 236.246 3.255 20 5 BGBDRN C[C@@H]1CC[C@H](C)N1c1ccc(F)cc1[N+](=O)[O-] ZINC000301613438 177187731 /nfs/dbraw/zinc/18/77/31/177187731.db2.gz HHOQTAJJZPCNSN-DTORHVGOSA-N 0 0 238.262 3.111 20 5 BGBDRN C[C@H]1CC[C@H](C)N1c1ccc(F)cc1[N+](=O)[O-] ZINC000301613439 177199761 /nfs/dbraw/zinc/19/97/61/177199761.db2.gz HHOQTAJJZPCNSN-IUCAKERBSA-N 0 0 238.262 3.111 20 5 BGBDRN C[C@@H]1CC[C@@H](C)N1c1ccc(F)cc1[N+](=O)[O-] ZINC000301613440 176200084 /nfs/dbraw/zinc/20/00/84/176200084.db2.gz HHOQTAJJZPCNSN-RKDXNWHRSA-N 0 0 238.262 3.111 20 5 BGBDRN CCC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000301613964 132255497 /nfs/dbraw/zinc/25/54/97/132255497.db2.gz HOICEEFGRPZZAC-LLVKDONJSA-N 0 0 249.314 3.006 20 5 BGBDRN CCC[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000301613965 535729530 /nfs/dbraw/zinc/72/95/30/535729530.db2.gz HOICEEFGRPZZAC-NSHDSACASA-N 0 0 249.314 3.006 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2[C@H](C)CC[C@H]2C)c1 ZINC000301614163 388601203 /nfs/dbraw/zinc/60/12/03/388601203.db2.gz HUWGVEWNLUNOIJ-GHMZBOCLSA-N 0 0 234.299 3.280 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2[C@H](C)CC[C@@H]2C)c1 ZINC000301614164 388601119 /nfs/dbraw/zinc/60/11/19/388601119.db2.gz HUWGVEWNLUNOIJ-PHIMTYICSA-N 0 0 234.299 3.280 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2[C@@H](C)CC[C@@H]2C)c1 ZINC000301614165 388600358 /nfs/dbraw/zinc/60/03/58/388600358.db2.gz HUWGVEWNLUNOIJ-QWRGUYRKSA-N 0 0 234.299 3.280 20 5 BGBDRN CCCC1(CNc2ncccc2[N+](=O)[O-])CCC1 ZINC000301616319 168601753 /nfs/dbraw/zinc/60/17/53/168601753.db2.gz ACEPRCHYLFIWGB-UHFFFAOYSA-N 0 0 249.314 3.372 20 5 BGBDRN CC[C@@H](C)CSc1cc(C)c([N+](=O)[O-])cn1 ZINC000301618037 388625017 /nfs/dbraw/zinc/62/50/17/388625017.db2.gz WMTZBHWPMNBYLO-MRVPVSSYSA-N 0 0 240.328 3.436 20 5 BGBDRN CC[C@H](C)CSc1cc(C)c([N+](=O)[O-])cn1 ZINC000301618038 171293751 /nfs/dbraw/zinc/29/37/51/171293751.db2.gz WMTZBHWPMNBYLO-QMMMGPOBSA-N 0 0 240.328 3.436 20 5 BGBDRN Cc1cc(N[C@@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000301620630 178181172 /nfs/dbraw/zinc/18/11/72/178181172.db2.gz MQRPUHFDSCQDRP-LLVKDONJSA-N 0 0 232.283 3.424 20 5 BGBDRN Cc1cc(N[C@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000301620631 178187770 /nfs/dbraw/zinc/18/77/70/178187770.db2.gz MQRPUHFDSCQDRP-NSHDSACASA-N 0 0 232.283 3.424 20 5 BGBDRN CC[C@@H](C)CSc1nccc(C)c1[N+](=O)[O-] ZINC000301622349 398297252 /nfs/dbraw/zinc/29/72/52/398297252.db2.gz YLKFQEDYLUOYAE-MRVPVSSYSA-N 0 0 240.328 3.436 20 5 BGBDRN CC[C@H](C)CSc1nccc(C)c1[N+](=O)[O-] ZINC000301622351 171293861 /nfs/dbraw/zinc/29/38/61/171293861.db2.gz YLKFQEDYLUOYAE-QMMMGPOBSA-N 0 0 240.328 3.436 20 5 BGBDRN Cc1ccc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000301622862 388640939 /nfs/dbraw/zinc/64/09/39/388640939.db2.gz FEGFOWAHOJGFMI-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN Cc1ccc(Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000301623658 398297296 /nfs/dbraw/zinc/29/72/96/398297296.db2.gz GHEMWGMAMHMYKK-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2C=CCCC2)c(F)c1 ZINC000301629504 388640924 /nfs/dbraw/zinc/64/09/24/388640924.db2.gz SBFBPWHJRMHTIA-SECBINFHSA-N 0 0 236.246 3.255 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@H]2C=CCCC2)c(F)c1 ZINC000301629505 398297258 /nfs/dbraw/zinc/29/72/58/398297258.db2.gz SBFBPWHJRMHTIA-VIFPVBQESA-N 0 0 236.246 3.255 20 5 BGBDRN Cc1nc(Sc2ccccc2)ccc1[N+](=O)[O-] ZINC000301639531 180032621 /nfs/dbraw/zinc/03/26/21/180032621.db2.gz LRLCBQRKRHDNHJ-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN CCC[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000301639902 132255894 /nfs/dbraw/zinc/25/58/94/132255894.db2.gz YJLTYZRJLYFYBX-LLVKDONJSA-N 0 0 249.314 3.006 20 5 BGBDRN 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0 234.299 3.077 20 5 BGBDRN CC[C@@H](C)CSc1ncc([N+](=O)[O-])cc1C ZINC000301948251 388717151 /nfs/dbraw/zinc/71/71/51/388717151.db2.gz DYVOMERYBJTORM-MRVPVSSYSA-N 0 0 240.328 3.436 20 5 BGBDRN CC[C@H](C)CSc1ncc([N+](=O)[O-])cc1C ZINC000301948253 171293576 /nfs/dbraw/zinc/29/35/76/171293576.db2.gz DYVOMERYBJTORM-QMMMGPOBSA-N 0 0 240.328 3.436 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1SCCC(C)C ZINC000301955206 178275403 /nfs/dbraw/zinc/27/54/03/178275403.db2.gz LCVHVLKZCWTUTF-UHFFFAOYSA-N 0 0 240.328 3.436 20 5 BGBDRN CCN(CC1CC1)c1ccc([N+](=O)[O-])c(C)c1 ZINC000301958256 169811522 /nfs/dbraw/zinc/81/15/22/169811522.db2.gz OGGZCPNDJCVVEH-UHFFFAOYSA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@H](C)N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000301961946 171309300 /nfs/dbraw/zinc/30/93/00/171309300.db2.gz RGAJSSIYCUHLLO-JTQLQIEISA-N 0 0 222.288 3.138 20 5 BGBDRN CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000301961947 388721616 /nfs/dbraw/zinc/72/16/16/388721616.db2.gz RGAJSSIYCUHLLO-SNVBAGLBSA-N 0 0 222.288 3.138 20 5 BGBDRN CCCCCNc1sccc1[N+](=O)[O-] ZINC000301974474 168723300 /nfs/dbraw/zinc/72/33/00/168723300.db2.gz AUHZKGAYNMXRQB-UHFFFAOYSA-N 0 0 214.290 3.258 20 5 BGBDRN CN(CC(C)(C)C)c1sccc1[N+](=O)[O-] ZINC000301974794 172625293 /nfs/dbraw/zinc/62/52/93/172625293.db2.gz BCQSFQLCQQVXGS-UHFFFAOYSA-N 0 0 228.317 3.139 20 5 BGBDRN O=[N+]([O-])c1ccsc1NC[C@@H]1CC=CCC1 ZINC000301975201 398311906 /nfs/dbraw/zinc/31/19/06/398311906.db2.gz BLFZZPJIYFRHQQ-SECBINFHSA-N 0 0 238.312 3.425 20 5 BGBDRN O=[N+]([O-])c1ccsc1NC[C@H]1CC=CCC1 ZINC000301975202 398311921 /nfs/dbraw/zinc/31/19/21/398311921.db2.gz BLFZZPJIYFRHQQ-VIFPVBQESA-N 0 0 238.312 3.425 20 5 BGBDRN CN(c1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000301978454 398311982 /nfs/dbraw/zinc/31/19/82/398311982.db2.gz GRFYLHKMDYPBEV-UHFFFAOYSA-N 0 0 246.310 3.220 20 5 BGBDRN CN(CC1CCCC1)c1sccc1[N+](=O)[O-] ZINC000301981893 388725790 /nfs/dbraw/zinc/72/57/90/388725790.db2.gz HOTKPEJEAFLIDQ-UHFFFAOYSA-N 0 0 240.328 3.283 20 5 BGBDRN CSC(C)(C)CNc1sccc1[N+](=O)[O-] ZINC000301982520 388726150 /nfs/dbraw/zinc/72/61/50/388726150.db2.gz BNQUNCXJBWUUQL-UHFFFAOYSA-N 0 0 246.357 3.210 20 5 BGBDRN O=[N+]([O-])c1ccsc1NCCC1CCC1 ZINC000301983127 388724703 /nfs/dbraw/zinc/72/47/03/388724703.db2.gz BTAJSUGMONBUNI-UHFFFAOYSA-N 0 0 226.301 3.258 20 5 BGBDRN C[C@@H]1CCCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000301985890 176062946 /nfs/dbraw/zinc/06/29/46/176062946.db2.gz LXNJJKYFCFKGJH-LLVKDONJSA-N 0 0 234.299 3.364 20 5 BGBDRN C[C@H]1CCCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000301985891 177069921 /nfs/dbraw/zinc/06/99/21/177069921.db2.gz LXNJJKYFCFKGJH-NSHDSACASA-N 0 0 234.299 3.364 20 5 BGBDRN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000301987230 132259389 /nfs/dbraw/zinc/25/93/89/132259389.db2.gz KSIGNTFZPDLZKX-GHMZBOCLSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000301987231 132259333 /nfs/dbraw/zinc/25/93/33/132259333.db2.gz KSIGNTFZPDLZKX-MNOVXSKESA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000301987232 132259464 /nfs/dbraw/zinc/25/94/64/132259464.db2.gz KSIGNTFZPDLZKX-QWRGUYRKSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H]1[C@@H](C)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000301987233 132259289 /nfs/dbraw/zinc/25/92/89/132259289.db2.gz KSIGNTFZPDLZKX-WDEREUQCSA-N 0 0 234.299 3.220 20 5 BGBDRN CCCN(CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000301988614 169108723 /nfs/dbraw/zinc/10/87/23/169108723.db2.gz NTOXXWILZDJQAE-UHFFFAOYSA-N 0 0 244.241 3.076 20 5 BGBDRN O=[N+]([O-])c1ccsc1Sc1ccncc1 ZINC000301990182 182956223 /nfs/dbraw/zinc/95/62/23/182956223.db2.gz FMZUPBJFZKVMQQ-UHFFFAOYSA-N 0 0 238.293 3.203 20 5 BGBDRN Cc1ccc(Oc2sccc2[N+](=O)[O-])cn1 ZINC000301990916 388728908 /nfs/dbraw/zinc/72/89/08/388728908.db2.gz MVMWQLSYGKMMSB-UHFFFAOYSA-N 0 0 236.252 3.152 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000301991373 132259329 /nfs/dbraw/zinc/25/93/29/132259329.db2.gz NHQTZAUVGPPROG-BXUZGUMPSA-N 0 0 246.310 3.364 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000301991374 132259414 /nfs/dbraw/zinc/25/94/14/132259414.db2.gz NHQTZAUVGPPROG-SMDDNHRTSA-N 0 0 246.310 3.364 20 5 BGBDRN CCC1(CNc2sccc2[N+](=O)[O-])CC1 ZINC000301993069 168484389 /nfs/dbraw/zinc/48/43/89/168484389.db2.gz GQBVLWCNQDYXKD-UHFFFAOYSA-N 0 0 226.301 3.258 20 5 BGBDRN O=[N+]([O-])c1ccsc1NC(C1CC1)C1CC1 ZINC000301993484 384950013 /nfs/dbraw/zinc/95/00/13/384950013.db2.gz OHFZJFBVWISQNK-UHFFFAOYSA-N 0 0 238.312 3.257 20 5 BGBDRN C[C@@H]1CC[C@@H](C)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301999384 132259304 /nfs/dbraw/zinc/25/93/04/132259304.db2.gz QYBADZNBSMTCOL-GHMZBOCLSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H]1CC[C@H](C)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301999385 132259456 /nfs/dbraw/zinc/25/94/56/132259456.db2.gz QYBADZNBSMTCOL-MNOVXSKESA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@H]1CC[C@H](C)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301999386 132259505 /nfs/dbraw/zinc/25/95/05/132259505.db2.gz QYBADZNBSMTCOL-QWRGUYRKSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H]1CC[C@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000301999387 132259498 /nfs/dbraw/zinc/25/94/98/132259498.db2.gz QYBADZNBSMTCOL-WDEREUQCSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H]1CCC[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000302001196 176151630 /nfs/dbraw/zinc/15/16/30/176151630.db2.gz RTXOSYUPVVNMRH-HTQZYQBOSA-N 0 0 226.301 3.257 20 5 BGBDRN C[C@H]1CCC[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000302001197 177143037 /nfs/dbraw/zinc/14/30/37/177143037.db2.gz RTXOSYUPVVNMRH-JGVFFNPUSA-N 0 0 226.301 3.257 20 5 BGBDRN C[C@@H]1CCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000302001198 176133193 /nfs/dbraw/zinc/13/31/93/176133193.db2.gz RTXOSYUPVVNMRH-SFYZADRCSA-N 0 0 226.301 3.257 20 5 BGBDRN C[C@H]1CCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000302001199 177127564 /nfs/dbraw/zinc/12/75/64/177127564.db2.gz RTXOSYUPVVNMRH-YUMQZZPRSA-N 0 0 226.301 3.257 20 5 BGBDRN O=Cc1cccc(Oc2sccc2[N+](=O)[O-])c1 ZINC000302004995 388835928 /nfs/dbraw/zinc/83/59/28/388835928.db2.gz UGGFBFJXKMKKHO-UHFFFAOYSA-N 0 0 249.247 3.261 20 5 BGBDRN CC(C)CCN(C)c1sccc1[N+](=O)[O-] ZINC000302005977 385865811 /nfs/dbraw/zinc/86/58/11/385865811.db2.gz VFJDPMDGGIWVHV-UHFFFAOYSA-N 0 0 228.317 3.139 20 5 BGBDRN CCCN(c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000302009597 169182249 /nfs/dbraw/zinc/18/22/49/169182249.db2.gz BXRONCCEVSWGDA-UHFFFAOYSA-N 0 0 234.299 3.282 20 5 BGBDRN CCCN(c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000302019816 169182832 /nfs/dbraw/zinc/18/28/32/169182832.db2.gz HFQWRNACVRYGPA-UHFFFAOYSA-N 0 0 238.262 3.113 20 5 BGBDRN O=[N+]([O-])c1ccsc1N1CCC2(CCC2)C1 ZINC000302022077 388835320 /nfs/dbraw/zinc/83/53/20/388835320.db2.gz OIOJZDMHCKCBPF-UHFFFAOYSA-N 0 0 238.312 3.037 20 5 BGBDRN CCCN(c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000302031583 169182187 /nfs/dbraw/zinc/18/21/87/169182187.db2.gz NMSYAXBRCBWSOK-UHFFFAOYSA-N 0 0 238.262 3.113 20 5 BGBDRN CSCCCCNc1sccc1[N+](=O)[O-] ZINC000302037887 175476984 /nfs/dbraw/zinc/47/69/84/175476984.db2.gz VKJKYTFQWOMYAJ-UHFFFAOYSA-N 0 0 246.357 3.211 20 5 BGBDRN O=[N+]([O-])c1ccsc1N[C@@H]1C=CCCC1 ZINC000302047091 388837392 /nfs/dbraw/zinc/83/73/92/388837392.db2.gz YPIKOUWYMJWPSE-MRVPVSSYSA-N 0 0 224.285 3.177 20 5 BGBDRN O=[N+]([O-])c1ccsc1N[C@H]1C=CCCC1 ZINC000302047092 182956634 /nfs/dbraw/zinc/95/66/34/182956634.db2.gz YPIKOUWYMJWPSE-QMMMGPOBSA-N 0 0 224.285 3.177 20 5 BGBDRN CC[C@@H](C)CN(C)c1sccc1[N+](=O)[O-] ZINC000302050125 170700673 /nfs/dbraw/zinc/70/06/73/170700673.db2.gz ZWJAWSTUHVTHJH-MRVPVSSYSA-N 0 0 228.317 3.139 20 5 BGBDRN CC[C@H](C)CN(C)c1sccc1[N+](=O)[O-] ZINC000302050126 171276102 /nfs/dbraw/zinc/27/61/02/171276102.db2.gz ZWJAWSTUHVTHJH-QMMMGPOBSA-N 0 0 228.317 3.139 20 5 BGBDRN CCC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000302121462 535411387 /nfs/dbraw/zinc/41/13/87/535411387.db2.gz GFKZTLQRMHMEBT-LLVKDONJSA-N 0 0 249.314 3.149 20 5 BGBDRN CCC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000302121463 132260786 /nfs/dbraw/zinc/26/07/86/132260786.db2.gz GFKZTLQRMHMEBT-NSHDSACASA-N 0 0 249.314 3.149 20 5 BGBDRN CCC[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000302160151 535411544 /nfs/dbraw/zinc/41/15/44/535411544.db2.gz XYQPPZDZKLZVDR-LLVKDONJSA-N 0 0 249.314 3.149 20 5 BGBDRN CCC[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000302160152 132261185 /nfs/dbraw/zinc/26/11/85/132261185.db2.gz XYQPPZDZKLZVDR-NSHDSACASA-N 0 0 249.314 3.149 20 5 BGBDRN Cc1cc(N[C@@H](C)CCC2CC2)ncc1[N+](=O)[O-] ZINC000302210530 191119613 /nfs/dbraw/zinc/11/96/13/191119613.db2.gz CNLVHQFVGLNCGW-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cc(N[C@H](C)CCC2CC2)ncc1[N+](=O)[O-] ZINC000302210532 178185317 /nfs/dbraw/zinc/18/53/17/178185317.db2.gz CNLVHQFVGLNCGW-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN CCSCCSc1ccc([N+](=O)[O-])cc1 ZINC000302215425 388841019 /nfs/dbraw/zinc/84/10/19/388841019.db2.gz IXPMEZGJXWYHGY-UHFFFAOYSA-N 0 0 243.353 3.440 20 5 BGBDRN CCSCCSc1ccccc1[N+](=O)[O-] ZINC000302216965 386914435 /nfs/dbraw/zinc/91/44/35/386914435.db2.gz JWYZOKQLVZBYLS-UHFFFAOYSA-N 0 0 243.353 3.440 20 5 BGBDRN Cc1ccc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000302227954 132262253 /nfs/dbraw/zinc/26/22/53/132262253.db2.gz AHGKDEKJSLPCPI-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN Cc1nc(N[C@H](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000302228377 180024410 /nfs/dbraw/zinc/02/44/10/180024410.db2.gz VPHQQSIVWRUAOO-SECBINFHSA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1nc(N[C@@H](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000302228778 180021861 /nfs/dbraw/zinc/02/18/61/180021861.db2.gz VPHQQSIVWRUAOO-VIFPVBQESA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CCCC2(CC2)C1 ZINC000302235743 132224569 /nfs/dbraw/zinc/22/45/69/132224569.db2.gz FOMWLZVDBLLGBB-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN Cc1cc(N2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000302239744 132224550 /nfs/dbraw/zinc/22/45/50/132224550.db2.gz HMBPWMAUTKTPAX-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CCCC2(CC2)C1 ZINC000302246213 132262401 /nfs/dbraw/zinc/26/24/01/132262401.db2.gz KQCNEUUQEQTYTA-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN CC[C@@H]1[C@H](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000302333723 171160622 /nfs/dbraw/zinc/16/06/22/171160622.db2.gz AJBTVMPLFFSDHF-GHMZBOCLSA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@H]1[C@H](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000302333725 171688997 /nfs/dbraw/zinc/68/89/97/171688997.db2.gz AJBTVMPLFFSDHF-MNOVXSKESA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@H]1[C@@H](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000302333726 388842936 /nfs/dbraw/zinc/84/29/36/388842936.db2.gz AJBTVMPLFFSDHF-QWRGUYRKSA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@@H]1[C@@H](C)CCN1c1ccccc1[N+](=O)[O-] ZINC000302333728 171157613 /nfs/dbraw/zinc/15/76/13/171157613.db2.gz AJBTVMPLFFSDHF-WDEREUQCSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H]1CCCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000302335145 176065715 /nfs/dbraw/zinc/06/57/15/176065715.db2.gz AQLSUMNNBOLGFQ-LLVKDONJSA-N 0 0 234.299 3.221 20 5 BGBDRN C[C@H]1CCCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000302335146 177071350 /nfs/dbraw/zinc/07/13/50/177071350.db2.gz AQLSUMNNBOLGFQ-NSHDSACASA-N 0 0 234.299 3.221 20 5 BGBDRN C[C@@H]1CCCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000302406296 176065162 /nfs/dbraw/zinc/06/51/62/176065162.db2.gz LXHKSGFIKDSZOD-LLVKDONJSA-N 0 0 234.299 3.221 20 5 BGBDRN C[C@H]1CCCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000302406297 177071264 /nfs/dbraw/zinc/07/12/64/177071264.db2.gz LXHKSGFIKDSZOD-NSHDSACASA-N 0 0 234.299 3.221 20 5 BGBDRN CC[C@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000302412701 388843772 /nfs/dbraw/zinc/84/37/72/388843772.db2.gz MXWNBTUJZOWMMC-GWCFXTLKSA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000302412702 171158490 /nfs/dbraw/zinc/15/84/90/171158490.db2.gz MXWNBTUJZOWMMC-GXFFZTMASA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@H]1[C@H](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000302412703 388844910 /nfs/dbraw/zinc/84/49/10/388844910.db2.gz MXWNBTUJZOWMMC-MFKMUULPSA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@@H]1[C@H](C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000302412704 171161427 /nfs/dbraw/zinc/16/14/27/171161427.db2.gz MXWNBTUJZOWMMC-ZWNOBZJWSA-N 0 0 234.299 3.220 20 5 BGBDRN CC(C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 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CC[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000302489669 171633434 /nfs/dbraw/zinc/63/34/34/171633434.db2.gz JOAMCAPVOAQQHL-NSHDSACASA-N 0 0 234.299 3.140 20 5 BGBDRN Cc1cccc(N2CC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000302491993 179123842 /nfs/dbraw/zinc/12/38/42/179123842.db2.gz KLVIGZSPJYCDTL-GXSJLCMTSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cccc(N2CC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000302491994 179121936 /nfs/dbraw/zinc/12/19/36/179121936.db2.gz KLVIGZSPJYCDTL-KOLCDFICSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cccc(N2CC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000302491995 179122642 /nfs/dbraw/zinc/12/26/42/179122642.db2.gz KLVIGZSPJYCDTL-MWLCHTKSSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cccc(N2CC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000302491996 179123350 /nfs/dbraw/zinc/12/33/50/179123350.db2.gz KLVIGZSPJYCDTL-ONGXEEELSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cccc(N(C)CCC2CC2)c1[N+](=O)[O-] ZINC000302492674 179116663 /nfs/dbraw/zinc/11/66/63/179116663.db2.gz KROJETNNOPAHJC-UHFFFAOYSA-N 0 0 234.299 3.140 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/nfs/dbraw/zinc/15/62/11/178156211.db2.gz YSFVYSZPQYZCDY-UHFFFAOYSA-N 0 0 238.262 3.254 20 5 BGBDRN CC[C@@H](F)CNc1cccc([N+](=O)[O-])c1C ZINC000336748017 398196550 /nfs/dbraw/zinc/19/65/50/398196550.db2.gz XRXNKDSIQGBWEJ-SECBINFHSA-N 0 0 226.251 3.063 20 5 BGBDRN CC[C@H](F)CNc1cccc([N+](=O)[O-])c1C ZINC000336748018 384266292 /nfs/dbraw/zinc/26/62/92/384266292.db2.gz XRXNKDSIQGBWEJ-VIFPVBQESA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1ccoc1CNc1cccc(C)c1[N+](=O)[O-] ZINC000336786188 384276866 /nfs/dbraw/zinc/27/68/66/384276866.db2.gz BGVQDEXPNXEWQH-UHFFFAOYSA-N 0 0 246.266 3.417 20 5 BGBDRN Cc1ccoc1CNc1c(C)cccc1[N+](=O)[O-] ZINC000336793945 179530107 /nfs/dbraw/zinc/53/01/07/179530107.db2.gz ZCHNUTWSSZEUPR-UHFFFAOYSA-N 0 0 246.266 3.417 20 5 BGBDRN CC(C)(CCNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000336889289 188256729 /nfs/dbraw/zinc/25/67/29/188256729.db2.gz LPYAEFZOVFMBJF-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2C)n1 ZINC000336933038 383974794 /nfs/dbraw/zinc/97/47/94/383974794.db2.gz RCFOXINKAVMPKW-GZMMTYOYSA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@H]2C)n1 ZINC000336933040 177877052 /nfs/dbraw/zinc/87/70/52/177877052.db2.gz RCFOXINKAVMPKW-KCJUWKMLSA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2C)n1 ZINC000336933042 385285498 /nfs/dbraw/zinc/28/54/98/385285498.db2.gz RCFOXINKAVMPKW-KWQFWETISA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2C)n1 ZINC000336933044 385285564 /nfs/dbraw/zinc/28/55/64/385285564.db2.gz RCFOXINKAVMPKW-LDYMZIIASA-N 0 0 249.314 3.207 20 5 BGBDRN CSCCCSc1cccc([N+](=O)[O-])c1 ZINC000337741532 384680432 /nfs/dbraw/zinc/68/04/32/384680432.db2.gz DFBQDOMGDHKRMW-UHFFFAOYSA-N 0 0 243.353 3.440 20 5 BGBDRN O=[N+]([O-])c1cccc(SCCC2CC2)c1 ZINC000337746059 384757440 /nfs/dbraw/zinc/75/74/40/384757440.db2.gz GHLFQTGKFUHPPJ-UHFFFAOYSA-N 0 0 223.297 3.487 20 5 BGBDRN CC(C)OCCSc1cccc([N+](=O)[O-])c1 ZINC000337750206 167251607 /nfs/dbraw/zinc/25/16/07/167251607.db2.gz IPJCOFDTHGTBJI-UHFFFAOYSA-N 0 0 241.312 3.112 20 5 BGBDRN O=[N+]([O-])c1cccc(SCc2ccccn2)c1 ZINC000337756084 188187775 /nfs/dbraw/zinc/18/77/75/188187775.db2.gz LRNMBPDOXNURKA-UHFFFAOYSA-N 0 0 246.291 3.282 20 5 BGBDRN CC[C@@H](F)CSc1cccc([N+](=O)[O-])c1 ZINC000337761671 384897796 /nfs/dbraw/zinc/89/77/96/384897796.db2.gz PLMYMVAGZAKLLV-MRVPVSSYSA-N 0 0 229.276 3.435 20 5 BGBDRN CC[C@H](F)CSc1cccc([N+](=O)[O-])c1 ZINC000337761673 384898393 /nfs/dbraw/zinc/89/83/93/384898393.db2.gz PLMYMVAGZAKLLV-QMMMGPOBSA-N 0 0 229.276 3.435 20 5 BGBDRN O=[N+]([O-])c1cccc(SCc2cccnc2)c1 ZINC000337762840 191139262 /nfs/dbraw/zinc/13/92/62/191139262.db2.gz QFYVREWIWPIMOM-UHFFFAOYSA-N 0 0 246.291 3.282 20 5 BGBDRN O=[N+]([O-])c1cccc(SCc2ccncc2)c1 ZINC000337763271 188364340 /nfs/dbraw/zinc/36/43/40/188364340.db2.gz QNPHVATWHBRTNZ-UHFFFAOYSA-N 0 0 246.291 3.282 20 5 BGBDRN O=[N+]([O-])c1cccc(SCC2CCC2)c1 ZINC000337767352 188363503 /nfs/dbraw/zinc/36/35/03/188363503.db2.gz UCCRSWPTXUAJBW-UHFFFAOYSA-N 0 0 223.297 3.487 20 5 BGBDRN COCCCCSc1cccc([N+](=O)[O-])c1 ZINC000337769276 174208367 /nfs/dbraw/zinc/20/83/67/174208367.db2.gz UQTXRRZZMNYQQR-UHFFFAOYSA-N 0 0 241.312 3.114 20 5 BGBDRN CCOCCCSc1cccc([N+](=O)[O-])c1 ZINC000337915636 170384576 /nfs/dbraw/zinc/38/45/76/170384576.db2.gz PHNSZLRTPLVNLJ-UHFFFAOYSA-N 0 0 241.312 3.114 20 5 BGBDRN COCC[C@@H](C)Sc1cccc([N+](=O)[O-])c1 ZINC000337918162 174388473 /nfs/dbraw/zinc/38/84/73/174388473.db2.gz UTXGEQCYJCXGEI-SECBINFHSA-N 0 0 241.312 3.112 20 5 BGBDRN COCC[C@H](C)Sc1cccc([N+](=O)[O-])c1 ZINC000337918164 384057566 /nfs/dbraw/zinc/05/75/66/384057566.db2.gz UTXGEQCYJCXGEI-VIFPVBQESA-N 0 0 241.312 3.112 20 5 BGBDRN O=[N+]([O-])c1cccc(SCCCF)c1 ZINC000337937047 384126001 /nfs/dbraw/zinc/12/60/01/384126001.db2.gz NELMUNIEPDIMGT-UHFFFAOYSA-N 0 0 215.249 3.047 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(C)c1NCC1CCC1 ZINC000338111454 178927434 /nfs/dbraw/zinc/92/74/34/178927434.db2.gz UKZVXFKLNJYLRW-UHFFFAOYSA-N 0 0 234.299 3.424 20 5 BGBDRN Cc1cc(N(C)Cc2ccoc2)ccc1[N+](=O)[O-] ZINC000338281093 188188076 /nfs/dbraw/zinc/18/80/76/188188076.db2.gz NEPFYTMLMYOXNH-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN C[C@@H]1CCC[C@H](CCn2nccc2[N+](=O)[O-])C1 ZINC000338412134 176137904 /nfs/dbraw/zinc/13/79/04/176137904.db2.gz YKOAFYQMVXAYHP-GHMZBOCLSA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@@H]1CCC[C@@H](CCn2nccc2[N+](=O)[O-])C1 ZINC000338412147 176117804 /nfs/dbraw/zinc/11/78/04/176117804.db2.gz YKOAFYQMVXAYHP-MNOVXSKESA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@H]1CCC[C@@H](CCn2nccc2[N+](=O)[O-])C1 ZINC000338412157 177119302 /nfs/dbraw/zinc/11/93/02/177119302.db2.gz YKOAFYQMVXAYHP-QWRGUYRKSA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@H]1CCC[C@H](CCn2nccc2[N+](=O)[O-])C1 ZINC000338412167 177133332 /nfs/dbraw/zinc/13/33/32/177133332.db2.gz YKOAFYQMVXAYHP-WDEREUQCSA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@@H]1CCC[C@H](CCn2cnc([N+](=O)[O-])c2)C1 ZINC000338413878 176137847 /nfs/dbraw/zinc/13/78/47/176137847.db2.gz YNPLRZKFYJGDPQ-GHMZBOCLSA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@@H]1CCC[C@@H](CCn2cnc([N+](=O)[O-])c2)C1 ZINC000338413881 176117606 /nfs/dbraw/zinc/11/76/06/176117606.db2.gz YNPLRZKFYJGDPQ-MNOVXSKESA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@H]1CCC[C@@H](CCn2cnc([N+](=O)[O-])c2)C1 ZINC000338413884 177118932 /nfs/dbraw/zinc/11/89/32/177118932.db2.gz YNPLRZKFYJGDPQ-QWRGUYRKSA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@H]1CCC[C@H](CCn2cnc([N+](=O)[O-])c2)C1 ZINC000338413888 177133519 /nfs/dbraw/zinc/13/35/19/177133519.db2.gz YNPLRZKFYJGDPQ-WDEREUQCSA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@@H](Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000338542900 175778951 /nfs/dbraw/zinc/77/89/51/175778951.db2.gz TXETZODTMKCIIF-JTQLQIEISA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@H](Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000338542901 385253577 /nfs/dbraw/zinc/25/35/77/385253577.db2.gz TXETZODTMKCIIF-SNVBAGLBSA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@@H]1CC[C@H](Sc2ncccc2[N+](=O)[O-])C1 ZINC000338547211 176235602 /nfs/dbraw/zinc/23/56/02/176235602.db2.gz TUYBFKHTTGCCSI-BDAKNGLRSA-N 0 0 238.312 3.271 20 5 BGBDRN C[C@H]1CC[C@@H](Sc2ncccc2[N+](=O)[O-])C1 ZINC000338547212 177194613 /nfs/dbraw/zinc/19/46/13/177194613.db2.gz TUYBFKHTTGCCSI-DTWKUNHWSA-N 0 0 238.312 3.271 20 5 BGBDRN C[C@H]1CC[C@H](Sc2ncccc2[N+](=O)[O-])C1 ZINC000338547213 177206028 /nfs/dbraw/zinc/20/60/28/177206028.db2.gz TUYBFKHTTGCCSI-IUCAKERBSA-N 0 0 238.312 3.271 20 5 BGBDRN C[C@@H]1CC[C@@H](Sc2ncccc2[N+](=O)[O-])C1 ZINC000338547214 176214972 /nfs/dbraw/zinc/21/49/72/176214972.db2.gz TUYBFKHTTGCCSI-RKDXNWHRSA-N 0 0 238.312 3.271 20 5 BGBDRN C[C@@H]1CC[C@@H](Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000338557614 176215087 /nfs/dbraw/zinc/21/50/87/176215087.db2.gz NZQABYKTCBWJPR-PSASIEDQSA-N 0 0 238.312 3.271 20 5 BGBDRN C[C@@H]1CC[C@H](Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000338557617 176235444 /nfs/dbraw/zinc/23/54/44/176235444.db2.gz NZQABYKTCBWJPR-SCZZXKLOSA-N 0 0 238.312 3.271 20 5 BGBDRN C[C@H]1CC[C@@H](Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000338557619 177194588 /nfs/dbraw/zinc/19/45/88/177194588.db2.gz NZQABYKTCBWJPR-WCBMZHEXSA-N 0 0 238.312 3.271 20 5 BGBDRN C[C@H]1CC[C@H](Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000338557621 177205903 /nfs/dbraw/zinc/20/59/03/177205903.db2.gz NZQABYKTCBWJPR-WPRPVWTQSA-N 0 0 238.312 3.271 20 5 BGBDRN CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338630126 170171780 /nfs/dbraw/zinc/17/17/80/170171780.db2.gz FHFYFHMSJQCXLN-UHFFFAOYSA-N 0 0 248.204 3.354 20 5 BGBDRN Cc1cccc(N(C)Cc2ccoc2)c1[N+](=O)[O-] ZINC000338654938 179118263 /nfs/dbraw/zinc/11/82/63/179118263.db2.gz HPDAOEUJCLUQBU-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN Cc1cccc(N[C@H](C)c2ccon2)c1[N+](=O)[O-] ZINC000338696167 179156366 /nfs/dbraw/zinc/15/63/66/179156366.db2.gz WVPYYWNBKMZWGZ-SECBINFHSA-N 0 0 247.254 3.064 20 5 BGBDRN Cc1cccc(N[C@@H](C)c2ccon2)c1[N+](=O)[O-] ZINC000338696169 179153863 /nfs/dbraw/zinc/15/38/63/179153863.db2.gz WVPYYWNBKMZWGZ-VIFPVBQESA-N 0 0 247.254 3.064 20 5 BGBDRN Cc1nc(Sc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000338733791 180033508 /nfs/dbraw/zinc/03/35/08/180033508.db2.gz MKIZZOUNDBVFAS-UHFFFAOYSA-N 0 0 249.295 3.086 20 5 BGBDRN Cc1nc(Sc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000338735118 180032552 /nfs/dbraw/zinc/03/25/52/180032552.db2.gz VVPWPIIZUUEWLK-UHFFFAOYSA-N 0 0 249.295 3.086 20 5 BGBDRN CC(C)(C)C1CC(Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338736615 385276159 /nfs/dbraw/zinc/27/61/59/385276159.db2.gz MDSPZHFGFCBPNO-UHFFFAOYSA-N 0 0 249.314 3.226 20 5 BGBDRN CC(C)(C)C1CC(Nc2ncccc2[N+](=O)[O-])C1 ZINC000338736854 385275598 /nfs/dbraw/zinc/27/55/98/385275598.db2.gz NUIVXDSCHBQAHQ-UHFFFAOYSA-N 0 0 249.314 3.226 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)F)c1 ZINC000338743757 178928724 /nfs/dbraw/zinc/92/87/24/178928724.db2.gz AAWWJGHTDYCTRN-SECBINFHSA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)F)c1 ZINC000338743758 385276022 /nfs/dbraw/zinc/27/60/22/385276022.db2.gz AAWWJGHTDYCTRN-VIFPVBQESA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1cccc(NCC[C@@H](C)F)c1[N+](=O)[O-] ZINC000338743806 188257705 /nfs/dbraw/zinc/25/77/05/188257705.db2.gz ASKDSPBTCMDLGD-SECBINFHSA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1cccc(NCC[C@H](C)F)c1[N+](=O)[O-] ZINC000338743808 385276804 /nfs/dbraw/zinc/27/68/04/385276804.db2.gz ASKDSPBTCMDLGD-VIFPVBQESA-N 0 0 226.251 3.063 20 5 BGBDRN C[C@@H](F)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338747641 384940370 /nfs/dbraw/zinc/94/03/70/384940370.db2.gz DNEKGFZNPIYPHK-SSDOTTSWSA-N 0 0 246.669 3.408 20 5 BGBDRN C[C@H](F)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338747642 385274832 /nfs/dbraw/zinc/27/48/32/385274832.db2.gz DNEKGFZNPIYPHK-ZETCQYMHSA-N 0 0 246.669 3.408 20 5 BGBDRN Cc1cc(NCC[C@@H](C)F)ccc1[N+](=O)[O-] ZINC000338749358 178161716 /nfs/dbraw/zinc/16/17/16/178161716.db2.gz HZNQRFSSAQDMKV-SECBINFHSA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1cc(NCC[C@H](C)F)ccc1[N+](=O)[O-] ZINC000338749359 178163415 /nfs/dbraw/zinc/16/34/15/178163415.db2.gz HZNQRFSSAQDMKV-VIFPVBQESA-N 0 0 226.251 3.063 20 5 BGBDRN C[C@@H](F)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000338749525 385274054 /nfs/dbraw/zinc/27/40/54/385274054.db2.gz IVCKMXDABKHABZ-SSDOTTSWSA-N 0 0 246.669 3.408 20 5 BGBDRN C[C@H](F)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000338749530 383826901 /nfs/dbraw/zinc/82/69/01/383826901.db2.gz IVCKMXDABKHABZ-ZETCQYMHSA-N 0 0 246.669 3.408 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)F ZINC000338750339 178273212 /nfs/dbraw/zinc/27/32/12/178273212.db2.gz KPAGURNZNQUCIE-SECBINFHSA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NCC[C@H](C)F ZINC000338750340 178272681 /nfs/dbraw/zinc/27/26/81/178272681.db2.gz KPAGURNZNQUCIE-VIFPVBQESA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1ccc(NCC[C@@H](C)F)c([N+](=O)[O-])c1 ZINC000338750350 178757896 /nfs/dbraw/zinc/75/78/96/178757896.db2.gz KWZONZKVKCEMPC-SECBINFHSA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1ccc(NCC[C@H](C)F)c([N+](=O)[O-])c1 ZINC000338750351 385277358 /nfs/dbraw/zinc/27/73/58/385277358.db2.gz KWZONZKVKCEMPC-VIFPVBQESA-N 0 0 226.251 3.063 20 5 BGBDRN C[C@H](F)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000338750388 383827027 /nfs/dbraw/zinc/82/70/27/383827027.db2.gz LZFJDVWLOGXKBV-LURJTMIESA-N 0 0 248.204 3.033 20 5 BGBDRN C[C@@H](F)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000338750889 175790759 /nfs/dbraw/zinc/79/07/59/175790759.db2.gz LZFJDVWLOGXKBV-ZCFIWIBFSA-N 0 0 248.204 3.033 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NCC[C@@H](C)F ZINC000338754269 179206535 /nfs/dbraw/zinc/20/65/35/179206535.db2.gz XHXQYMDKERAWHS-SECBINFHSA-N 0 0 226.251 3.063 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NCC[C@H](C)F ZINC000338754271 179207019 /nfs/dbraw/zinc/20/70/19/179207019.db2.gz XHXQYMDKERAWHS-VIFPVBQESA-N 0 0 226.251 3.063 20 5 BGBDRN C[C@@H](F)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000338754405 175790642 /nfs/dbraw/zinc/79/06/42/175790642.db2.gz LKNZBZGLXIHXNP-SSDOTTSWSA-N 0 0 246.669 3.408 20 5 BGBDRN C[C@H](F)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000338754407 383827016 /nfs/dbraw/zinc/82/70/16/383827016.db2.gz LKNZBZGLXIHXNP-ZETCQYMHSA-N 0 0 246.669 3.408 20 5 BGBDRN Cc1cc(NCC[C@@H](C)F)c(F)cc1[N+](=O)[O-] ZINC000338756075 178162171 /nfs/dbraw/zinc/16/21/71/178162171.db2.gz QEPQUWARIJWXCP-MRVPVSSYSA-N 0 0 244.241 3.202 20 5 BGBDRN Cc1cc(NCC[C@H](C)F)c(F)cc1[N+](=O)[O-] ZINC000338756076 178162759 /nfs/dbraw/zinc/16/27/59/178162759.db2.gz QEPQUWARIJWXCP-QMMMGPOBSA-N 0 0 244.241 3.202 20 5 BGBDRN CC1(C)CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000338808293 344578734 /nfs/dbraw/zinc/57/87/34/344578734.db2.gz IVYWLZGWQXCYFT-JTQLQIEISA-N 0 0 249.314 3.228 20 5 BGBDRN CC1(C)CCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000338808295 344579060 /nfs/dbraw/zinc/57/90/60/344579060.db2.gz IVYWLZGWQXCYFT-SNVBAGLBSA-N 0 0 249.314 3.228 20 5 BGBDRN CC1(C)CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000338811525 344578228 /nfs/dbraw/zinc/57/82/28/344578228.db2.gz PJOQCHPPRKMWQN-JTQLQIEISA-N 0 0 249.314 3.228 20 5 BGBDRN CC1(C)CCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000338811526 344578034 /nfs/dbraw/zinc/57/80/34/344578034.db2.gz PJOQCHPPRKMWQN-SNVBAGLBSA-N 0 0 249.314 3.228 20 5 BGBDRN Cc1cnccc1Sc1ccccc1[N+](=O)[O-] ZINC000338846508 179712637 /nfs/dbraw/zinc/71/26/37/179712637.db2.gz JZKFVRGLTVTFJC-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN Cc1cnccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000338847204 383834768 /nfs/dbraw/zinc/83/47/68/383834768.db2.gz QPINSQBYFJNNQJ-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N(C)Cc1ccoc1 ZINC000338914754 179207018 /nfs/dbraw/zinc/20/70/18/179207018.db2.gz CFIRNOHRHQXZSX-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN CC(C)c1ccc(CN2CC(C)C2)cc1[N+](=O)[O-] ZINC000338955125 168190477 /nfs/dbraw/zinc/19/04/77/168190477.db2.gz DMOXOZYBXRLILY-UHFFFAOYSA-N 0 0 248.326 3.170 20 5 BGBDRN CCN(CC(C)C)c1ccccc1[N+](=O)[O-] ZINC000339035124 386216949 /nfs/dbraw/zinc/21/69/49/386216949.db2.gz VDAGPDDATTWKPE-UHFFFAOYSA-N 0 0 222.288 3.077 20 5 BGBDRN Cc1ccc(OCC2CCC2)cc1[N+](=O)[O-] ZINC000339182085 383906682 /nfs/dbraw/zinc/90/66/82/383906682.db2.gz SKTYFJWPYHCQAK-UHFFFAOYSA-N 0 0 221.256 3.082 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1OCC1CCC1 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385316812 /nfs/dbraw/zinc/31/68/12/385316812.db2.gz HCVQKFJQFLJXGS-UHFFFAOYSA-N 0 0 238.262 3.289 20 5 BGBDRN CCC(CC)N(CC)c1ncccc1[N+](=O)[O-] ZINC000341035443 168371422 /nfs/dbraw/zinc/37/14/22/168371422.db2.gz JUNRGDDEQDHFGA-UHFFFAOYSA-N 0 0 237.303 3.005 20 5 BGBDRN CCC(CC)N(CC)c1ncc([N+](=O)[O-])s1 ZINC000341048444 168372204 /nfs/dbraw/zinc/37/22/04/168372204.db2.gz TYWVFPAJVINKDE-UHFFFAOYSA-N 0 0 243.332 3.066 20 5 BGBDRN CCC(CC)N(CC)c1ccc([N+](=O)[O-])cn1 ZINC000341054257 168372951 /nfs/dbraw/zinc/37/29/51/168372951.db2.gz XSIMIVXXQHMIAR-UHFFFAOYSA-N 0 0 237.303 3.005 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC1 ZINC000341351207 385502618 /nfs/dbraw/zinc/50/26/18/385502618.db2.gz FLTVAYRLCDUCBV-UHFFFAOYSA-N 0 0 247.081 3.112 20 5 BGBDRN CC/C=C\CCOc1ncc(C)cc1[N+](=O)[O-] ZINC000341600331 348710337 /nfs/dbraw/zinc/71/03/37/348710337.db2.gz BHGDYJXRYPGAPH-PLNGDYQASA-N 0 0 236.271 3.033 20 5 BGBDRN CC/C=C\CCSc1ccc([N+](=O)[O-])cn1 ZINC000341616494 348867375 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CC(=O)c1cc(N[C@H]2CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343800951 135697513 /nfs/dbraw/zinc/69/75/13/135697513.db2.gz CPDMLRKJVZKWNI-UFBFGSQYSA-N 0 0 248.282 3.008 20 5 BGBDRN CC(=O)c1ccc(N[C@@H]2CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343808854 350991497 /nfs/dbraw/zinc/99/14/97/350991497.db2.gz NJDSCTZSVOMUPR-GZMMTYOYSA-N 0 0 248.282 3.008 20 5 BGBDRN CC(=O)c1ccc(N[C@H]2CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000343808855 350991919 /nfs/dbraw/zinc/99/19/19/350991919.db2.gz NJDSCTZSVOMUPR-KCJUWKMLSA-N 0 0 248.282 3.008 20 5 BGBDRN CC(=O)c1ccc(N[C@H]2CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343808856 350991742 /nfs/dbraw/zinc/99/17/42/350991742.db2.gz NJDSCTZSVOMUPR-KWQFWETISA-N 0 0 248.282 3.008 20 5 BGBDRN CC(=O)c1ccc(N[C@@H]2CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000343808857 350991849 /nfs/dbraw/zinc/99/18/49/350991849.db2.gz NJDSCTZSVOMUPR-LDYMZIIASA-N 0 0 248.282 3.008 20 5 BGBDRN CC(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000344436712 351128961 /nfs/dbraw/zinc/12/89/61/351128961.db2.gz PZCVQCUJUJYAGP-LLVKDONJSA-N 0 0 249.314 3.005 20 5 BGBDRN CC(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000344436715 351128759 /nfs/dbraw/zinc/12/87/59/351128759.db2.gz PZCVQCUJUJYAGP-NSHDSACASA-N 0 0 249.314 3.005 20 5 BGBDRN CCC(CC)Sc1ccc([N+](=O)[O-])nc1 ZINC000344440074 351127260 /nfs/dbraw/zinc/12/72/60/351127260.db2.gz OPRVAUQGYPAQBH-UHFFFAOYSA-N 0 0 226.301 3.271 20 5 BGBDRN CC(C)CCN(c1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000344443245 535384996 /nfs/dbraw/zinc/38/49/96/535384996.db2.gz SUCNNENYTUPYHB-UHFFFAOYSA-N 0 0 249.314 3.005 20 5 BGBDRN Cc1cnc(N[C@@H](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000346188628 323892055 /nfs/dbraw/zinc/89/20/55/323892055.db2.gz SLZITCPQVYLUIZ-JTQLQIEISA-N 0 0 249.314 3.289 20 5 BGBDRN Cc1cnc(N[C@H](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000346188629 387043090 /nfs/dbraw/zinc/04/30/90/387043090.db2.gz SLZITCPQVYLUIZ-SNVBAGLBSA-N 0 0 249.314 3.289 20 5 BGBDRN CCC1(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000347187603 387521221 /nfs/dbraw/zinc/52/12/21/387521221.db2.gz PIGPKRRBGKLVMU-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN CC(C)C[C@H](C)COc1cccnc1[N+](=O)[O-] ZINC000347628128 359008810 /nfs/dbraw/zinc/00/88/10/359008810.db2.gz HQIOHFIIPRUACJ-JTQLQIEISA-N 0 0 238.287 3.051 20 5 BGBDRN CC(C)C[C@@H](C)COc1cccnc1[N+](=O)[O-] ZINC000347628130 359008794 /nfs/dbraw/zinc/00/87/94/359008794.db2.gz HQIOHFIIPRUACJ-SNVBAGLBSA-N 0 0 238.287 3.051 20 5 BGBDRN CC(C)(C)CCCOc1cccnc1[N+](=O)[O-] ZINC000347629425 359008803 /nfs/dbraw/zinc/00/88/03/359008803.db2.gz KJYCREKXFSXGPU-UHFFFAOYSA-N 0 0 238.287 3.195 20 5 BGBDRN CCCC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000348396882 136076124 /nfs/dbraw/zinc/07/61/24/136076124.db2.gz FYZSXGUECCTDJK-UHFFFAOYSA-N 0 0 248.282 3.114 20 5 BGBDRN CCCC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348405035 136077222 /nfs/dbraw/zinc/07/72/22/136077222.db2.gz SPPWMUPIVZVWRZ-UHFFFAOYSA-N 0 0 248.282 3.114 20 5 BGBDRN C/C=C\CSCCc1ccc([N+](=O)[O-])cc1 ZINC000349055054 367130766 /nfs/dbraw/zinc/13/07/66/367130766.db2.gz HLRSUDKOJUTYKK-IHWYPQMZSA-N 0 0 237.324 3.447 20 5 BGBDRN CCCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349141484 136324304 /nfs/dbraw/zinc/32/43/04/136324304.db2.gz DNSNRMSKJIUDER-UHFFFAOYSA-N 0 0 245.282 3.258 20 5 BGBDRN CC[C@@H](C)CSc1ccncc1[N+](=O)[O-] ZINC000349180870 136330849 /nfs/dbraw/zinc/33/08/49/136330849.db2.gz YYHREUGKHZFBAN-MRVPVSSYSA-N 0 0 226.301 3.128 20 5 BGBDRN CC[C@H](C)CSc1ccncc1[N+](=O)[O-] ZINC000349180872 536132600 /nfs/dbraw/zinc/13/26/00/536132600.db2.gz YYHREUGKHZFBAN-QMMMGPOBSA-N 0 0 226.301 3.128 20 5 BGBDRN C[C@@H](F)CCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000349230704 355371287 /nfs/dbraw/zinc/37/12/87/355371287.db2.gz BDMULNUEKQHWNK-SSDOTTSWSA-N 0 0 247.653 3.375 20 5 BGBDRN C[C@H](F)CCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000349230705 368142061 /nfs/dbraw/zinc/14/20/61/368142061.db2.gz BDMULNUEKQHWNK-ZETCQYMHSA-N 0 0 247.653 3.375 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCCCCF ZINC000349730392 370402050 /nfs/dbraw/zinc/40/20/50/370402050.db2.gz QQBPKXLEGFGWBV-UHFFFAOYSA-N 0 0 240.278 3.373 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(C)c1NCCCCF ZINC000349767391 133908282 /nfs/dbraw/zinc/90/82/82/133908282.db2.gz HYDAACSVIUJAJC-UHFFFAOYSA-N 0 0 240.278 3.373 20 5 BGBDRN O=[N+]([O-])c1cccc(SCCCCF)c1 ZINC000349815673 370508666 /nfs/dbraw/zinc/50/86/66/370508666.db2.gz DLAYPKVFDLWGAV-UHFFFAOYSA-N 0 0 229.276 3.437 20 5 BGBDRN C[C@@H](F)CCSc1cccc([N+](=O)[O-])c1 ZINC000349815902 133913478 /nfs/dbraw/zinc/91/34/78/133913478.db2.gz HMECRWYGFHOOJI-MRVPVSSYSA-N 0 0 229.276 3.435 20 5 BGBDRN C[C@H](F)CCSc1cccc([N+](=O)[O-])c1 ZINC000349815903 370508698 /nfs/dbraw/zinc/50/86/98/370508698.db2.gz HMECRWYGFHOOJI-QMMMGPOBSA-N 0 0 229.276 3.435 20 5 BGBDRN CC(C)CCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000349916431 370663432 /nfs/dbraw/zinc/66/34/32/370663432.db2.gz RPCQKTYDVVYDJS-UHFFFAOYSA-N 0 0 244.678 3.068 20 5 BGBDRN CC[C@@H](C)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349922188 133926343 /nfs/dbraw/zinc/92/63/43/133926343.db2.gz WIEISOPEUQUHOS-SSDOTTSWSA-N 0 0 244.678 3.068 20 5 BGBDRN CC[C@H](C)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349922189 133926163 /nfs/dbraw/zinc/92/61/63/133926163.db2.gz WIEISOPEUQUHOS-ZETCQYMHSA-N 0 0 244.678 3.068 20 5 BGBDRN CC/C(C)=C/c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351145739 371610556 /nfs/dbraw/zinc/61/05/56/371610556.db2.gz KKBIHGPSCZVOPM-VOTSOKGWSA-N 0 0 249.226 3.051 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC3(CC3)C2)c1 ZINC000351541122 371642824 /nfs/dbraw/zinc/64/28/24/371642824.db2.gz CQFJEXKTKSAEQK-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN CC(=O)c1ccc(NCC2(C)CC2)c([N+](=O)[O-])c1 ZINC000351859138 534868210 /nfs/dbraw/zinc/86/82/10/534868210.db2.gz FPOQHXZYRSODBM-UHFFFAOYSA-N 0 0 248.282 3.009 20 5 BGBDRN CCOc1ccc([N+](=O)[O-])cc1NCC(C)C ZINC000352015143 134035638 /nfs/dbraw/zinc/03/56/38/134035638.db2.gz WDAPWQRVRFSMSK-UHFFFAOYSA-N 0 0 238.287 3.061 20 5 BGBDRN COc1cc(CSC(C)C)ccc1[N+](=O)[O-] ZINC000352034636 536818128 /nfs/dbraw/zinc/81/81/28/536818128.db2.gz FSDOUMRRHFHBSS-UHFFFAOYSA-N 0 0 241.312 3.245 20 5 BGBDRN CCCSCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352035246 134045058 /nfs/dbraw/zinc/04/50/58/134045058.db2.gz NZSRDZSEZGITJI-UHFFFAOYSA-N 0 0 241.312 3.247 20 5 BGBDRN Cc1ccc(N[C@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000353262740 388369349 /nfs/dbraw/zinc/36/93/49/388369349.db2.gz ISXMYLHSWBOVLU-SECBINFHSA-N 0 0 247.254 3.064 20 5 BGBDRN Cc1ccc(N[C@@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000353262741 388370157 /nfs/dbraw/zinc/37/01/57/388370157.db2.gz ISXMYLHSWBOVLU-VIFPVBQESA-N 0 0 247.254 3.064 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccon2)c1 ZINC000353282321 387170410 /nfs/dbraw/zinc/17/04/10/387170410.db2.gz NUBGEBHUVZBWBB-SECBINFHSA-N 0 0 247.254 3.064 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccon2)c1 ZINC000353282323 388369656 /nfs/dbraw/zinc/36/96/56/388369656.db2.gz NUBGEBHUVZBWBB-VIFPVBQESA-N 0 0 247.254 3.064 20 5 BGBDRN C[C@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000353460476 177070150 /nfs/dbraw/zinc/07/01/50/177070150.db2.gz CCBQZYCZNUBUHG-LBPRGKRZSA-N 0 0 248.326 3.359 20 5 BGBDRN C[C@H]1CCCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000353469509 177069985 /nfs/dbraw/zinc/06/99/85/177069985.db2.gz FVJUNUCAZTXPRH-LBPRGKRZSA-N 0 0 248.326 3.359 20 5 BGBDRN C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000353490962 177070435 /nfs/dbraw/zinc/07/04/35/177070435.db2.gz ICRLLVZKKOXAGE-LBPRGKRZSA-N 0 0 248.326 3.359 20 5 BGBDRN CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000353879512 371963653 /nfs/dbraw/zinc/96/36/53/371963653.db2.gz OJKAAMSDCJFKIT-UHFFFAOYSA-N 0 0 240.328 3.031 20 5 BGBDRN CC(C)[C@H](C)N(C)c1ccccc1[N+](=O)[O-] ZINC000354050030 398321604 /nfs/dbraw/zinc/32/16/04/398321604.db2.gz WNFPPRMDRMDECC-JTQLQIEISA-N 0 0 222.288 3.076 20 5 BGBDRN CC(C)[C@@H](C)N(C)c1ccccc1[N+](=O)[O-] ZINC000354050031 167370669 /nfs/dbraw/zinc/37/06/69/167370669.db2.gz WNFPPRMDRMDECC-SNVBAGLBSA-N 0 0 222.288 3.076 20 5 BGBDRN C/C(=C/c1csc([N+](=O)[O-])c1)c1cnccn1 ZINC000354321640 188061841 /nfs/dbraw/zinc/06/18/41/188061841.db2.gz HUYUYKLJABLYIS-YWEYNIOJSA-N 0 0 247.279 3.007 20 5 BGBDRN CC[C@@H](C)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000354534101 388379848 /nfs/dbraw/zinc/37/98/48/388379848.db2.gz GBTLTWUGHZJLJQ-MRVPVSSYSA-N 0 0 238.287 3.032 20 5 BGBDRN CC[C@H](C)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000354534102 171291749 /nfs/dbraw/zinc/29/17/49/171291749.db2.gz GBTLTWUGHZJLJQ-QMMMGPOBSA-N 0 0 238.287 3.032 20 5 BGBDRN CCN(CCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000354561044 388381142 /nfs/dbraw/zinc/38/11/42/388381142.db2.gz FQSWQWIYVMLNHE-UHFFFAOYSA-N 0 0 234.299 3.221 20 5 BGBDRN CC[C@@H](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000354931527 387448792 /nfs/dbraw/zinc/44/87/92/387448792.db2.gz ROJBZCKOQWCHPN-SECBINFHSA-N 0 0 247.298 3.299 20 5 BGBDRN CC[C@H](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000354931528 171300714 /nfs/dbraw/zinc/30/07/14/171300714.db2.gz ROJBZCKOQWCHPN-VIFPVBQESA-N 0 0 247.298 3.299 20 5 BGBDRN CC[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000355032636 388384768 /nfs/dbraw/zinc/38/47/68/388384768.db2.gz CEFOCEOTIBDULG-UHFFFAOYSA-N 0 0 248.326 3.217 20 5 BGBDRN C[C@H](CNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000355729786 176686620 /nfs/dbraw/zinc/68/66/20/176686620.db2.gz GGIFWJCJSIKBSS-SSDOTTSWSA-N 0 0 248.204 3.205 20 5 BGBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000355729790 385821335 /nfs/dbraw/zinc/82/13/35/385821335.db2.gz GGIFWJCJSIKBSS-ZETCQYMHSA-N 0 0 248.204 3.205 20 5 BGBDRN C[C@H](CNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000355739758 397967059 /nfs/dbraw/zinc/96/70/59/397967059.db2.gz JAMILBIUZOLTMP-SSDOTTSWSA-N 0 0 248.204 3.205 20 5 BGBDRN C[C@@H](CNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000355739761 385826753 /nfs/dbraw/zinc/82/67/53/385826753.db2.gz JAMILBIUZOLTMP-ZETCQYMHSA-N 0 0 248.204 3.205 20 5 BGBDRN Cc1ccc(-c2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000355953579 134176206 /nfs/dbraw/zinc/17/62/06/134176206.db2.gz APHFBKLXBIDOFV-UHFFFAOYSA-N 0 0 247.254 3.077 20 5 BGBDRN Cc1cnc([C@@H](C)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000356037686 351565563 /nfs/dbraw/zinc/56/55/63/351565563.db2.gz RSMHYVPQGTWTEF-SECBINFHSA-N 0 0 248.238 3.031 20 5 BGBDRN Cc1cnc([C@H](C)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000356037689 351565444 /nfs/dbraw/zinc/56/54/44/351565444.db2.gz RSMHYVPQGTWTEF-VIFPVBQESA-N 0 0 248.238 3.031 20 5 BGBDRN Cc1cc(N2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000356746451 178113467 /nfs/dbraw/zinc/11/34/67/178113467.db2.gz QYFRELCRJGWYKT-UHFFFAOYSA-N 0 0 232.283 3.036 20 5 BGBDRN CCCCN(c1cc(C)c([N+](=O)[O-])cn1)C1CC1 ZINC000356766525 398177991 /nfs/dbraw/zinc/17/79/91/398177991.db2.gz KVYMWEAUXREZIJ-UHFFFAOYSA-N 0 0 249.314 3.067 20 5 BGBDRN CCCCN(c1ccc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000356767800 398177715 /nfs/dbraw/zinc/17/77/15/398177715.db2.gz SMBRDQGCJDZMTM-UHFFFAOYSA-N 0 0 249.314 3.067 20 5 BGBDRN CCCCN(c1ncc(C)cc1[N+](=O)[O-])C1CC1 ZINC000356777926 386751828 /nfs/dbraw/zinc/75/18/28/386751828.db2.gz RVVFOWQYLOLSIW-UHFFFAOYSA-N 0 0 249.314 3.067 20 5 BGBDRN C[C@@H](C1CCC1)N(C)c1ccccc1[N+](=O)[O-] ZINC000356788835 388390509 /nfs/dbraw/zinc/39/05/09/388390509.db2.gz DRBOOBRYMFTVAQ-JTQLQIEISA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@H](C1CCC1)N(C)c1ccccc1[N+](=O)[O-] ZINC000356788836 176594961 /nfs/dbraw/zinc/59/49/61/176594961.db2.gz DRBOOBRYMFTVAQ-SNVBAGLBSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@H](C1CCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000357042631 388391420 /nfs/dbraw/zinc/39/14/20/388391420.db2.gz QNLNBQOGCGXTSD-LLVKDONJSA-N 0 0 248.326 3.215 20 5 BGBDRN C[C@@H](C1CCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000357042634 388391181 /nfs/dbraw/zinc/39/11/81/388391181.db2.gz QNLNBQOGCGXTSD-NSHDSACASA-N 0 0 248.326 3.215 20 5 BGBDRN CCc1ccc([N+](=O)[O-])cc1NCCCCF ZINC000357285072 388392429 /nfs/dbraw/zinc/39/24/29/388392429.db2.gz QCWQZHYZUTZQHI-UHFFFAOYSA-N 0 0 240.278 3.319 20 5 BGBDRN CC(F)(F)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000357761263 384685928 /nfs/dbraw/zinc/68/59/28/384685928.db2.gz MKXPUTQUUYCZEG-UHFFFAOYSA-N 0 0 248.204 3.191 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NCCC(C)(F)F ZINC000357763168 178272354 /nfs/dbraw/zinc/27/23/54/178272354.db2.gz OZGYXGPGIIRVDU-UHFFFAOYSA-N 0 0 244.241 3.360 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NCCC(C)(F)F ZINC000357766008 179206148 /nfs/dbraw/zinc/20/61/48/179206148.db2.gz UDLNTSRCKDHMEO-UHFFFAOYSA-N 0 0 244.241 3.360 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCCC(C)(F)F)c1 ZINC000357766022 388395214 /nfs/dbraw/zinc/39/52/14/388395214.db2.gz UENJETLLAJUFCZ-UHFFFAOYSA-N 0 0 244.241 3.360 20 5 BGBDRN Cc1cc(NCCC(C)(F)F)ccc1[N+](=O)[O-] ZINC000357767408 178158096 /nfs/dbraw/zinc/15/80/96/178158096.db2.gz VZXJGICWZKFXCZ-UHFFFAOYSA-N 0 0 244.241 3.360 20 5 BGBDRN CC(F)(F)CCNc1ccccc1[N+](=O)[O-] ZINC000357767489 386754523 /nfs/dbraw/zinc/75/45/23/386754523.db2.gz WIIGLDVXNOWRTN-UHFFFAOYSA-N 0 0 230.214 3.052 20 5 BGBDRN CC(F)(F)CCNc1ccc([N+](=O)[O-])cc1 ZINC000357767583 386753636 /nfs/dbraw/zinc/75/36/36/386753636.db2.gz WXLRSEGJDHKQBN-UHFFFAOYSA-N 0 0 230.214 3.052 20 5 BGBDRN CCCC[C@H](C)N(C)c1ncccc1[N+](=O)[O-] ZINC000357780698 168989722 /nfs/dbraw/zinc/98/97/22/168989722.db2.gz JPDNHZZTGBEGSS-JTQLQIEISA-N 0 0 237.303 3.005 20 5 BGBDRN CCCC[C@@H](C)N(C)c1ncccc1[N+](=O)[O-] ZINC000357780699 168947267 /nfs/dbraw/zinc/94/72/67/168947267.db2.gz JPDNHZZTGBEGSS-SNVBAGLBSA-N 0 0 237.303 3.005 20 5 BGBDRN CCCC[C@@H](C)N(C)c1ncc([N+](=O)[O-])s1 ZINC000357781348 354383473 /nfs/dbraw/zinc/38/34/73/354383473.db2.gz LCMUPGACSCCYTL-MRVPVSSYSA-N 0 0 243.332 3.066 20 5 BGBDRN CCCC[C@H](C)N(C)c1ncc([N+](=O)[O-])s1 ZINC000357781356 354383194 /nfs/dbraw/zinc/38/31/94/354383194.db2.gz LCMUPGACSCCYTL-QMMMGPOBSA-N 0 0 243.332 3.066 20 5 BGBDRN CC(C)=CCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000357862891 188271761 /nfs/dbraw/zinc/27/17/61/188271761.db2.gz RBGOSCLSLFJICZ-UHFFFAOYSA-N 0 0 235.287 3.066 20 5 BGBDRN CC(C)c1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000357885487 388396019 /nfs/dbraw/zinc/39/60/19/388396019.db2.gz AGWQPFQNXCBVKO-UHFFFAOYSA-N 0 0 237.284 3.170 20 5 BGBDRN CC(C)[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000358634835 384329184 /nfs/dbraw/zinc/32/91/84/384329184.db2.gz MONFEHFMXNMMCI-LLVKDONJSA-N 0 0 234.299 3.220 20 5 BGBDRN Cc1cc(OCC2CCC2)c(F)cc1[N+](=O)[O-] ZINC000358643468 178209680 /nfs/dbraw/zinc/20/96/80/178209680.db2.gz BSSPCXQEQRCVRH-UHFFFAOYSA-N 0 0 239.246 3.221 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(O[C@@H]2C=CCCC2)n1 ZINC000358830990 177876952 /nfs/dbraw/zinc/87/69/52/177876952.db2.gz OSZFADGGZCZYHT-LLVKDONJSA-N 0 0 248.282 3.094 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(O[C@H]2C=CCCC2)n1 ZINC000358830992 384342294 /nfs/dbraw/zinc/34/22/94/384342294.db2.gz OSZFADGGZCZYHT-NSHDSACASA-N 0 0 248.282 3.094 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C=CCCC2)n1 ZINC000359079040 384376232 /nfs/dbraw/zinc/37/62/32/384376232.db2.gz ATPMOJQWAPEQCK-LLVKDONJSA-N 0 0 247.298 3.127 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C=CCCC2)n1 ZINC000359079041 177877166 /nfs/dbraw/zinc/87/71/66/177877166.db2.gz ATPMOJQWAPEQCK-NSHDSACASA-N 0 0 247.298 3.127 20 5 BGBDRN CCC1(CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359079545 384376041 /nfs/dbraw/zinc/37/60/41/384376041.db2.gz BWBPJJVGLZGKON-UHFFFAOYSA-N 0 0 249.314 3.209 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC(C)(C)C)n1 ZINC000359079549 387053047 /nfs/dbraw/zinc/05/30/47/387053047.db2.gz BYCGLBSZJAJNDW-UHFFFAOYSA-N 0 0 237.303 3.065 20 5 BGBDRN CCC(CC)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359080360 168395302 /nfs/dbraw/zinc/39/53/02/168395302.db2.gz FIYLEDUSPBHQRU-UHFFFAOYSA-N 0 0 237.303 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2(C)CCCC2)n1 ZINC000359081125 384376499 /nfs/dbraw/zinc/37/64/99/384376499.db2.gz IDWGMSMGRGZMQT-UHFFFAOYSA-N 0 0 249.314 3.351 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NCCC(C)C)n1 ZINC000359082138 384376099 /nfs/dbraw/zinc/37/60/99/384376099.db2.gz KWVYJEQHEXZNOW-UHFFFAOYSA-N 0 0 237.303 3.065 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC2(C)CCC2)n1 ZINC000359082195 177875940 /nfs/dbraw/zinc/87/59/40/177875940.db2.gz LJOSGGMJBRYMJW-UHFFFAOYSA-N 0 0 249.314 3.209 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC2CCCC2)n1 ZINC000359083733 177876290 /nfs/dbraw/zinc/87/62/90/177876290.db2.gz PKZCZIPLOQEYGH-UHFFFAOYSA-N 0 0 249.314 3.209 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC2(C)C)n1 ZINC000359091723 384377911 /nfs/dbraw/zinc/37/79/11/384377911.db2.gz FKPROQCEYPUIPJ-JTQLQIEISA-N 0 0 249.314 3.065 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC2(C)C)n1 ZINC000359091725 384377402 /nfs/dbraw/zinc/37/74/02/384377402.db2.gz FKPROQCEYPUIPJ-SNVBAGLBSA-N 0 0 249.314 3.065 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)CC2CC2)n1 ZINC000359105027 177877010 /nfs/dbraw/zinc/87/70/10/177877010.db2.gz WJJLWKXHVFDMGM-JTQLQIEISA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)CC2CC2)n1 ZINC000359105030 384375799 /nfs/dbraw/zinc/37/57/99/384375799.db2.gz WJJLWKXHVFDMGM-SNVBAGLBSA-N 0 0 249.314 3.207 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1CSCC1CC1 ZINC000359153798 182944921 /nfs/dbraw/zinc/94/49/21/182944921.db2.gz GSRSCUWJRXNIGN-UHFFFAOYSA-N 0 0 241.287 3.377 20 5 BGBDRN O=[N+]([O-])c1ccc(CSCC2CC2)c(F)c1 ZINC000359162092 384379289 /nfs/dbraw/zinc/37/92/89/384379289.db2.gz MZIPNKGIIPYLSM-UHFFFAOYSA-N 0 0 241.287 3.377 20 5 BGBDRN O=[N+]([O-])c1cc(CSCC2CC2)cs1 ZINC000359175192 384379007 /nfs/dbraw/zinc/37/90/07/384379007.db2.gz JPZWOLHTLLTNOL-UHFFFAOYSA-N 0 0 229.326 3.300 20 5 BGBDRN O=[N+]([O-])c1c[nH]c(-c2csc(C3CCC3)n2)c1 ZINC000359316981 487786983 /nfs/dbraw/zinc/78/69/83/487786983.db2.gz GGCSVYMFDBATJL-UHFFFAOYSA-N 0 0 249.295 3.314 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCCC2(CCC2)C1 ZINC000359742630 132277662 /nfs/dbraw/zinc/27/76/62/132277662.db2.gz XFXZLNODYBYERT-UHFFFAOYSA-N 0 0 246.310 3.365 20 5 BGBDRN O=[N+]([O-])c1ccc(NCC2(C(F)F)CC2)cc1 ZINC000359817541 384441237 /nfs/dbraw/zinc/44/12/37/384441237.db2.gz MKZSSLXQCWFBQZ-UHFFFAOYSA-N 0 0 242.225 3.052 20 5 BGBDRN CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000359838193 170172057 /nfs/dbraw/zinc/17/20/57/170172057.db2.gz IWYFERDCWREEBM-UHFFFAOYSA-N 0 0 248.204 3.354 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NCCC2(C)CC2)n1 ZINC000359844792 177876694 /nfs/dbraw/zinc/87/66/94/177876694.db2.gz YZNJKBNYUUKXCA-UHFFFAOYSA-N 0 0 249.314 3.209 20 5 BGBDRN CC1(CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000359844826 168022549 /nfs/dbraw/zinc/02/25/49/168022549.db2.gz KXSWLMLRNRFITQ-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1ccccc1NCC1(C(F)F)CC1 ZINC000359845096 384447898 /nfs/dbraw/zinc/44/78/98/384447898.db2.gz LIKVCRHBVJCXJR-UHFFFAOYSA-N 0 0 242.225 3.052 20 5 BGBDRN CC1(CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000359848066 168021361 /nfs/dbraw/zinc/02/13/61/168021361.db2.gz RZLZFWZAVALIHF-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCC(C)(C)C1 ZINC000360053448 384565492 /nfs/dbraw/zinc/56/54/92/384565492.db2.gz KPPSBFPSLJSIPY-JTQLQIEISA-N 0 0 249.314 3.005 20 5 BGBDRN CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC(C)(C)C1 ZINC000360053449 384565076 /nfs/dbraw/zinc/56/50/76/384565076.db2.gz KPPSBFPSLJSIPY-SNVBAGLBSA-N 0 0 249.314 3.005 20 5 BGBDRN CN(c1ncccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000360053478 384565190 /nfs/dbraw/zinc/56/51/90/384565190.db2.gz KUTBZGHKJUTGBV-JTQLQIEISA-N 0 0 249.314 3.005 20 5 BGBDRN CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000360053480 384565329 /nfs/dbraw/zinc/56/53/29/384565329.db2.gz KUTBZGHKJUTGBV-SNVBAGLBSA-N 0 0 249.314 3.005 20 5 BGBDRN CCN(CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000360059235 169813629 /nfs/dbraw/zinc/81/36/29/169813629.db2.gz ZNZSTZHXJNCOKM-UHFFFAOYSA-N 0 0 234.299 3.221 20 5 BGBDRN Cc1cc(N(C)C2CCC2)c(F)cc1[N+](=O)[O-] ZINC000360070383 178097365 /nfs/dbraw/zinc/09/73/65/178097365.db2.gz HOODDVUDOWNTRE-UHFFFAOYSA-N 0 0 238.262 3.031 20 5 BGBDRN Cc1cc(N2CCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360091263 178116380 /nfs/dbraw/zinc/11/63/80/178116380.db2.gz VFAUIGCRXITHLO-SECBINFHSA-N 0 0 238.262 3.031 20 5 BGBDRN Cc1cc(N2CCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360091264 178115229 /nfs/dbraw/zinc/11/52/29/178115229.db2.gz VFAUIGCRXITHLO-VIFPVBQESA-N 0 0 238.262 3.031 20 5 BGBDRN CCC[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000360396677 169372018 /nfs/dbraw/zinc/37/20/18/169372018.db2.gz CIFLZOYGYGJTNA-MRVPVSSYSA-N 0 0 226.301 3.271 20 5 BGBDRN CCC[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000360396678 384357534 /nfs/dbraw/zinc/35/75/34/384357534.db2.gz CIFLZOYGYGJTNA-QMMMGPOBSA-N 0 0 226.301 3.271 20 5 BGBDRN Cc1ccc(Nc2nc(C)ccc2[N+](=O)[O-])cc1 ZINC000360684413 178781541 /nfs/dbraw/zinc/78/15/41/178781541.db2.gz DTCOHVOGKQJEAD-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN Cc1cccc(Nc2nc(C)ccc2[N+](=O)[O-])c1 ZINC000360686282 179158471 /nfs/dbraw/zinc/15/84/71/179158471.db2.gz SLPKMGSQWAKEAI-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN CC[C@@H](C)CSc1nc(C)ccc1[N+](=O)[O-] ZINC000360875651 487797250 /nfs/dbraw/zinc/79/72/50/487797250.db2.gz XVSVXCYGANTLFE-MRVPVSSYSA-N 0 0 240.328 3.436 20 5 BGBDRN CC[C@H](C)CSc1nc(C)ccc1[N+](=O)[O-] ZINC000360875652 171293480 /nfs/dbraw/zinc/29/34/80/171293480.db2.gz XVSVXCYGANTLFE-QMMMGPOBSA-N 0 0 240.328 3.436 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(SCCC(C)C)n1 ZINC000360882705 384134198 /nfs/dbraw/zinc/13/41/98/384134198.db2.gz FYBYYSXLJUDSAL-UHFFFAOYSA-N 0 0 240.328 3.436 20 5 BGBDRN CC(C)[C@@H](C)Sc1ccncc1[N+](=O)[O-] ZINC000360991402 167388934 /nfs/dbraw/zinc/38/89/34/167388934.db2.gz SPGATGOOJVWFKY-MRVPVSSYSA-N 0 0 226.301 3.126 20 5 BGBDRN CC(C)[C@H](C)Sc1ccncc1[N+](=O)[O-] ZINC000360991409 384172097 /nfs/dbraw/zinc/17/20/97/384172097.db2.gz SPGATGOOJVWFKY-QMMMGPOBSA-N 0 0 226.301 3.126 20 5 BGBDRN CCC[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361040930 132279879 /nfs/dbraw/zinc/27/98/79/132279879.db2.gz BIKBPQRUIDRBGX-LLVKDONJSA-N 0 0 249.314 3.006 20 5 BGBDRN CCC[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361040932 535729226 /nfs/dbraw/zinc/72/92/26/535729226.db2.gz BIKBPQRUIDRBGX-NSHDSACASA-N 0 0 249.314 3.006 20 5 BGBDRN CCC1(CC)CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361046448 168459149 /nfs/dbraw/zinc/45/91/49/168459149.db2.gz PGXQTIDSHNLNHK-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN Cc1cc(Oc2ccncc2[N+](=O)[O-])ccc1F ZINC000361058373 178215560 /nfs/dbraw/zinc/21/55/60/178215560.db2.gz PELAMPRKAYTFDH-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN CC(C)=CCSc1ccncc1[N+](=O)[O-] ZINC000361086557 187218857 /nfs/dbraw/zinc/21/88/57/187218857.db2.gz OLWYKNRZPYOGMC-UHFFFAOYSA-N 0 0 224.285 3.048 20 5 BGBDRN CCC(C)(C)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000361209318 168277554 /nfs/dbraw/zinc/27/75/54/168277554.db2.gz FDNPINQKVSQAKF-UHFFFAOYSA-N 0 0 239.319 3.234 20 5 BGBDRN Cc1cnc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000361259959 384586841 /nfs/dbraw/zinc/58/68/41/384586841.db2.gz FDGVNPSGTSCKEN-UHFFFAOYSA-N 0 0 248.213 3.230 20 5 BGBDRN Cc1cnc(NC[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000361261621 179634926 /nfs/dbraw/zinc/63/49/26/179634926.db2.gz HGQAXIIFBXHYTI-LLVKDONJSA-N 0 0 247.298 3.066 20 5 BGBDRN Cc1cnc(NC[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000361261622 179635596 /nfs/dbraw/zinc/63/55/96/179635596.db2.gz HGQAXIIFBXHYTI-NSHDSACASA-N 0 0 247.298 3.066 20 5 BGBDRN C[C@@H](Sc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000361375420 176010293 /nfs/dbraw/zinc/01/02/93/176010293.db2.gz DXNOSQQUHLPYOD-MRVPVSSYSA-N 0 0 249.295 3.171 20 5 BGBDRN C[C@H](Sc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000361375421 177030310 /nfs/dbraw/zinc/03/03/10/177030310.db2.gz DXNOSQQUHLPYOD-QMMMGPOBSA-N 0 0 249.295 3.171 20 5 BGBDRN Cc1c(OCC2CCC2)cccc1[N+](=O)[O-] ZINC000361442533 384738357 /nfs/dbraw/zinc/73/83/57/384738357.db2.gz IFXJLALUJKXCGH-UHFFFAOYSA-N 0 0 221.256 3.082 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1OCC1CCC1 ZINC000361448852 491126375 /nfs/dbraw/zinc/12/63/75/491126375.db2.gz HQILTDPCYKBJNN-UHFFFAOYSA-N 0 0 221.256 3.082 20 5 BGBDRN Cc1cc(OCC2CCC2)ccc1[N+](=O)[O-] ZINC000361450937 178209442 /nfs/dbraw/zinc/20/94/42/178209442.db2.gz XTYVEEKBZIHJHB-UHFFFAOYSA-N 0 0 221.256 3.082 20 5 BGBDRN CC[C@@H]1CCC[C@H]1Nc1ncc(C)cc1[N+](=O)[O-] ZINC000362561269 171002345 /nfs/dbraw/zinc/00/23/45/171002345.db2.gz NNJJLMATKJNMJF-GHMZBOCLSA-N 0 0 249.314 3.289 20 5 BGBDRN CC[C@@H]1CCC[C@@H]1Nc1ncc(C)cc1[N+](=O)[O-] ZINC000362561394 344845374 /nfs/dbraw/zinc/84/53/74/344845374.db2.gz NNJJLMATKJNMJF-MNOVXSKESA-N 0 0 249.314 3.289 20 5 BGBDRN CC[C@H]1CCC[C@@H]1Nc1ncc(C)cc1[N+](=O)[O-] ZINC000362561395 171625953 /nfs/dbraw/zinc/62/59/53/171625953.db2.gz NNJJLMATKJNMJF-QWRGUYRKSA-N 0 0 249.314 3.289 20 5 BGBDRN CC[C@H]1CCC[C@H]1Nc1ncc(C)cc1[N+](=O)[O-] ZINC000362561396 187744692 /nfs/dbraw/zinc/74/46/92/187744692.db2.gz NNJJLMATKJNMJF-WDEREUQCSA-N 0 0 249.314 3.289 20 5 BGBDRN CC(C)CC1(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000362561726 384260451 /nfs/dbraw/zinc/26/04/51/384260451.db2.gz UOPBTMWVSSBAPO-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCCC23CCC3)cc1 ZINC000365463415 385251612 /nfs/dbraw/zinc/25/16/12/385251612.db2.gz RGRNLIAIRJMKSL-UHFFFAOYSA-N 0 0 232.283 3.118 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCCC12CCC2 ZINC000365465182 385251341 /nfs/dbraw/zinc/25/13/41/385251341.db2.gz VYHJQOKEINISJZ-UHFFFAOYSA-N 0 0 232.283 3.118 20 5 BGBDRN Cc1cc(NC23CCC(CC2)C3)ncc1[N+](=O)[O-] ZINC000374595453 178153330 /nfs/dbraw/zinc/15/33/30/178153330.db2.gz PEZUBOZBLXNLGD-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1nc(NC23CCC(CC2)C3)ccc1[N+](=O)[O-] ZINC000374598110 180016651 /nfs/dbraw/zinc/01/66/51/180016651.db2.gz XWCXSACVPLUGMH-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378893486 371027667 /nfs/dbraw/zinc/02/76/67/371027667.db2.gz SLPIOFJDZPCFFO-VWYCJHECSA-N 0 0 232.283 3.195 20 5 BGBDRN CCC1(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000379445470 343518391 /nfs/dbraw/zinc/51/83/91/343518391.db2.gz DISQVRSYFZUPDU-UHFFFAOYSA-N 0 0 242.225 3.228 20 5 BGBDRN CCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000379449106 343520111 /nfs/dbraw/zinc/52/01/11/343520111.db2.gz IWBDKSNOHYIAAM-UHFFFAOYSA-N 0 0 220.272 3.258 20 5 BGBDRN CCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000379462939 343521796 /nfs/dbraw/zinc/52/17/96/343521796.db2.gz GRKVBBPJCJSELZ-UHFFFAOYSA-N 0 0 224.235 3.088 20 5 BGBDRN CCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000379468815 343529023 /nfs/dbraw/zinc/52/90/23/343529023.db2.gz SWCVGDWWFSGWPB-UHFFFAOYSA-N 0 0 224.235 3.088 20 5 BGBDRN CC(C)(C)C(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000379766002 343621551 /nfs/dbraw/zinc/62/15/51/343621551.db2.gz IFXZCJKXPDQOSC-UHFFFAOYSA-N 0 0 237.303 3.226 20 5 BGBDRN Cc1cc(NC2CC(C)C2)c(F)cc1[N+](=O)[O-] ZINC000379845467 343638285 /nfs/dbraw/zinc/63/82/85/343638285.db2.gz CPUXHXDJGKZLBB-UHFFFAOYSA-N 0 0 238.262 3.253 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1NCCC1CCC1 ZINC000379852299 712616895 /nfs/dbraw/zinc/61/68/95/712616895.db2.gz JXKKIGHZKBYIQA-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1NCCCC1CC1 ZINC000379995727 343663927 /nfs/dbraw/zinc/66/39/27/343663927.db2.gz VVZNIPQFVHTZOY-UHFFFAOYSA-N 0 0 238.262 3.336 20 5 BGBDRN C[C@@H](CF)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000380021723 343670435 /nfs/dbraw/zinc/67/04/35/343670435.db2.gz WUBRZSJFSRHMSV-LURJTMIESA-N 0 0 232.642 3.018 20 5 BGBDRN C[C@H](CF)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000380146237 343683170 /nfs/dbraw/zinc/68/31/70/343683170.db2.gz WUBRZSJFSRHMSV-ZCFIWIBFSA-N 0 0 232.642 3.018 20 5 BGBDRN 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20 5 BGBDRN Cc1ccc(N[C@H]2CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000380850877 344444337 /nfs/dbraw/zinc/44/43/37/344444337.db2.gz XRYHCEGSNIYKPJ-UWVGGRQHSA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1ccc(N[C@@H]2CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000380850880 344444270 /nfs/dbraw/zinc/44/42/70/344444270.db2.gz XRYHCEGSNIYKPJ-VHSXEESVSA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1ccc(N[C@H]2CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000380850888 344444294 /nfs/dbraw/zinc/44/42/94/344444294.db2.gz XRYHCEGSNIYKPJ-ZJUUUORDSA-N 0 0 220.272 3.114 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000383113045 352429834 /nfs/dbraw/zinc/42/98/34/352429834.db2.gz RNTOSMDMLLKASU-ICCXJUOJSA-N 0 0 232.283 3.195 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000383113048 352429929 /nfs/dbraw/zinc/42/99/29/352429929.db2.gz RNTOSMDMLLKASU-JIMOISOXSA-N 0 0 232.283 3.195 20 5 BGBDRN C[C@@H]1CC[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000383443008 353079366 /nfs/dbraw/zinc/07/93/66/353079366.db2.gz HJHLMNDTVLWMFG-LDWIPMOCSA-N 0 0 242.225 3.083 20 5 BGBDRN C[C@@H]1CC[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000383443012 353079308 /nfs/dbraw/zinc/07/93/08/353079308.db2.gz HJHLMNDTVLWMFG-LHLIQPBNSA-N 0 0 242.225 3.083 20 5 BGBDRN C[C@H]1CC[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000383443015 353079559 /nfs/dbraw/zinc/07/95/59/353079559.db2.gz HJHLMNDTVLWMFG-QUBYGPBYSA-N 0 0 242.225 3.083 20 5 BGBDRN C[C@H]1CC[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000383443018 353079268 /nfs/dbraw/zinc/07/92/68/353079268.db2.gz HJHLMNDTVLWMFG-WKEGUHRASA-N 0 0 242.225 3.083 20 5 BGBDRN CC(C)=CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000383489510 353397627 /nfs/dbraw/zinc/39/76/27/353397627.db2.gz AOVWKERQLPSJEP-UHFFFAOYSA-N 0 0 238.262 3.420 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCCCCC2)c1 ZINC000383489598 353397459 /nfs/dbraw/zinc/39/74/59/353397459.db2.gz VKPFCKMOGUADSY-UHFFFAOYSA-N 0 0 234.299 3.284 20 5 BGBDRN Cc1cc(NC2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000383636208 354605576 /nfs/dbraw/zinc/60/55/76/354605576.db2.gz 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/nfs/dbraw/zinc/72/78/60/356727860.db2.gz DVYURLKARKFGMS-ONEGZZNKSA-N 0 0 241.678 3.021 20 5 BGBDRN CC/C=C\CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000384751675 356740284 /nfs/dbraw/zinc/74/02/84/356740284.db2.gz OKJOPGXOVKYPPE-ARJAWSKDSA-N 0 0 241.678 3.021 20 5 BGBDRN CC/C=C/CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000384751676 356740036 /nfs/dbraw/zinc/74/00/36/356740036.db2.gz OKJOPGXOVKYPPE-ONEGZZNKSA-N 0 0 241.678 3.021 20 5 BGBDRN CC(C)(CNc1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000384967496 356828613 /nfs/dbraw/zinc/82/86/13/356828613.db2.gz OPXMUYHKISLIGI-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN CC(C)(CNc1ccc([N+](=O)[O-])nc1)C1CCC1 ZINC000385013135 356858240 /nfs/dbraw/zinc/85/82/40/356858240.db2.gz YGYCLGKVGSSUHH-UHFFFAOYSA-N 0 0 249.314 3.228 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC12CCCC2 ZINC000386874361 363055292 /nfs/dbraw/zinc/05/52/92/363055292.db2.gz DTFBJWNVXUNMHS-LLVKDONJSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC12CCCC2 ZINC000386874362 363055066 /nfs/dbraw/zinc/05/50/66/363055066.db2.gz DTFBJWNVXUNMHS-NSHDSACASA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC23CCCC3)n1 ZINC000386969372 363092171 /nfs/dbraw/zinc/09/21/71/363092171.db2.gz GAYHSKWYBVHQBI-LLVKDONJSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC23CCCC3)n1 ZINC000386969374 363092737 /nfs/dbraw/zinc/09/27/37/363092737.db2.gz GAYHSKWYBVHQBI-NSHDSACASA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1ccnc(N[C@H]2CC23CCCC3)c1[N+](=O)[O-] ZINC000386976623 363092788 /nfs/dbraw/zinc/09/27/88/363092788.db2.gz HOSUFYOXKPJDRT-JTQLQIEISA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1ccnc(N[C@@H]2CC23CCCC3)c1[N+](=O)[O-] ZINC000386976624 363092392 /nfs/dbraw/zinc/09/23/92/363092392.db2.gz HOSUFYOXKPJDRT-SNVBAGLBSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc(N[C@@H]2CC23CCCC3)ncc1[N+](=O)[O-] ZINC000386988938 363173172 /nfs/dbraw/zinc/17/31/72/363173172.db2.gz JTZBSYNAASIJGM-LLVKDONJSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc(N[C@H]2CC23CCCC3)ncc1[N+](=O)[O-] ZINC000386988944 363173092 /nfs/dbraw/zinc/17/30/92/363173092.db2.gz JTZBSYNAASIJGM-NSHDSACASA-N 0 0 247.298 3.043 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CCCC3)cc1 ZINC000387019728 363371030 /nfs/dbraw/zinc/37/10/30/363371030.db2.gz OPSNESOUPHXVKL-GFCCVEGCSA-N 0 0 232.283 3.339 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CCCC3)cc1 ZINC000387019737 363371036 /nfs/dbraw/zinc/37/10/36/363371036.db2.gz OPSNESOUPHXVKL-LBPRGKRZSA-N 0 0 232.283 3.339 20 5 BGBDRN Cc1cnc(N[C@@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC000387034006 363379786 /nfs/dbraw/zinc/37/97/86/363379786.db2.gz QMPORJMKPSDYIB-LLVKDONJSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cnc(N[C@H]2CC23CCCC3)c([N+](=O)[O-])c1 ZINC000387034007 363380079 /nfs/dbraw/zinc/38/00/79/363380079.db2.gz QMPORJMKPSDYIB-NSHDSACASA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1nc(N[C@@H]2CC23CCCC3)ccc1[N+](=O)[O-] ZINC000387060971 363490600 /nfs/dbraw/zinc/49/06/00/363490600.db2.gz VJWOWEFVBWJHDO-LLVKDONJSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1nc(N[C@H]2CC23CCCC3)ccc1[N+](=O)[O-] 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CC[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000388951260 371105190 /nfs/dbraw/zinc/10/51/90/371105190.db2.gz ZROSGIYXRJZSPY-MNOVXSKESA-N 0 0 249.314 3.289 20 5 BGBDRN CC[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000388951271 371104793 /nfs/dbraw/zinc/10/47/93/371104793.db2.gz ZROSGIYXRJZSPY-QWRGUYRKSA-N 0 0 249.314 3.289 20 5 BGBDRN CC[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000388951285 371105476 /nfs/dbraw/zinc/10/54/76/371105476.db2.gz ZROSGIYXRJZSPY-WDEREUQCSA-N 0 0 249.314 3.289 20 5 BGBDRN CC(F)(F)CCCNc1ccccc1[N+](=O)[O-] ZINC000390053169 371186636 /nfs/dbraw/zinc/18/66/36/371186636.db2.gz XPBKGUPMRDFYHZ-UHFFFAOYSA-N 0 0 244.241 3.442 20 5 BGBDRN CCNc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000390476768 259390298 /nfs/dbraw/zinc/39/02/98/259390298.db2.gz LBTQNAPOEPDVTA-UHFFFAOYSA-N 0 0 222.288 3.324 20 5 BGBDRN C[C@@H]1CC[C@@H]1Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000390499403 259391027 /nfs/dbraw/zinc/39/10/27/259391027.db2.gz SPQXMJBDDBPGPU-APPZFPTMSA-N 0 0 240.690 3.459 20 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240.690 3.459 20 5 BGBDRN C[C@@H]1CC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000390605989 259395063 /nfs/dbraw/zinc/39/50/63/259395063.db2.gz XSTSDEDWIXPLHB-VXNVDRBHSA-N 0 0 240.690 3.459 20 5 BGBDRN Cc1cc(NC2CCC2)c(F)cc1[N+](=O)[O-] ZINC000390620891 259395587 /nfs/dbraw/zinc/39/55/87/259395587.db2.gz FQISFWQKUACTLH-UHFFFAOYSA-N 0 0 224.235 3.007 20 5 BGBDRN Cc1cc(N[C@@H]2CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000390682661 259397843 /nfs/dbraw/zinc/39/78/43/259397843.db2.gz YDUCVPQYAXNYAL-GZMMTYOYSA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1cc(N[C@H]2CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000390682662 259397883 /nfs/dbraw/zinc/39/78/83/259397883.db2.gz YDUCVPQYAXNYAL-KCJUWKMLSA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1cc(N[C@H]2CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000390682663 259397831 /nfs/dbraw/zinc/39/78/31/259397831.db2.gz YDUCVPQYAXNYAL-KWQFWETISA-N 0 0 220.272 3.114 20 5 BGBDRN Cc1cc(N[C@@H]2CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000390682664 259397836 /nfs/dbraw/zinc/39/78/36/259397836.db2.gz YDUCVPQYAXNYAL-LDYMZIIASA-N 0 0 220.272 3.114 20 5 BGBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])s1)C(C)(C)C ZINC000390817203 388755036 /nfs/dbraw/zinc/75/50/36/388755036.db2.gz NQUVLFFALPRROF-SSDOTTSWSA-N 0 0 243.332 3.288 20 5 BGBDRN CC[C@H](Nc1ncc([N+](=O)[O-])s1)C(C)(C)C ZINC000390817204 259415842 /nfs/dbraw/zinc/41/58/42/259415842.db2.gz NQUVLFFALPRROF-ZETCQYMHSA-N 0 0 243.332 3.288 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CC12CCCC2 ZINC000395630694 323233915 /nfs/dbraw/zinc/23/39/15/323233915.db2.gz BZKVVUBDPRGLTF-GFCCVEGCSA-N 0 0 232.283 3.339 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@H]1CC12CCCC2 ZINC000395630696 323233871 /nfs/dbraw/zinc/23/38/71/323233871.db2.gz BZKVVUBDPRGLTF-LBPRGKRZSA-N 0 0 232.283 3.339 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397811105 385716338 /nfs/dbraw/zinc/71/63/38/385716338.db2.gz IZYKUCRRXKOUOT-JGPRNRPPSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000397811846 262935121 /nfs/dbraw/zinc/93/51/21/262935121.db2.gz 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/nfs/dbraw/zinc/74/40/69/385744069.db2.gz MCYGXGWTHHFDHQ-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc(NC2(C3(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000398189691 385740183 /nfs/dbraw/zinc/74/01/83/385740183.db2.gz QRDSFMQUFCQQJP-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN CC1(C2(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000398250236 322867381 /nfs/dbraw/zinc/86/73/81/322867381.db2.gz IGNRFUWCNPLIKN-UHFFFAOYSA-N 0 0 232.283 3.339 20 5 BGBDRN CC1(C2(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000398262460 322868121 /nfs/dbraw/zinc/86/81/21/322868121.db2.gz OZIIIUDPOIOHKP-UHFFFAOYSA-N 0 0 232.283 3.339 20 5 BGBDRN O=[N+]([O-])c1sccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403319196 359466455 /nfs/dbraw/zinc/46/64/55/359466455.db2.gz IOESENFUQSWYNF-IWSPIJDZSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1sccc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403319197 359466829 /nfs/dbraw/zinc/46/68/29/359466829.db2.gz IOESENFUQSWYNF-XHNCKOQMSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403320286 369399714 /nfs/dbraw/zinc/39/97/14/369399714.db2.gz JSAFOJQZUZSPSJ-GARJFASQSA-N 0 0 232.283 3.195 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403320287 369398848 /nfs/dbraw/zinc/39/88/48/369398848.db2.gz JSAFOJQZUZSPSJ-GMTAPVOTSA-N 0 0 232.283 3.195 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403321295 359718562 /nfs/dbraw/zinc/71/85/62/359718562.db2.gz LHORMIAAGXTXJI-CKYFFXLPSA-N 0 0 232.283 3.195 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403321297 359718009 /nfs/dbraw/zinc/71/80/09/359718009.db2.gz LHORMIAAGXTXJI-JBLDHEPKSA-N 0 0 232.283 3.195 20 5 BGBDRN Cc1ncc([N+](=O)[O-])n1CC1CCCCCC1 ZINC000408214052 344249622 /nfs/dbraw/zinc/24/96/22/344249622.db2.gz KNRBURRCJJZISN-UHFFFAOYSA-N 0 0 237.303 3.070 20 5 BGBDRN Cc1cn(CC2CCCCCC2)nc1[N+](=O)[O-] ZINC000408418849 386561187 /nfs/dbraw/zinc/56/11/87/386561187.db2.gz CYHYFIZFVSBTDP-UHFFFAOYSA-N 0 0 237.303 3.070 20 5 BGBDRN CC1(C)CCCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408443761 386777636 /nfs/dbraw/zinc/77/76/36/386777636.db2.gz PECHOHSPPUYUOM-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN CC1(C)CCCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000408444926 386789134 /nfs/dbraw/zinc/78/91/34/386789134.db2.gz VSKNJCJUTAHLEE-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN CC(C)c1nccn1/C=C\c1ccc([N+](=O)[O-])o1 ZINC000412994004 191331639 /nfs/dbraw/zinc/33/16/39/191331639.db2.gz APYDGNACABRPHC-ALCCZGGFSA-N 0 0 247.254 3.136 20 5 BGBDRN CC(C)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413022976 191343421 /nfs/dbraw/zinc/34/34/21/191343421.db2.gz HJVLSPJYVYRUGT-UHFFFAOYSA-N 0 0 245.282 3.211 20 5 BGBDRN O=[N+]([O-])c1cnc(SC2CCCC2)c(F)c1 ZINC000413025704 191343904 /nfs/dbraw/zinc/34/39/04/191343904.db2.gz RVQWGGYKSOBEFV-UHFFFAOYSA-N 0 0 242.275 3.164 20 5 BGBDRN CCC[C@@H](CC)Nc1ncc([N+](=O)[O-])cc1F ZINC000413106271 191354833 /nfs/dbraw/zinc/35/48/33/191354833.db2.gz ZXPLLWPKZLHUJH-MRVPVSSYSA-N 0 0 241.266 3.120 20 5 BGBDRN CCC[C@H](CC)Nc1ncc([N+](=O)[O-])cc1F ZINC000413106272 191354553 /nfs/dbraw/zinc/35/45/53/191354553.db2.gz ZXPLLWPKZLHUJH-QMMMGPOBSA-N 0 0 241.266 3.120 20 5 BGBDRN CCC(CC)Sc1ncc([N+](=O)[O-])cc1F ZINC000413113184 191354523 /nfs/dbraw/zinc/35/45/23/191354523.db2.gz VQWTYWUKDAUQNO-UHFFFAOYSA-N 0 0 244.291 3.410 20 5 BGBDRN O=[N+]([O-])c1ccc2ccnc(NC3CCC3)c2c1 ZINC000413127448 191358406 /nfs/dbraw/zinc/35/84/06/191358406.db2.gz AXYHEBYXGXBTGX-UHFFFAOYSA-N 0 0 243.266 3.107 20 5 BGBDRN CC(C)CCSc1ncc([N+](=O)[O-])cc1F ZINC000413173632 191360695 /nfs/dbraw/zinc/36/06/95/191360695.db2.gz RBFVYUVUOOCUCH-UHFFFAOYSA-N 0 0 244.291 3.267 20 5 BGBDRN CC[C@@H](C)CSc1ncc([N+](=O)[O-])cc1F ZINC000413179925 191360784 /nfs/dbraw/zinc/36/07/84/191360784.db2.gz CYFKBFMLUDIDGS-SSDOTTSWSA-N 0 0 244.291 3.267 20 5 BGBDRN CC[C@H](C)CSc1ncc([N+](=O)[O-])cc1F ZINC000413179926 191361234 /nfs/dbraw/zinc/36/12/34/191361234.db2.gz CYFKBFMLUDIDGS-ZETCQYMHSA-N 0 0 244.291 3.267 20 5 BGBDRN CC(C)=CCSc1ncc([N+](=O)[O-])cc1F ZINC000413263064 191366418 /nfs/dbraw/zinc/36/64/18/191366418.db2.gz HVNNQMILJSGCBV-UHFFFAOYSA-N 0 0 242.275 3.187 20 5 BGBDRN CSCCCSc1ccccc1[N+](=O)[O-] ZINC000413330077 191374522 /nfs/dbraw/zinc/37/45/22/191374522.db2.gz KETLYBIIMSJFAF-UHFFFAOYSA-N 0 0 243.353 3.440 20 5 BGBDRN CSCCCSc1ccc([N+](=O)[O-])cc1 ZINC000413340919 191372791 /nfs/dbraw/zinc/37/27/91/191372791.db2.gz WUDSMXOSNCYBBE-UHFFFAOYSA-N 0 0 243.353 3.440 20 5 BGBDRN CC(C)(C)C1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000413368946 191377118 /nfs/dbraw/zinc/37/71/18/191377118.db2.gz FPWIJAJQMMYIHA-UHFFFAOYSA-N 0 0 234.299 3.077 20 5 BGBDRN CCC1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000413372679 191376501 /nfs/dbraw/zinc/37/65/01/191376501.db2.gz XZKRGQUCESGIMW-UHFFFAOYSA-N 0 0 240.690 3.094 20 5 BGBDRN CC(=O)c1ccc(N[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000413497016 191389851 /nfs/dbraw/zinc/38/98/51/191389851.db2.gz FOGIMEJSAAYAQD-LBPRGKRZSA-N 0 0 248.282 3.008 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2F)cc1 ZINC000413536866 191393490 /nfs/dbraw/zinc/39/34/90/191393490.db2.gz RYBVVONLIBWWOC-VXGBXAGGSA-N 0 0 238.262 3.287 20 5 BGBDRN CC[C@@H](CSc1cccc([N+](=O)[O-])c1)OC ZINC000416909617 388672016 /nfs/dbraw/zinc/67/20/16/388672016.db2.gz GEGOUZZPDNDUQP-JTQLQIEISA-N 0 0 241.312 3.112 20 5 BGBDRN CC[C@H](CSc1cccc([N+](=O)[O-])c1)OC ZINC000416909618 191769109 /nfs/dbraw/zinc/76/91/09/191769109.db2.gz GEGOUZZPDNDUQP-SNVBAGLBSA-N 0 0 241.312 3.112 20 5 BGBDRN Cc1nn([C@H](C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000418766182 192067046 /nfs/dbraw/zinc/06/70/46/192067046.db2.gz QOPVPRKANFUWQL-MRVPVSSYSA-N 0 0 225.292 3.015 20 5 BGBDRN Cc1nn([C@@H](C)CC(C)C)c(C)c1[N+](=O)[O-] ZINC000418766188 192067076 /nfs/dbraw/zinc/06/70/76/192067076.db2.gz QOPVPRKANFUWQL-QMMMGPOBSA-N 0 0 225.292 3.015 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC12CC2 ZINC000418984437 192091237 /nfs/dbraw/zinc/09/12/37/192091237.db2.gz DNNIPJLVRCLNBB-JTQLQIEISA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC12CC2 ZINC000418984438 192091244 /nfs/dbraw/zinc/09/12/44/192091244.db2.gz DNNIPJLVRCLNBB-SNVBAGLBSA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1cccc(NC[C@@H]2CC23CC3)c1[N+](=O)[O-] ZINC000418986339 192091467 /nfs/dbraw/zinc/09/14/67/192091467.db2.gz YDKMTEJVNNPTJZ-JTQLQIEISA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1cccc(NC[C@H]2CC23CC3)c1[N+](=O)[O-] ZINC000418986340 192091715 /nfs/dbraw/zinc/09/17/15/192091715.db2.gz YDKMTEJVNNPTJZ-SNVBAGLBSA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC12CC2 ZINC000418987588 192091943 /nfs/dbraw/zinc/09/19/43/192091943.db2.gz HRLYJLOXLMXGGO-JTQLQIEISA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC12CC2 ZINC000418987589 192091560 /nfs/dbraw/zinc/09/15/60/192091560.db2.gz HRLYJLOXLMXGGO-SNVBAGLBSA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC23CC3)c1 ZINC000418988224 192091981 /nfs/dbraw/zinc/09/19/81/192091981.db2.gz IKZGDSMNGJPZIR-JTQLQIEISA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC23CC3)c1 ZINC000418988225 192091670 /nfs/dbraw/zinc/09/16/70/192091670.db2.gz IKZGDSMNGJPZIR-SNVBAGLBSA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1ccc(NC[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000418991246 192091979 /nfs/dbraw/zinc/09/19/79/192091979.db2.gz MFKBPLMTTWWPLH-JTQLQIEISA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1ccc(NC[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000418991247 192091535 /nfs/dbraw/zinc/09/15/35/192091535.db2.gz MFKBPLMTTWWPLH-SNVBAGLBSA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1cc(NC[C@@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000418995062 192095930 /nfs/dbraw/zinc/09/59/30/192095930.db2.gz QXJPGHKAXXPZFD-JTQLQIEISA-N 0 0 232.283 3.115 20 5 BGBDRN Cc1cc(NC[C@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000418995063 192095830 /nfs/dbraw/zinc/09/58/30/192095830.db2.gz QXJPGHKAXXPZFD-SNVBAGLBSA-N 0 0 232.283 3.115 20 5 BGBDRN CC[C@@H](CSc1ccc([N+](=O)[O-])cc1)OC ZINC000419618330 192142287 /nfs/dbraw/zinc/14/22/87/192142287.db2.gz BREILGHSABBSMS-JTQLQIEISA-N 0 0 241.312 3.112 20 5 BGBDRN CC[C@H](CSc1ccc([N+](=O)[O-])cc1)OC ZINC000419618331 192142480 /nfs/dbraw/zinc/14/24/80/192142480.db2.gz BREILGHSABBSMS-SNVBAGLBSA-N 0 0 241.312 3.112 20 5 BGBDRN CC[C@@H](C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420659340 192256189 /nfs/dbraw/zinc/25/61/89/192256189.db2.gz ZZPFBLXRSFFZNE-SECBINFHSA-N 0 0 249.314 3.021 20 5 BGBDRN CC[C@H](C)CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420659344 192256483 /nfs/dbraw/zinc/25/64/83/192256483.db2.gz ZZPFBLXRSFFZNE-VIFPVBQESA-N 0 0 249.314 3.021 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CC3)c(Cl)c1 ZINC000425271408 192087533 /nfs/dbraw/zinc/08/75/33/192087533.db2.gz IDNLIYMQHREKIO-JTQLQIEISA-N 0 0 238.674 3.213 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CC3)c(Cl)c1 ZINC000425271410 192087589 /nfs/dbraw/zinc/08/75/89/192087589.db2.gz IDNLIYMQHREKIO-SNVBAGLBSA-N 0 0 238.674 3.213 20 5 BGBDRN Cc1cc(N[C@@H]2CC23CC3)c(F)cc1[N+](=O)[O-] ZINC000425272594 192087117 /nfs/dbraw/zinc/08/71/17/192087117.db2.gz LIKYZDGABYNIMQ-LLVKDONJSA-N 0 0 236.246 3.007 20 5 BGBDRN Cc1cc(N[C@H]2CC23CC3)c(F)cc1[N+](=O)[O-] ZINC000425272596 192087475 /nfs/dbraw/zinc/08/74/75/192087475.db2.gz LIKYZDGABYNIMQ-NSHDSACASA-N 0 0 236.246 3.007 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC12CC2 ZINC000425274965 192087817 /nfs/dbraw/zinc/08/78/17/192087817.db2.gz SGTMHAUMTYTNLL-JTQLQIEISA-N 0 0 238.674 3.213 20 5 BGBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC12CC2 ZINC000425274966 192087865 /nfs/dbraw/zinc/08/78/65/192087865.db2.gz SGTMHAUMTYTNLL-SNVBAGLBSA-N 0 0 238.674 3.213 20 5 BGBDRN CC(C)CCCOc1ccccc1[N+](=O)[O-] ZINC000428072158 388719051 /nfs/dbraw/zinc/71/90/51/388719051.db2.gz RJSOZGNBJLSUSZ-UHFFFAOYSA-N 0 0 223.272 3.410 20 5 BGBDRN Cc1cnc(OCCCC(C)C)c([N+](=O)[O-])c1 ZINC000428091122 386190338 /nfs/dbraw/zinc/19/03/38/386190338.db2.gz LBCGILVFQKRWIV-UHFFFAOYSA-N 0 0 238.287 3.113 20 5 BGBDRN Cc1c(NC(=O)CC2(C)CC2)cccc1[N+](=O)[O-] ZINC000428320349 201009852 /nfs/dbraw/zinc/00/98/52/201009852.db2.gz SURAWPSUBJTPLX-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1(C)CC1 ZINC000428336130 201009527 /nfs/dbraw/zinc/00/95/27/201009527.db2.gz HAWLBYQBFYZCLF-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN Cc1ccc(NC(=O)CC2(C)CC2)cc1[N+](=O)[O-] ZINC000428337892 201008927 /nfs/dbraw/zinc/00/89/27/201008927.db2.gz OIIUCZLLCHNEKR-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN C[C@@H]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000428674249 201034936 /nfs/dbraw/zinc/03/49/36/201034936.db2.gz QPNDSPHKCYACJN-GHMZBOCLSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000428674250 201034831 /nfs/dbraw/zinc/03/48/31/201034831.db2.gz QPNDSPHKCYACJN-MNOVXSKESA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@H]1CC[C@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000428674252 201034270 /nfs/dbraw/zinc/03/42/70/201034270.db2.gz QPNDSPHKCYACJN-QWRGUYRKSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@H]1CC[C@@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000428674253 201034669 /nfs/dbraw/zinc/03/46/69/201034669.db2.gz QPNDSPHKCYACJN-WDEREUQCSA-N 0 0 234.299 3.220 20 5 BGBDRN Cc1cc(NC(=O)CC2(C)CC2)ccc1[N+](=O)[O-] ZINC000429083000 201066284 /nfs/dbraw/zinc/06/62/84/201066284.db2.gz UBVPZYWRUOJQLI-UHFFFAOYSA-N 0 0 248.282 3.032 20 5 BGBDRN O=[N+]([O-])c1ccc(CSC2CCC2)cc1 ZINC000430966687 388729748 /nfs/dbraw/zinc/72/97/48/388729748.db2.gz PFVIQQASZSPXHV-UHFFFAOYSA-N 0 0 223.297 3.381 20 5 BGBDRN O=[N+]([O-])c1cccc(SC2CCC2)c1 ZINC000430985381 388730084 /nfs/dbraw/zinc/73/00/84/388730084.db2.gz VGFRNYDNSGHEMV-UHFFFAOYSA-N 0 0 209.270 3.239 20 5 BGBDRN C/C=C(/C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000431312599 388731573 /nfs/dbraw/zinc/73/15/73/388731573.db2.gz LCENLSJXCYRJAF-BAQGIRSFSA-N 0 0 245.238 3.068 20 5 BGBDRN C/C=C(\C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000431312601 388731427 /nfs/dbraw/zinc/73/14/27/388731427.db2.gz LCENLSJXCYRJAF-FPYGCLRLSA-N 0 0 245.238 3.068 20 5 BGBDRN C/C=C(/C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000431318143 388730970 /nfs/dbraw/zinc/73/09/70/388730970.db2.gz GMHXKILDGILFHR-BAQGIRSFSA-N 0 0 245.238 3.068 20 5 BGBDRN C/C=C(\C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000431318144 388731269 /nfs/dbraw/zinc/73/12/69/388731269.db2.gz GMHXKILDGILFHR-FPYGCLRLSA-N 0 0 245.238 3.068 20 5 BGBDRN CC[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000431483238 192918943 /nfs/dbraw/zinc/91/89/43/192918943.db2.gz MZSWYVYSWAWTGC-XYPYZODXSA-N 0 0 249.314 3.371 20 5 BGBDRN CC(C)[C@H]1N(c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431486350 388730945 /nfs/dbraw/zinc/73/09/45/388730945.db2.gz WYRQIBGOFBNPRC-CYBMUJFWSA-N 0 0 248.326 3.466 20 5 BGBDRN CC[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000431486423 388730982 /nfs/dbraw/zinc/73/09/82/388730982.db2.gz VCDCPEQTDINKQP-XYPYZODXSA-N 0 0 249.314 3.371 20 5 BGBDRN CC(C)[C@@H]1N(c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431486647 192918950 /nfs/dbraw/zinc/91/89/50/192918950.db2.gz WYRQIBGOFBNPRC-ZDUSSCGKSA-N 0 0 248.326 3.466 20 5 BGBDRN CC[C@H]1CC[C@H](Nc2ncccc2[N+](=O)[O-])CC1 ZINC000431489838 192917999 /nfs/dbraw/zinc/91/79/99/192917999.db2.gz WBIHCHAQHCGHMX-XYPYZODXSA-N 0 0 249.314 3.371 20 5 BGBDRN C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432318687 384632309 /nfs/dbraw/zinc/63/23/09/384632309.db2.gz UMDWNZFCIAVKOO-MRVPVSSYSA-N 0 0 240.690 3.094 20 5 BGBDRN C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432318689 384632051 /nfs/dbraw/zinc/63/20/51/384632051.db2.gz UMDWNZFCIAVKOO-QMMMGPOBSA-N 0 0 240.690 3.094 20 5 BGBDRN C[C@@H]1CCCN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000432319359 384630980 /nfs/dbraw/zinc/63/09/80/384630980.db2.gz XYQYGOHIOOXLMR-MRVPVSSYSA-N 0 0 240.690 3.237 20 5 BGBDRN C[C@H]1CCCN1c1c(Cl)cccc1[N+](=O)[O-] ZINC000432319360 384632643 /nfs/dbraw/zinc/63/26/43/384632643.db2.gz XYQYGOHIOOXLMR-QMMMGPOBSA-N 0 0 240.690 3.237 20 5 BGBDRN CN(CC1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432325167 384645937 /nfs/dbraw/zinc/64/59/37/384645937.db2.gz ZHPRJKWSJGRXBZ-UHFFFAOYSA-N 0 0 240.690 3.094 20 5 BGBDRN CCCN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432334539 398054281 /nfs/dbraw/zinc/05/42/81/398054281.db2.gz KFALMVCBJOLXTH-UHFFFAOYSA-N 0 0 228.679 3.094 20 5 BGBDRN C[C@@H]1CC2(CCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000432881839 192968434 /nfs/dbraw/zinc/96/84/34/192968434.db2.gz ZPELIKPCLGIUAD-LLVKDONJSA-N 0 0 246.310 3.364 20 5 BGBDRN C[C@H]1CC2(CCC2)CN1c1ccccc1[N+](=O)[O-] ZINC000432881840 384902453 /nfs/dbraw/zinc/90/24/53/384902453.db2.gz ZPELIKPCLGIUAD-NSHDSACASA-N 0 0 246.310 3.364 20 5 BGBDRN O=[N+]([O-])c1cc(F)cc(O[C@@H]2C=CCCC2)c1 ZINC000433659813 201190237 /nfs/dbraw/zinc/19/02/37/201190237.db2.gz IKZZBMOFYAAPMJ-LLVKDONJSA-N 0 0 237.230 3.221 20 5 BGBDRN O=[N+]([O-])c1cc(F)cc(O[C@H]2C=CCCC2)c1 ZINC000433659814 201188872 /nfs/dbraw/zinc/18/88/72/201188872.db2.gz IKZZBMOFYAAPMJ-NSHDSACASA-N 0 0 237.230 3.221 20 5 BGBDRN Cc1cc(N2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000435588022 201277124 /nfs/dbraw/zinc/27/71/24/201277124.db2.gz HZTRNMQRNFEYNM-UHFFFAOYSA-N 0 0 232.283 3.060 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCC=C(C)C2)c1 ZINC000435597060 201277410 /nfs/dbraw/zinc/27/74/10/201277410.db2.gz JXXOPDUWERSLDA-UHFFFAOYSA-N 0 0 232.283 3.060 20 5 BGBDRN CC(C)CCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436212502 201313763 /nfs/dbraw/zinc/31/37/63/201313763.db2.gz UVTRBRBXZZFUFW-UHFFFAOYSA-N 0 0 237.303 3.105 20 5 BGBDRN CC/C=C\CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436212850 201313552 /nfs/dbraw/zinc/31/35/52/201313552.db2.gz WACGAKBJBANIPP-ARJAWSKDSA-N 0 0 235.287 3.025 20 5 BGBDRN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000437361849 201350789 /nfs/dbraw/zinc/35/07/89/201350789.db2.gz BSVUQCRJUHOMII-UHFFFAOYSA-N 0 0 246.266 3.034 20 5 BGBDRN CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000437368434 201351681 /nfs/dbraw/zinc/35/16/81/201351681.db2.gz KDTISCUAQMUZHF-UHFFFAOYSA-N 0 0 246.266 3.034 20 5 BGBDRN O=[N+]([O-])c1ccc(SCC2CCC2)cc1 ZINC000437438640 201354220 /nfs/dbraw/zinc/35/42/20/201354220.db2.gz KWZGZPJUSAGYIU-UHFFFAOYSA-N 0 0 223.297 3.487 20 5 BGBDRN CCOCCCSc1ccc([N+](=O)[O-])cc1 ZINC000437451250 201352648 /nfs/dbraw/zinc/35/26/48/201352648.db2.gz JNNMKFOQKRSLHK-UHFFFAOYSA-N 0 0 241.312 3.114 20 5 BGBDRN O=[N+]([O-])c1ccc(SCCC2CC2)cc1 ZINC000437939469 201379490 /nfs/dbraw/zinc/37/94/90/201379490.db2.gz ZFACRDKBJIHAKY-UHFFFAOYSA-N 0 0 223.297 3.487 20 5 BGBDRN Cc1nn(CCC2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000438320767 385970290 /nfs/dbraw/zinc/97/02/90/385970290.db2.gz LCLUPQHSYNRUST-UHFFFAOYSA-N 0 0 245.282 3.053 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCCC1CC1 ZINC000438325530 385970673 /nfs/dbraw/zinc/97/06/73/385970673.db2.gz HAIOGZPTXYDDKD-UHFFFAOYSA-N 0 0 234.299 3.424 20 5 BGBDRN Cc1cccc(/C=C\c2ccc([N+](=O)[O-])cn2)c1 ZINC000439509471 386465160 /nfs/dbraw/zinc/46/51/60/386465160.db2.gz FJGKXSUENKVCAK-WAYWQWQTSA-N 0 0 240.262 3.469 20 5 BGBDRN Cc1ccccc1/C=C\c1ccc([N+](=O)[O-])cn1 ZINC000439513058 386464964 /nfs/dbraw/zinc/46/49/64/386464964.db2.gz MQFHQLCNOFOYIW-SREVYHEPSA-N 0 0 240.262 3.469 20 5 BGBDRN O=[N+]([O-])c1ccc(/C=C\c2ccc(F)cc2)nc1 ZINC000439515197 386476491 /nfs/dbraw/zinc/47/64/91/386476491.db2.gz PGTYCPKAVNSEAV-UTCJRWHESA-N 0 0 244.225 3.299 20 5 BGBDRN O=[N+]([O-])c1ccc(/C=C/c2ccc(F)cc2)nc1 ZINC000439515201 386479060 /nfs/dbraw/zinc/47/90/60/386479060.db2.gz PGTYCPKAVNSEAV-ZZXKWVIFSA-N 0 0 244.225 3.299 20 5 BGBDRN O=[N+]([O-])c1ccc(/C=C\c2cccc(F)c2)nc1 ZINC000439518543 201454233 /nfs/dbraw/zinc/45/42/33/201454233.db2.gz HCYGLLVIRGMOHW-PLNGDYQASA-N 0 0 244.225 3.299 20 5 BGBDRN Cc1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)cc1 ZINC000439519919 386477760 /nfs/dbraw/zinc/47/77/60/386477760.db2.gz INTABCMBKIRMJK-SREVYHEPSA-N 0 0 240.262 3.469 20 5 BGBDRN O=[N+]([O-])c1ccc(/C=C\c2ccccc2F)nc1 ZINC000439525085 386489485 /nfs/dbraw/zinc/48/94/85/386489485.db2.gz NACMNBRSBXTABN-WAYWQWQTSA-N 0 0 244.225 3.299 20 5 BGBDRN O=[N+]([O-])c1ccc(/C=C\c2ccccc2)nc1 ZINC000439533677 386493910 /nfs/dbraw/zinc/49/39/10/386493910.db2.gz XWIUJOODUKEKIT-SREVYHEPSA-N 0 0 226.235 3.160 20 5 BGBDRN CC[C@@H](F)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000440569502 201493144 /nfs/dbraw/zinc/49/31/44/201493144.db2.gz CXJGCMGIKYJFAN-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@H](F)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000440569507 487712104 /nfs/dbraw/zinc/71/21/04/487712104.db2.gz CXJGCMGIKYJFAN-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@@H](F)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000440570150 387319687 /nfs/dbraw/zinc/31/96/87/387319687.db2.gz QMHKFZXBGJICJI-MRVPVSSYSA-N 0 0 247.653 3.375 20 5 BGBDRN CC[C@H](F)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000440570154 387321590 /nfs/dbraw/zinc/32/15/90/387321590.db2.gz QMHKFZXBGJICJI-QMMMGPOBSA-N 0 0 247.653 3.375 20 5 BGBDRN CC[C@@H](F)COc1cc(C)ccc1[N+](=O)[O-] ZINC000440572417 487711176 /nfs/dbraw/zinc/71/11/76/487711176.db2.gz UJWKUASYWPXPQQ-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@H](F)COc1cc(C)ccc1[N+](=O)[O-] ZINC000440572418 201492924 /nfs/dbraw/zinc/49/29/24/201492924.db2.gz UJWKUASYWPXPQQ-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@@H](F)COc1ccc(C)cc1[N+](=O)[O-] ZINC000440576821 387345383 /nfs/dbraw/zinc/34/53/83/387345383.db2.gz KJRPQSFODJMVCE-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@H](F)COc1ccc(C)cc1[N+](=O)[O-] ZINC000440576822 387343531 /nfs/dbraw/zinc/34/35/31/387343531.db2.gz KJRPQSFODJMVCE-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@@H](F)COc1ccc([N+](=O)[O-])cc1Cl ZINC000440582568 387345494 /nfs/dbraw/zinc/34/54/94/387345494.db2.gz UZSCXRJWWQLOLA-SSDOTTSWSA-N 0 0 247.653 3.375 20 5 BGBDRN CC[C@H](F)COc1ccc([N+](=O)[O-])cc1Cl ZINC000440582569 387345758 /nfs/dbraw/zinc/34/57/58/387345758.db2.gz UZSCXRJWWQLOLA-ZETCQYMHSA-N 0 0 247.653 3.375 20 5 BGBDRN CC[C@@H](F)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000440590568 387363687 /nfs/dbraw/zinc/36/36/87/387363687.db2.gz YVJJDVDFERQYMT-MRVPVSSYSA-N 0 0 245.225 3.169 20 5 BGBDRN CC[C@H](F)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000440590570 387364523 /nfs/dbraw/zinc/36/45/23/387364523.db2.gz YVJJDVDFERQYMT-QMMMGPOBSA-N 0 0 245.225 3.169 20 5 BGBDRN CC[C@@H](F)COc1cccc(C)c1[N+](=O)[O-] ZINC000440590876 387364654 /nfs/dbraw/zinc/36/46/54/387364654.db2.gz MQIOKKFPVJCDIG-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@H](F)COc1cccc(C)c1[N+](=O)[O-] ZINC000440590877 201495949 /nfs/dbraw/zinc/49/59/49/201495949.db2.gz MQIOKKFPVJCDIG-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@@H](F)COc1ccc([N+](=O)[O-])cc1C ZINC000440591450 201496574 /nfs/dbraw/zinc/49/65/74/201496574.db2.gz QJWLNVOBRRGQRX-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@H](F)COc1ccc([N+](=O)[O-])cc1C ZINC000440591451 201496047 /nfs/dbraw/zinc/49/60/47/201496047.db2.gz QJWLNVOBRRGQRX-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@@H](F)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000440592884 387362960 /nfs/dbraw/zinc/36/29/60/387362960.db2.gz HPZVTNKOWNPCAT-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@H](F)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000440592886 201495758 /nfs/dbraw/zinc/49/57/58/201495758.db2.gz HPZVTNKOWNPCAT-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@@H](F)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000440593261 201496369 /nfs/dbraw/zinc/49/63/69/201496369.db2.gz DVXDPRACDZLKKT-SSDOTTSWSA-N 0 0 247.653 3.375 20 5 BGBDRN CC[C@H](F)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000440593262 201496384 /nfs/dbraw/zinc/49/63/84/201496384.db2.gz DVXDPRACDZLKKT-ZETCQYMHSA-N 0 0 247.653 3.375 20 5 BGBDRN CC[C@@H](F)COc1cc([N+](=O)[O-])ccc1C ZINC000440595534 387361045 /nfs/dbraw/zinc/36/10/45/387361045.db2.gz NTIUPUPCUFTRIA-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@H](F)COc1cc([N+](=O)[O-])ccc1C ZINC000440595535 387372540 /nfs/dbraw/zinc/37/25/40/387372540.db2.gz NTIUPUPCUFTRIA-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN CCc1ccc(OC[C@@H](F)CC)c([N+](=O)[O-])c1 ZINC000440596523 398329370 /nfs/dbraw/zinc/32/93/70/398329370.db2.gz QQVBBLVFJXQCOI-JTQLQIEISA-N 0 0 241.262 3.284 20 5 BGBDRN CCc1ccc(OC[C@H](F)CC)c([N+](=O)[O-])c1 ZINC000440596532 398329363 /nfs/dbraw/zinc/32/93/63/398329363.db2.gz QQVBBLVFJXQCOI-SNVBAGLBSA-N 0 0 241.262 3.284 20 5 BGBDRN CC[C@@H](F)COc1cccc([N+](=O)[O-])c1C ZINC000440600052 583924094 /nfs/dbraw/zinc/92/40/94/583924094.db2.gz RALOTOYGWUMRMP-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN CC[C@H](F)COc1cccc([N+](=O)[O-])c1C ZINC000440600054 541431245 /nfs/dbraw/zinc/43/12/45/541431245.db2.gz RALOTOYGWUMRMP-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN O=[N+]([O-])c1ccccc1CSc1ccncc1 ZINC000440782404 387619889 /nfs/dbraw/zinc/61/98/89/387619889.db2.gz KJYXRIGOWYUUMW-UHFFFAOYSA-N 0 0 246.291 3.282 20 5 BGBDRN CC[C@@H](F)Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000441845406 387943097 /nfs/dbraw/zinc/94/30/97/387943097.db2.gz RLBDXBORTHLDGZ-SECBINFHSA-N 0 0 236.246 3.298 20 5 BGBDRN CC[C@H](F)Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000441845407 201564324 /nfs/dbraw/zinc/56/43/24/201564324.db2.gz RLBDXBORTHLDGZ-VIFPVBQESA-N 0 0 236.246 3.298 20 5 BGBDRN CC[C@H](F)CNc1cc([N+](=O)[O-])c(C)cc1C ZINC000442130078 201566790 /nfs/dbraw/zinc/56/67/90/201566790.db2.gz XFOCIEJORQWDLQ-JTQLQIEISA-N 0 0 240.278 3.372 20 5 BGBDRN CC[C@@H](F)CNc1cc([N+](=O)[O-])c(C)cc1C ZINC000442130079 387366724 /nfs/dbraw/zinc/36/67/24/387366724.db2.gz XFOCIEJORQWDLQ-SNVBAGLBSA-N 0 0 240.278 3.372 20 5 BGBDRN CC[C@H](F)CNc1c(C)ccc([N+](=O)[O-])c1C ZINC000442137136 387378989 /nfs/dbraw/zinc/37/89/89/387378989.db2.gz ZYGSAIDOFWYOIY-JTQLQIEISA-N 0 0 240.278 3.372 20 5 BGBDRN CC[C@@H](F)CNc1c(C)ccc([N+](=O)[O-])c1C ZINC000442137137 201568061 /nfs/dbraw/zinc/56/80/61/201568061.db2.gz ZYGSAIDOFWYOIY-SNVBAGLBSA-N 0 0 240.278 3.372 20 5 BGBDRN CC[C@@H](F)CSc1ccc([N+](=O)[O-])cc1 ZINC000442540226 388354501 /nfs/dbraw/zinc/35/45/01/388354501.db2.gz IRDMCOSOUWLXAF-MRVPVSSYSA-N 0 0 229.276 3.435 20 5 BGBDRN CC[C@H](F)CSc1ccc([N+](=O)[O-])cc1 ZINC000442540228 388354072 /nfs/dbraw/zinc/35/40/72/388354072.db2.gz IRDMCOSOUWLXAF-QMMMGPOBSA-N 0 0 229.276 3.435 20 5 BGBDRN Cc1cc(N2CCCC23CCC3)ccc1[N+](=O)[O-] ZINC000443961739 388419854 /nfs/dbraw/zinc/41/98/54/388419854.db2.gz KFFRTYFKXOCSNU-UHFFFAOYSA-N 0 0 246.310 3.426 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC23CCC3)c1 ZINC000443972333 398084812 /nfs/dbraw/zinc/08/48/12/398084812.db2.gz XGFXQYFVRIZOCG-UHFFFAOYSA-N 0 0 246.310 3.426 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[C@H](C)C2)n1 ZINC000444005505 193033638 /nfs/dbraw/zinc/03/36/38/193033638.db2.gz WYXQBTUTLGSWHI-GZMMTYOYSA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[C@@H](C)C2)n1 ZINC000444005506 191110744 /nfs/dbraw/zinc/11/07/44/191110744.db2.gz WYXQBTUTLGSWHI-KCJUWKMLSA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[C@H](C)C2)n1 ZINC000444005507 191111104 /nfs/dbraw/zinc/11/11/04/191111104.db2.gz WYXQBTUTLGSWHI-KWQFWETISA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[C@@H](C)C2)n1 ZINC000444005508 191110704 /nfs/dbraw/zinc/11/07/04/191110704.db2.gz WYXQBTUTLGSWHI-LDYMZIIASA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1ccc(Sc2ncco2)c([N+](=O)[O-])c1 ZINC000444867192 388589945 /nfs/dbraw/zinc/58/99/45/388589945.db2.gz DFWIKYNDVKLLQT-UHFFFAOYSA-N 0 0 236.252 3.042 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(Sc2ncco2)c1 ZINC000444867776 388590062 /nfs/dbraw/zinc/59/00/62/388590062.db2.gz AQFXFLYKRWOMFR-UHFFFAOYSA-N 0 0 236.252 3.042 20 5 BGBDRN CC1(C)CCCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000445674028 206086404 /nfs/dbraw/zinc/08/64/04/206086404.db2.gz QWYMGVZADQENPJ-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN CCC1(CC)CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000446835613 201698106 /nfs/dbraw/zinc/69/81/06/201698106.db2.gz LYFXFFFSRUAZQM-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN CCC1(CC)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000446836438 388734223 /nfs/dbraw/zinc/73/42/23/388734223.db2.gz QWGVKXXKDVXSNH-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCC2CC2)c1 ZINC000446882748 388734336 /nfs/dbraw/zinc/73/43/36/388734336.db2.gz BQSMADITALJBCC-UHFFFAOYSA-N 0 0 234.299 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N(C)C2CCCC2)c1 ZINC000446886183 388734216 /nfs/dbraw/zinc/73/42/16/388734216.db2.gz DLKMIQWNBTYAFA-UHFFFAOYSA-N 0 0 234.299 3.282 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccoc2)c1 ZINC000446896221 388734065 /nfs/dbraw/zinc/73/40/65/388734065.db2.gz KQHWAPOSQDXJII-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN CCN(c1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC000446906587 388733929 /nfs/dbraw/zinc/73/39/29/388733929.db2.gz OYSQUPNQFGKNDL-UHFFFAOYSA-N 0 0 222.288 3.138 20 5 BGBDRN CC[C@@H]1CCCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000447044104 388734801 /nfs/dbraw/zinc/73/48/01/388734801.db2.gz HXMZPAAHZOPUEW-LLVKDONJSA-N 0 0 234.299 3.282 20 5 BGBDRN CC[C@H]1CCCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000447044105 388735031 /nfs/dbraw/zinc/73/50/31/388735031.db2.gz HXMZPAAHZOPUEW-NSHDSACASA-N 0 0 234.299 3.282 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H]2C)c1 ZINC000447045236 388734739 /nfs/dbraw/zinc/73/47/39/388734739.db2.gz VDGHQZSULYYEST-GHMZBOCLSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H]2C)c1 ZINC000447045237 388735115 /nfs/dbraw/zinc/73/51/15/388735115.db2.gz VDGHQZSULYYEST-MNOVXSKESA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H]2C)c1 ZINC000447045238 201703268 /nfs/dbraw/zinc/70/32/68/201703268.db2.gz VDGHQZSULYYEST-QWRGUYRKSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H]2C)c1 ZINC000447045239 201704990 /nfs/dbraw/zinc/70/49/90/201704990.db2.gz VDGHQZSULYYEST-WDEREUQCSA-N 0 0 234.299 3.138 20 5 BGBDRN CC(C)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000447050705 201705092 /nfs/dbraw/zinc/70/50/92/201705092.db2.gz OYVXCYLNZMYNPL-LLVKDONJSA-N 0 0 234.299 3.077 20 5 BGBDRN CC(C)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000447050706 201704285 /nfs/dbraw/zinc/70/42/85/201704285.db2.gz OYVXCYLNZMYNPL-NSHDSACASA-N 0 0 234.299 3.077 20 5 BGBDRN CC[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000447055599 388734750 /nfs/dbraw/zinc/73/47/50/388734750.db2.gz HHEFLZMKUDDDNO-LLVKDONJSA-N 0 0 234.299 3.140 20 5 BGBDRN CC[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000447055600 388734756 /nfs/dbraw/zinc/73/47/56/388734756.db2.gz HHEFLZMKUDDDNO-NSHDSACASA-N 0 0 234.299 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(C)C)C2)c1 ZINC000447057763 388735353 /nfs/dbraw/zinc/73/53/53/388735353.db2.gz GENCEUOXUJSVMU-GFCCVEGCSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(C)C)C2)c1 ZINC000447057765 201704463 /nfs/dbraw/zinc/70/44/63/201704463.db2.gz GENCEUOXUJSVMU-LBPRGKRZSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCC23CCC3)c1 ZINC000447071390 388734843 /nfs/dbraw/zinc/73/48/43/388734843.db2.gz XZEDIKMMXOXXLM-UHFFFAOYSA-N 0 0 232.283 3.036 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@H]2C)c1 ZINC000447073246 388734948 /nfs/dbraw/zinc/73/49/48/388734948.db2.gz SQKARLHEEMTTCJ-GHMZBOCLSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@@H]2C)c1 ZINC000447073247 201706942 /nfs/dbraw/zinc/70/69/42/201706942.db2.gz SQKARLHEEMTTCJ-MNOVXSKESA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H]2C)c1 ZINC000447073248 388734789 /nfs/dbraw/zinc/73/47/89/388734789.db2.gz SQKARLHEEMTTCJ-QWRGUYRKSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)C[C@H]2C)c1 ZINC000447073249 388734820 /nfs/dbraw/zinc/73/48/20/388734820.db2.gz SQKARLHEEMTTCJ-WDEREUQCSA-N 0 0 234.299 3.138 20 5 BGBDRN CC(C)=CCSc1nccc(C)c1[N+](=O)[O-] ZINC000447685952 490291276 /nfs/dbraw/zinc/29/12/76/490291276.db2.gz CBGMHFVLPSAGPY-UHFFFAOYSA-N 0 0 238.312 3.357 20 5 BGBDRN CC(C)=CCSc1ncc([N+](=O)[O-])cc1C ZINC000447689093 490290993 /nfs/dbraw/zinc/29/09/93/490290993.db2.gz JXVSNOACOPBNHV-UHFFFAOYSA-N 0 0 238.312 3.357 20 5 BGBDRN CC(C)=CCSc1ncc(C)cc1[N+](=O)[O-] ZINC000447689376 490291324 /nfs/dbraw/zinc/29/13/24/490291324.db2.gz POKOUFHOSYNMNJ-UHFFFAOYSA-N 0 0 238.312 3.357 20 5 BGBDRN CC(C)=CCSc1ccc([N+](=O)[O-])c(C)n1 ZINC000447690843 490291313 /nfs/dbraw/zinc/29/13/13/490291313.db2.gz LXGPSHGNBZLNGL-UHFFFAOYSA-N 0 0 238.312 3.357 20 5 BGBDRN CC(C)=CCSc1cc(C)c([N+](=O)[O-])cn1 ZINC000447692558 490291066 /nfs/dbraw/zinc/29/10/66/490291066.db2.gz GIGSGBWDQGSTGG-UHFFFAOYSA-N 0 0 238.312 3.357 20 5 BGBDRN CC(C)=CCSc1nc(C)ccc1[N+](=O)[O-] ZINC000447692623 388737550 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/nfs/dbraw/zinc/68/45/13/386684513.db2.gz GDGTWMMXDWKQEE-QPJJXVBHSA-N 0 0 249.226 3.051 20 5 BGBDRN CC/C(C)=C\c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000453255088 386702598 /nfs/dbraw/zinc/70/25/98/386702598.db2.gz KKBIHGPSCZVOPM-SREVYHEPSA-N 0 0 249.226 3.051 20 5 BGBDRN Cc1c(-c2noc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000453263191 386711159 /nfs/dbraw/zinc/71/11/59/386711159.db2.gz ULHNMMWFIYMCEG-UHFFFAOYSA-N 0 0 247.254 3.077 20 5 BGBDRN Cc1cc(-c2noc(C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000453282295 386726079 /nfs/dbraw/zinc/72/60/79/386726079.db2.gz DNWPNBJQSWZHCQ-UHFFFAOYSA-N 0 0 247.254 3.077 20 5 BGBDRN CCC1(C)CN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000459633242 203324417 /nfs/dbraw/zinc/32/44/17/203324417.db2.gz LJGGQBFXAPSTQW-UHFFFAOYSA-N 0 0 248.326 3.135 20 5 BGBDRN Cc1cc(N(C)CC(C)C)c(F)cc1[N+](=O)[O-] ZINC000461780664 366382278 /nfs/dbraw/zinc/38/22/78/366382278.db2.gz YCPFZZUXQPGQOF-UHFFFAOYSA-N 0 0 240.278 3.135 20 5 BGBDRN CCN(c1cc(C)c([N+](=O)[O-])cc1F)C(C)C ZINC000461782844 366439599 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/nfs/dbraw/zinc/73/09/11/388730911.db2.gz VMSSIZVMCLPOFT-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN CC/C=C\CCOc1cccc([N+](=O)[O-])c1 ZINC000464554333 388735614 /nfs/dbraw/zinc/73/56/14/388735614.db2.gz VUGYYAZEQJFINK-ARJAWSKDSA-N 0 0 221.256 3.330 20 5 BGBDRN CC/C=C/CCOc1cccc([N+](=O)[O-])c1 ZINC000464554334 388735882 /nfs/dbraw/zinc/73/58/82/388735882.db2.gz VUGYYAZEQJFINK-ONEGZZNKSA-N 0 0 221.256 3.330 20 5 BGBDRN CC/C=C\CCOc1ccc([N+](=O)[O-])cc1 ZINC000464555059 528791540 /nfs/dbraw/zinc/79/15/40/528791540.db2.gz XUOFWOHPLKASCK-ARJAWSKDSA-N 0 0 221.256 3.330 20 5 BGBDRN CC/C=C/CCOc1ccc([N+](=O)[O-])cc1 ZINC000464555060 528773122 /nfs/dbraw/zinc/77/31/22/528773122.db2.gz XUOFWOHPLKASCK-ONEGZZNKSA-N 0 0 221.256 3.330 20 5 BGBDRN CC/C=C\CCOc1ccccc1[N+](=O)[O-] ZINC000464556241 388736054 /nfs/dbraw/zinc/73/60/54/388736054.db2.gz ZIEJDHFKWDAKAU-ARJAWSKDSA-N 0 0 221.256 3.330 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000465052232 490291138 /nfs/dbraw/zinc/29/11/38/490291138.db2.gz INVCUOQBFUWGHI-RYUDHWBXSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000465052233 490291295 /nfs/dbraw/zinc/29/12/95/490291295.db2.gz INVCUOQBFUWGHI-TXEJJXNPSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000465052234 490290941 /nfs/dbraw/zinc/29/09/41/490290941.db2.gz INVCUOQBFUWGHI-VXGBXAGGSA-N 0 0 246.310 3.140 20 5 BGBDRN CC[C@@H](C)CSc1ncc(C)cc1[N+](=O)[O-] ZINC000465059474 398313069 /nfs/dbraw/zinc/31/30/69/398313069.db2.gz NZTPGPGFPHLVMO-MRVPVSSYSA-N 0 0 240.328 3.436 20 5 BGBDRN CC[C@H](C)CSc1ncc(C)cc1[N+](=O)[O-] ZINC000465059475 398313266 /nfs/dbraw/zinc/31/32/66/398313266.db2.gz NZTPGPGFPHLVMO-QMMMGPOBSA-N 0 0 240.328 3.436 20 5 BGBDRN CC/C=C\CCOc1ccc([N+](=O)[O-])cc1F ZINC000466481687 388745318 /nfs/dbraw/zinc/74/53/18/388745318.db2.gz NHEFOZIXFLGDMJ-ARJAWSKDSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C/CCOc1ccc([N+](=O)[O-])cc1F ZINC000466481695 528773234 /nfs/dbraw/zinc/77/32/34/528773234.db2.gz NHEFOZIXFLGDMJ-ONEGZZNKSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C\CCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000466491268 388745793 /nfs/dbraw/zinc/74/57/93/388745793.db2.gz UHFODEGTPKJBTF-ARJAWSKDSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C/CCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000466491269 388745918 /nfs/dbraw/zinc/74/59/18/388745918.db2.gz UHFODEGTPKJBTF-ONEGZZNKSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C\CCOc1c(F)cccc1[N+](=O)[O-] ZINC000466493591 388745692 /nfs/dbraw/zinc/74/56/92/388745692.db2.gz UGGLCRMHSQWCKA-ARJAWSKDSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C\CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000466496845 388745704 /nfs/dbraw/zinc/74/57/04/388745704.db2.gz MHJURHHTCJNEKY-ARJAWSKDSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C/CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000466496846 528773915 /nfs/dbraw/zinc/77/39/15/528773915.db2.gz MHJURHHTCJNEKY-ONEGZZNKSA-N 0 0 239.246 3.469 20 5 BGBDRN CC[C@@H]1C[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000466646872 388747084 /nfs/dbraw/zinc/74/70/84/388747084.db2.gz FTNZJVOPEPOKEQ-GHMZBOCLSA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@H]1C[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000466646873 529316612 /nfs/dbraw/zinc/31/66/12/529316612.db2.gz FTNZJVOPEPOKEQ-MNOVXSKESA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@H]1C[C@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000466646874 388746424 /nfs/dbraw/zinc/74/64/24/388746424.db2.gz FTNZJVOPEPOKEQ-QWRGUYRKSA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@@H]1C[C@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000466646875 388746765 /nfs/dbraw/zinc/74/67/65/388746765.db2.gz FTNZJVOPEPOKEQ-WDEREUQCSA-N 0 0 234.299 3.220 20 5 BGBDRN CC(C)C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000467014531 528597325 /nfs/dbraw/zinc/59/73/25/528597325.db2.gz OAVQPOZEFQCBNR-GFCCVEGCSA-N 0 0 248.326 3.467 20 5 BGBDRN CC(C)C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000467014532 528388760 /nfs/dbraw/zinc/38/87/60/528388760.db2.gz OAVQPOZEFQCBNR-LBPRGKRZSA-N 0 0 248.326 3.467 20 5 BGBDRN CC[C@]1(C)CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000467460639 529401067 /nfs/dbraw/zinc/40/10/67/529401067.db2.gz VSRKGYXWRDYHFP-CYBMUJFWSA-N 0 0 234.299 3.221 20 5 BGBDRN CC[C@@]1(C)CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000467460640 529528041 /nfs/dbraw/zinc/52/80/41/529528041.db2.gz VSRKGYXWRDYHFP-ZDUSSCGKSA-N 0 0 234.299 3.221 20 5 BGBDRN Cc1nc(SCCC(C)C)ccc1[N+](=O)[O-] ZINC000471054931 534528822 /nfs/dbraw/zinc/52/88/22/534528822.db2.gz DZVFSHKXSPXTOQ-UHFFFAOYSA-N 0 0 240.328 3.436 20 5 BGBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000474180551 225112949 /nfs/dbraw/zinc/11/29/49/225112949.db2.gz ZINYZUZGMGDTTA-JTQLQIEISA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@H]1CN(c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000474180556 533982922 /nfs/dbraw/zinc/98/29/22/533982922.db2.gz ZINYZUZGMGDTTA-SNVBAGLBSA-N 0 0 234.299 3.220 20 5 BGBDRN COc1cc(O[C@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000475874378 533095457 /nfs/dbraw/zinc/09/54/57/533095457.db2.gz NQHOYHRIAJSIGI-JTQLQIEISA-N 0 0 249.266 3.091 20 5 BGBDRN COc1cc(O[C@@H]2C=CCCC2)ccc1[N+](=O)[O-] ZINC000475874379 533095434 /nfs/dbraw/zinc/09/54/34/533095434.db2.gz NQHOYHRIAJSIGI-SNVBAGLBSA-N 0 0 249.266 3.091 20 5 BGBDRN CC[C@@H](C)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000475877178 529330184 /nfs/dbraw/zinc/33/01/84/529330184.db2.gz UAIXWMOEAKMGOL-SECBINFHSA-N 0 0 239.271 3.028 20 5 BGBDRN CC[C@H](C)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000475877179 529671954 /nfs/dbraw/zinc/67/19/54/529671954.db2.gz UAIXWMOEAKMGOL-VIFPVBQESA-N 0 0 239.271 3.028 20 5 BGBDRN CCCCCOc1ccc([N+](=O)[O-])c(OC)c1 ZINC000475888722 528237221 /nfs/dbraw/zinc/23/72/21/528237221.db2.gz NOVFWGVFIBFRFW-UHFFFAOYSA-N 0 0 239.271 3.172 20 5 BGBDRN CC(C)=CCCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000477952522 527408067 /nfs/dbraw/zinc/40/80/67/527408067.db2.gz WXAMQWRFUKARGH-UHFFFAOYSA-N 0 0 249.314 3.375 20 5 BGBDRN CCCCOc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000478722551 528690242 /nfs/dbraw/zinc/69/02/42/528690242.db2.gz VPZJMVOKXLMLJR-UHFFFAOYSA-N 0 0 239.271 3.172 20 5 BGBDRN CCCCOc1cc(C)c([N+](=O)[O-])cc1F ZINC000478907888 528653229 /nfs/dbraw/zinc/65/32/29/528653229.db2.gz NJAMDWWYHXPCMX-UHFFFAOYSA-N 0 0 227.235 3.221 20 5 BGBDRN CCCCCOc1ccc(OC)c([N+](=O)[O-])c1 ZINC000479406837 528235744 /nfs/dbraw/zinc/23/57/44/528235744.db2.gz AHOPHIAXMVFRNB-UHFFFAOYSA-N 0 0 239.271 3.172 20 5 BGBDRN O=[N+]([O-])c1ccc(OCCCF)c2ccccc21 ZINC000479940906 225195239 /nfs/dbraw/zinc/19/52/39/225195239.db2.gz ORDPGRQLFGCLEQ-UHFFFAOYSA-N 0 0 249.241 3.486 20 5 BGBDRN Cc1nn(CCC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000479944084 225195266 /nfs/dbraw/zinc/19/52/66/225195266.db2.gz YDDWYGKQTLKKOB-UHFFFAOYSA-N 0 0 247.298 3.299 20 5 BGBDRN CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000479958811 533055278 /nfs/dbraw/zinc/05/52/78/533055278.db2.gz PHYLNYJWBFFRHX-UHFFFAOYSA-N 0 0 243.266 3.380 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CC(C2CCCC2)C1 ZINC000480844304 225209331 /nfs/dbraw/zinc/20/93/31/225209331.db2.gz JQFHRADTMMVLIT-UHFFFAOYSA-N 0 0 246.310 3.221 20 5 BGBDRN CC1=C(C)CN(c2ccccc2[N+](=O)[O-])CC1 ZINC000481074280 528091744 /nfs/dbraw/zinc/09/17/44/528091744.db2.gz DIUYSVUVZNOPIW-UHFFFAOYSA-N 0 0 232.283 3.141 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(C)=C(C)C2)c1 ZINC000481092323 534326032 /nfs/dbraw/zinc/32/60/32/534326032.db2.gz OTTOAMCYVOWMAG-UHFFFAOYSA-N 0 0 246.310 3.450 20 5 BGBDRN Cc1cc(N2CCC(C)=C(C)C2)ccc1[N+](=O)[O-] ZINC000481092594 225212523 /nfs/dbraw/zinc/21/25/23/225212523.db2.gz PJTPBNPFHBNEET-UHFFFAOYSA-N 0 0 246.310 3.450 20 5 BGBDRN Cc1cc(N2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000485407984 225254495 /nfs/dbraw/zinc/25/44/95/225254495.db2.gz LUKRHXVJNNKULE-JTQLQIEISA-N 0 0 246.310 3.306 20 5 BGBDRN Cc1cc(N2CC(C)=C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000485407993 225254641 /nfs/dbraw/zinc/25/46/41/225254641.db2.gz LUKRHXVJNNKULE-SNVBAGLBSA-N 0 0 246.310 3.306 20 5 BGBDRN Cc1ccc(N[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000485422276 225254134 /nfs/dbraw/zinc/25/41/34/225254134.db2.gz JHPTUYLAIAOEPA-CMPLNLGQSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1cc(N[C@@H]2C[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000485433037 225254002 /nfs/dbraw/zinc/25/40/02/225254002.db2.gz CNKHFFLFWMYZLP-NWDGAFQWSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2C2CC2)c1 ZINC000485433227 534330194 /nfs/dbraw/zinc/33/01/94/534330194.db2.gz DMOOFAUUWARLRN-WDEREUQCSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)=C[C@@H](C)C2)c1 ZINC000485445192 534325523 /nfs/dbraw/zinc/32/55/23/534325523.db2.gz ZIYDCZPJBFPDAZ-LLVKDONJSA-N 0 0 246.310 3.306 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)=C[C@H](C)C2)c1 ZINC000485445193 534325258 /nfs/dbraw/zinc/32/52/58/534325258.db2.gz ZIYDCZPJBFPDAZ-NSHDSACASA-N 0 0 246.310 3.306 20 5 BGBDRN CCCCNc1cc([N+](=O)[O-])ccc1OCC ZINC000486174243 528557669 /nfs/dbraw/zinc/55/76/69/528557669.db2.gz XIMAXSJRKBYMOX-UHFFFAOYSA-N 0 0 238.287 3.206 20 5 BGBDRN Cc1cc(N[C@H]2[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000486461783 225264891 /nfs/dbraw/zinc/26/48/91/225264891.db2.gz CMPWNIMTVVKHDV-PJXYFTJBSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1cc(N[C@@H]2[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000486461786 225265249 /nfs/dbraw/zinc/26/52/49/225265249.db2.gz CMPWNIMTVVKHDV-PTEHBNRSSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1ccc(N[C@@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000486484755 225265913 /nfs/dbraw/zinc/26/59/13/225265913.db2.gz FZMHYEABAJAHQR-DDFAGTSDSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000486484757 225266134 /nfs/dbraw/zinc/26/61/34/225266134.db2.gz FZMHYEABAJAHQR-IWIIMEHWSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000486485103 534329192 /nfs/dbraw/zinc/32/91/92/534329192.db2.gz VGKGMQPJVYGSJM-DDFAGTSDSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000486485104 534330186 /nfs/dbraw/zinc/33/01/86/534330186.db2.gz VGKGMQPJVYGSJM-IWIIMEHWSA-N 0 0 232.283 3.114 20 5 BGBDRN Cc1cc(N2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000487154253 225289191 /nfs/dbraw/zinc/28/91/91/225289191.db2.gz WEOOCDVKIQPGPQ-GFCCVEGCSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cc(N2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000487154255 225289149 /nfs/dbraw/zinc/28/91/49/225289149.db2.gz WEOOCDVKIQPGPQ-LBPRGKRZSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C3CC3)C2)c1 ZINC000487177782 534325283 /nfs/dbraw/zinc/32/52/83/534325283.db2.gz HUUCHSFJMGVIJA-GFCCVEGCSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C3CC3)C2)c1 ZINC000487177783 534325777 /nfs/dbraw/zinc/32/57/77/534325777.db2.gz HUUCHSFJMGVIJA-LBPRGKRZSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C2CC2)C1 ZINC000487178512 225289946 /nfs/dbraw/zinc/28/99/46/225289946.db2.gz KYXXRTCQHHDTCP-GFCCVEGCSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C2CC2)C1 ZINC000487178513 225290867 /nfs/dbraw/zinc/29/08/67/225290867.db2.gz KYXXRTCQHHDTCP-LBPRGKRZSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1ccoc1CN(C)c1ccccc1[N+](=O)[O-] ZINC000488754444 398284634 /nfs/dbraw/zinc/28/46/34/398284634.db2.gz UKJKFGZAPZJKTE-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN CC[C@@H]1CCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000489060325 388674670 /nfs/dbraw/zinc/67/46/70/388674670.db2.gz YRODQCSZRQGVIB-SECBINFHSA-N 0 0 238.262 3.031 20 5 BGBDRN CC[C@H]1CCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000489060326 388674407 /nfs/dbraw/zinc/67/44/07/388674407.db2.gz YRODQCSZRQGVIB-VIFPVBQESA-N 0 0 238.262 3.031 20 5 BGBDRN CC[C@@H]1CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489073532 388676075 /nfs/dbraw/zinc/67/60/75/388676075.db2.gz LQJDVUUWFPMHIW-SECBINFHSA-N 0 0 240.690 3.237 20 5 BGBDRN CC[C@H]1CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489073555 388676780 /nfs/dbraw/zinc/67/67/80/388676780.db2.gz LQJDVUUWFPMHIW-VIFPVBQESA-N 0 0 240.690 3.237 20 5 BGBDRN Cc1c(C[N@@H+](C)[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000489460976 388730211 /nfs/dbraw/zinc/73/02/11/388730211.db2.gz DSXMZUKCVNTIQE-CYBMUJFWSA-N 0 0 248.326 3.134 20 5 BGBDRN Cc1c(C[N@@H+](C)[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000489460977 388729486 /nfs/dbraw/zinc/72/94/86/388729486.db2.gz DSXMZUKCVNTIQE-ZDUSSCGKSA-N 0 0 248.326 3.134 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC3(C2)CCCC3)c1 ZINC000489892509 388842919 /nfs/dbraw/zinc/84/29/19/388842919.db2.gz ABMJBKSERSLTDQ-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN Cc1cc(N2CC3(C2)CCCC3)ccc1[N+](=O)[O-] ZINC000489954516 388844102 /nfs/dbraw/zinc/84/41/02/388844102.db2.gz PKVRLZMRAWVHQE-UHFFFAOYSA-N 0 0 246.310 3.284 20 5 BGBDRN Cc1cc(N2CC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000490025889 388845826 /nfs/dbraw/zinc/84/58/26/388845826.db2.gz KUGXKQSVYMSOMD-BXUZGUMPSA-N 0 0 246.310 3.282 20 5 BGBDRN Cc1cc(N2CC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000490025890 388845540 /nfs/dbraw/zinc/84/55/40/388845540.db2.gz KUGXKQSVYMSOMD-FZMZJTMJSA-N 0 0 246.310 3.282 20 5 BGBDRN Cc1cc(N2CC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000490025891 388846491 /nfs/dbraw/zinc/84/64/91/388846491.db2.gz KUGXKQSVYMSOMD-RISCZKNCSA-N 0 0 246.310 3.282 20 5 BGBDRN Cc1cc(N2CC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000490025892 225502329 /nfs/dbraw/zinc/50/23/29/225502329.db2.gz KUGXKQSVYMSOMD-SMDDNHRTSA-N 0 0 246.310 3.282 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CCC[C@@H]32)c1 ZINC000490034146 534325543 /nfs/dbraw/zinc/32/55/43/534325543.db2.gz RGPBHNDAKINPKU-NEPJUHHUSA-N 0 0 246.310 3.282 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CCC[C@H]32)c1 ZINC000490034147 388846486 /nfs/dbraw/zinc/84/64/86/388846486.db2.gz RGPBHNDAKINPKU-NWDGAFQWSA-N 0 0 246.310 3.282 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000490034149 388846076 /nfs/dbraw/zinc/84/60/76/388846076.db2.gz RGPBHNDAKINPKU-RYUDHWBXSA-N 0 0 246.310 3.282 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CCC[C@H]32)c1 ZINC000490034151 534326298 /nfs/dbraw/zinc/32/62/98/534326298.db2.gz RGPBHNDAKINPKU-VXGBXAGGSA-N 0 0 246.310 3.282 20 5 BGBDRN CCOc1cc(CSCC)ccc1[N+](=O)[O-] ZINC000491860826 388351464 /nfs/dbraw/zinc/35/14/64/388351464.db2.gz ALWIBLCCHTUVSY-UHFFFAOYSA-N 0 0 241.312 3.247 20 5 BGBDRN CC(C)=CCOc1ccc(C)cc1[N+](=O)[O-] ZINC000494360459 527446325 /nfs/dbraw/zinc/44/63/25/527446325.db2.gz QVPHUIYRXHYNEU-UHFFFAOYSA-N 0 0 221.256 3.248 20 5 BGBDRN Cc1ccc(OCCC(C)C)c([N+](=O)[O-])c1 ZINC000494412048 226264742 /nfs/dbraw/zinc/26/47/42/226264742.db2.gz HGJUWBVEBPHJMQ-UHFFFAOYSA-N 0 0 223.272 3.328 20 5 BGBDRN CCC[C@@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000498815274 528888294 /nfs/dbraw/zinc/88/82/94/528888294.db2.gz VSTGOYKXLHSJHL-SECBINFHSA-N 0 0 240.278 3.359 20 5 BGBDRN CCC[C@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000498815275 528049354 /nfs/dbraw/zinc/04/93/54/528049354.db2.gz VSTGOYKXLHSJHL-VIFPVBQESA-N 0 0 240.278 3.359 20 5 BGBDRN CCC[C@H](C)N(C)c1ccccc1[N+](=O)[O-] ZINC000498826175 528049205 /nfs/dbraw/zinc/04/92/05/528049205.db2.gz BIWCBHBNCNMWRN-JTQLQIEISA-N 0 0 222.288 3.220 20 5 BGBDRN CCC[C@@H](C)N(C)c1ccccc1[N+](=O)[O-] ZINC000498826176 528887934 /nfs/dbraw/zinc/88/79/34/528887934.db2.gz BIWCBHBNCNMWRN-SNVBAGLBSA-N 0 0 222.288 3.220 20 5 BGBDRN CC(C)[C@@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000498839692 528406579 /nfs/dbraw/zinc/40/65/79/528406579.db2.gz XHUMVZXTVVMQIJ-SECBINFHSA-N 0 0 240.278 3.215 20 5 BGBDRN CC(C)[C@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000498839693 528959247 /nfs/dbraw/zinc/95/92/47/528959247.db2.gz XHUMVZXTVVMQIJ-VIFPVBQESA-N 0 0 240.278 3.215 20 5 BGBDRN CN(c1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000498918723 530037370 /nfs/dbraw/zinc/03/73/70/530037370.db2.gz MKXWQRMKFBQVCB-UHFFFAOYSA-N 0 0 246.310 3.220 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C(C)C)C1 ZINC000500695067 226326170 /nfs/dbraw/zinc/32/61/70/226326170.db2.gz IFIWCNVBTYVVEP-GFCCVEGCSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C(C)C)C1 ZINC000500695068 226326092 /nfs/dbraw/zinc/32/60/92/226326092.db2.gz IFIWCNVBTYVVEP-LBPRGKRZSA-N 0 0 248.326 3.386 20 5 BGBDRN CCCCCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000501261961 528292317 /nfs/dbraw/zinc/29/23/17/528292317.db2.gz JRDMJCUGKLGKOL-UHFFFAOYSA-N 0 0 247.298 3.443 20 5 BGBDRN CC(C)=Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000505029927 527455468 /nfs/dbraw/zinc/45/54/68/527455468.db2.gz JIGSITORSXKNPL-UHFFFAOYSA-N 0 0 245.238 3.068 20 5 BGBDRN C[C@@H](F)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000505434606 226355127 /nfs/dbraw/zinc/35/51/27/226355127.db2.gz YXOSNMIGQZDCBX-SSDOTTSWSA-N 0 0 247.653 3.375 20 5 BGBDRN C[C@H](F)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000505434610 226354940 /nfs/dbraw/zinc/35/49/40/226354940.db2.gz YXOSNMIGQZDCBX-ZETCQYMHSA-N 0 0 247.653 3.375 20 5 BGBDRN Cc1cc(OCC[C@@H](C)F)ccc1[N+](=O)[O-] ZINC000505472710 226355598 /nfs/dbraw/zinc/35/55/98/226355598.db2.gz COAHHTYMRLNDIM-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1cc(OCC[C@H](C)F)ccc1[N+](=O)[O-] ZINC000505472711 226355662 /nfs/dbraw/zinc/35/56/62/226355662.db2.gz COAHHTYMRLNDIM-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN C[C@@H](F)CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000505473674 226355564 /nfs/dbraw/zinc/35/55/64/226355564.db2.gz KDZLNAOGCLSEKM-SSDOTTSWSA-N 0 0 247.653 3.375 20 5 BGBDRN C[C@H](F)CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000505473675 226355542 /nfs/dbraw/zinc/35/55/42/226355542.db2.gz KDZLNAOGCLSEKM-ZETCQYMHSA-N 0 0 247.653 3.375 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OCC[C@@H](C)F)c1 ZINC000505479794 226355669 /nfs/dbraw/zinc/35/56/69/226355669.db2.gz ITGOZPGCDDAPBJ-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OCC[C@H](C)F)c1 ZINC000505479795 226355627 /nfs/dbraw/zinc/35/56/27/226355627.db2.gz ITGOZPGCDDAPBJ-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1ccc(OCC[C@@H](C)F)c([N+](=O)[O-])c1 ZINC000505482407 226355922 /nfs/dbraw/zinc/35/59/22/226355922.db2.gz YLEYVMBZOWCOSU-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1ccc(OCC[C@H](C)F)c([N+](=O)[O-])c1 ZINC000505482408 226355911 /nfs/dbraw/zinc/35/59/11/226355911.db2.gz YLEYVMBZOWCOSU-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN CCc1ccc(OCC[C@@H](C)F)c([N+](=O)[O-])c1 ZINC000505534575 529695292 /nfs/dbraw/zinc/69/52/92/529695292.db2.gz XLSPMYWWKIIZFJ-SECBINFHSA-N 0 0 241.262 3.284 20 5 BGBDRN CCc1ccc(OCC[C@H](C)F)c([N+](=O)[O-])c1 ZINC000505534576 529695064 /nfs/dbraw/zinc/69/50/64/529695064.db2.gz XLSPMYWWKIIZFJ-VIFPVBQESA-N 0 0 241.262 3.284 20 5 BGBDRN Cc1c(OCC[C@@H](C)F)cccc1[N+](=O)[O-] ZINC000505539580 226356627 /nfs/dbraw/zinc/35/66/27/226356627.db2.gz ICBNZWLUHUDCPJ-MRVPVSSYSA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1c(OCC[C@H](C)F)cccc1[N+](=O)[O-] ZINC000505539581 226356528 /nfs/dbraw/zinc/35/65/28/226356528.db2.gz ICBNZWLUHUDCPJ-QMMMGPOBSA-N 0 0 227.235 3.030 20 5 BGBDRN CCc1ccc(OCCCCF)c([N+](=O)[O-])c1 ZINC000505540014 529695121 /nfs/dbraw/zinc/69/51/21/529695121.db2.gz KKADJYVCWMIVMV-UHFFFAOYSA-N 0 0 241.262 3.286 20 5 BGBDRN Cc1cc(OCC[C@@H](C)F)c(F)cc1[N+](=O)[O-] ZINC000505540434 226356620 /nfs/dbraw/zinc/35/66/20/226356620.db2.gz OGNLCRRMVWIOIK-MRVPVSSYSA-N 0 0 245.225 3.169 20 5 BGBDRN Cc1cc(OCC[C@H](C)F)c(F)cc1[N+](=O)[O-] ZINC000505540435 226356534 /nfs/dbraw/zinc/35/65/34/226356534.db2.gz OGNLCRRMVWIOIK-QMMMGPOBSA-N 0 0 245.225 3.169 20 5 BGBDRN Cc1cc(OCCCCF)c(F)cc1[N+](=O)[O-] ZINC000505541098 226356600 /nfs/dbraw/zinc/35/66/00/226356600.db2.gz VHHHVAQXIITXIB-UHFFFAOYSA-N 0 0 245.225 3.171 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1OCC[C@@H](C)F ZINC000505563902 226357068 /nfs/dbraw/zinc/35/70/68/226357068.db2.gz JRNZRZOKBALLHX-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1OCC[C@H](C)F ZINC000505563903 226357033 /nfs/dbraw/zinc/35/70/33/226357033.db2.gz JRNZRZOKBALLHX-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1ccc(OCC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000505565109 226356942 /nfs/dbraw/zinc/35/69/42/226356942.db2.gz SHRSHUQBOZJDEI-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1ccc(OCC[C@H](C)F)cc1[N+](=O)[O-] ZINC000505565110 226356922 /nfs/dbraw/zinc/35/69/22/226356922.db2.gz SHRSHUQBOZJDEI-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1cccc(OCC[C@@H](C)F)c1[N+](=O)[O-] ZINC000505565600 225117488 /nfs/dbraw/zinc/11/74/88/225117488.db2.gz WBWSDJJXAXMKAY-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1cccc(OCC[C@H](C)F)c1[N+](=O)[O-] ZINC000505565601 225117274 /nfs/dbraw/zinc/11/72/74/225117274.db2.gz WBWSDJJXAXMKAY-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1OCC[C@@H](C)F ZINC000505685266 534345165 /nfs/dbraw/zinc/34/51/65/534345165.db2.gz YKUQULZVHPEVAW-SECBINFHSA-N 0 0 227.235 3.030 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1OCC[C@H](C)F ZINC000505685267 534345246 /nfs/dbraw/zinc/34/52/46/534345246.db2.gz YKUQULZVHPEVAW-VIFPVBQESA-N 0 0 227.235 3.030 20 5 BGBDRN C[C@@H](F)CCn1ccc2c1cccc2[N+](=O)[O-] ZINC000505698656 534279909 /nfs/dbraw/zinc/27/99/09/534279909.db2.gz ADSCOSDYICKKDI-SECBINFHSA-N 0 0 236.246 3.298 20 5 BGBDRN C[C@H](F)CCn1ccc2c1cccc2[N+](=O)[O-] ZINC000505698657 226358759 /nfs/dbraw/zinc/35/87/59/226358759.db2.gz ADSCOSDYICKKDI-VIFPVBQESA-N 0 0 236.246 3.298 20 5 BGBDRN Cc1cc(OCC2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000506416254 226363772 /nfs/dbraw/zinc/36/37/72/226363772.db2.gz MCTXXVYMXYWIRE-UHFFFAOYSA-N 0 0 241.674 3.345 20 5 BGBDRN Cc1cc(OCCCF)c(Cl)cc1[N+](=O)[O-] ZINC000506432444 226363544 /nfs/dbraw/zinc/36/35/44/226363544.db2.gz JNGQKODXHSUPGJ-UHFFFAOYSA-N 0 0 247.653 3.295 20 5 BGBDRN CCCOc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000506435310 528615280 /nfs/dbraw/zinc/61/52/80/528615280.db2.gz ZEOARNAONDTVEM-UHFFFAOYSA-N 0 0 229.663 3.345 20 5 BGBDRN CCCCCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000506445805 528231776 /nfs/dbraw/zinc/23/17/76/528231776.db2.gz SEMPCHYGNAUFSQ-UHFFFAOYSA-N 0 0 244.678 3.212 20 5 BGBDRN CC[C@@H](C)Sc1cccc([N+](=O)[O-])c1 ZINC000509662847 529388514 /nfs/dbraw/zinc/38/85/14/529388514.db2.gz GTIDJUCAYNKKMG-MRVPVSSYSA-N 0 0 211.286 3.485 20 5 BGBDRN CC[C@H](C)Sc1cccc([N+](=O)[O-])c1 ZINC000509662849 529198009 /nfs/dbraw/zinc/19/80/09/529198009.db2.gz GTIDJUCAYNKKMG-QMMMGPOBSA-N 0 0 211.286 3.485 20 5 BGBDRN CCCC[C@@H](CC)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000509800703 528782490 /nfs/dbraw/zinc/78/24/90/528782490.db2.gz AGRVPNJIUGXUCZ-LLVKDONJSA-N 0 0 239.319 3.316 20 5 BGBDRN CCCC[C@H](CC)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000509800704 528914168 /nfs/dbraw/zinc/91/41/68/528914168.db2.gz AGRVPNJIUGXUCZ-NSHDSACASA-N 0 0 239.319 3.316 20 5 BGBDRN CN(CC1CCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000513087234 529865263 /nfs/dbraw/zinc/86/52/63/529865263.db2.gz DESVYPDMUFGXTD-UHFFFAOYSA-N 0 0 249.314 3.006 20 5 BGBDRN O=[N+]([O-])c1ccc(OCC2CCC2)c(Cl)c1 ZINC000513115158 229389636 /nfs/dbraw/zinc/38/96/36/229389636.db2.gz MNCMEVRNEJMOOG-UHFFFAOYSA-N 0 0 241.674 3.427 20 5 BGBDRN CC(C)CSCc1ccc([N+](=O)[O-])cc1 ZINC000513414544 384189700 /nfs/dbraw/zinc/18/97/00/384189700.db2.gz JCMLBKXYDPCNJA-UHFFFAOYSA-N 0 0 225.313 3.484 20 5 BGBDRN CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513698017 384248472 /nfs/dbraw/zinc/24/84/72/384248472.db2.gz VNKXDCULHBJWHL-CHWSQXEVSA-N 0 0 248.326 3.119 20 5 BGBDRN CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513698018 384247807 /nfs/dbraw/zinc/24/78/07/384247807.db2.gz VNKXDCULHBJWHL-OLZOCXBDSA-N 0 0 248.326 3.119 20 5 BGBDRN CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513698019 384247023 /nfs/dbraw/zinc/24/70/23/384247023.db2.gz VNKXDCULHBJWHL-QWHCGFSZSA-N 0 0 248.326 3.119 20 5 BGBDRN Cc1cc(N2C[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000514181114 324109479 /nfs/dbraw/zinc/10/94/79/324109479.db2.gz ZRHDGRBCXFTMPG-GXSJLCMTSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(N2C[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000514181116 324109472 /nfs/dbraw/zinc/10/94/72/324109472.db2.gz ZRHDGRBCXFTMPG-KOLCDFICSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(N2C[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000514181117 324109388 /nfs/dbraw/zinc/10/93/88/324109388.db2.gz ZRHDGRBCXFTMPG-MWLCHTKSSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(N2C[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000514181118 324109264 /nfs/dbraw/zinc/10/92/64/324109264.db2.gz ZRHDGRBCXFTMPG-ONGXEEELSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1cc(N2CC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000514196659 384386331 /nfs/dbraw/zinc/38/63/31/384386331.db2.gz ABERNYYPQFKHPG-GFCCVEGCSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1cc(N2CC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000514196660 384386256 /nfs/dbraw/zinc/38/62/56/384386256.db2.gz ABERNYYPQFKHPG-LBPRGKRZSA-N 0 0 248.326 3.386 20 5 BGBDRN O=[N+]([O-])c1ccc(OCC2CCCC2)c(F)c1 ZINC000514428022 384427552 /nfs/dbraw/zinc/42/75/52/384427552.db2.gz NUGNGOWVWWXPSK-UHFFFAOYSA-N 0 0 239.246 3.303 20 5 BGBDRN CC(C)CCOc1ccc([N+](=O)[O-])cc1F ZINC000514429128 256604696 /nfs/dbraw/zinc/60/46/96/256604696.db2.gz JBVQTGXOAUYHRM-UHFFFAOYSA-N 0 0 227.235 3.159 20 5 BGBDRN O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)cn1 ZINC000514848419 384511627 /nfs/dbraw/zinc/51/16/27/384511627.db2.gz VDOJWSXXIRUACB-UHFFFAOYSA-N 0 0 249.657 3.387 20 5 BGBDRN Cc1ccc(CCNc2ccccc2[N+](=O)[O-])o1 ZINC000515077767 384650252 /nfs/dbraw/zinc/65/02/52/384650252.db2.gz BSBYYURDXNPFSG-UHFFFAOYSA-N 0 0 246.266 3.151 20 5 BGBDRN 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C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C2CCC1CC2 ZINC000516736697 385143018 /nfs/dbraw/zinc/14/30/18/385143018.db2.gz BGJBWAVAOVOLQN-QFWMXSHPSA-N 0 0 246.310 3.283 20 5 BGBDRN Cc1ccc(Sc2ccc([N+](=O)[O-])nc2)cc1 ZINC000516793567 385149542 /nfs/dbraw/zinc/14/95/42/385149542.db2.gz XQKDHBTVGPHHMD-UHFFFAOYSA-N 0 0 246.291 3.449 20 5 BGBDRN Cc1cc(N2[C@H](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000517269625 256821817 /nfs/dbraw/zinc/82/18/17/256821817.db2.gz XLBPUVYSRDNGJA-DTORHVGOSA-N 0 0 238.262 3.029 20 5 BGBDRN Cc1cc(N2[C@@H](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000517269626 385252126 /nfs/dbraw/zinc/25/21/26/385252126.db2.gz XLBPUVYSRDNGJA-IUCAKERBSA-N 0 0 238.262 3.029 20 5 BGBDRN Cc1cc(N2[C@H](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000517269627 256822345 /nfs/dbraw/zinc/82/23/45/256822345.db2.gz XLBPUVYSRDNGJA-RKDXNWHRSA-N 0 0 238.262 3.029 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[C@@H]1F ZINC000517714650 388557475 /nfs/dbraw/zinc/55/74/75/388557475.db2.gz ZCIWNGYTNWQUPC-DTWKUNHWSA-N 0 0 242.225 3.036 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCC3(CC3)CC2)cn1 ZINC000517828323 385636387 /nfs/dbraw/zinc/63/63/87/385636387.db2.gz LSUFMKCKRHDHRL-UHFFFAOYSA-N 0 0 247.298 3.125 20 5 BGBDRN Cc1cc(N(C)[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000518725925 384229338 /nfs/dbraw/zinc/22/93/38/384229338.db2.gz HUSWJRUDAUUEAM-LLVKDONJSA-N 0 0 236.315 3.384 20 5 BGBDRN Cc1cc(N(C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000518725926 384229886 /nfs/dbraw/zinc/22/98/86/384229886.db2.gz HUSWJRUDAUUEAM-NSHDSACASA-N 0 0 236.315 3.384 20 5 BGBDRN Cc1cccc(N2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000519188476 386998003 /nfs/dbraw/zinc/99/80/03/386998003.db2.gz SIWWYOCQTOUOQA-UHFFFAOYSA-N 0 0 232.283 3.060 20 5 BGBDRN Cc1ncc([N+](=O)[O-])c(O[C@@H]2C=CCCC2)c1C ZINC000519547940 386521771 /nfs/dbraw/zinc/52/17/71/386521771.db2.gz IYIYKVVTAYQFRG-LLVKDONJSA-N 0 0 248.282 3.094 20 5 BGBDRN Cc1ncc([N+](=O)[O-])c(O[C@H]2C=CCCC2)c1C ZINC000519548041 386523058 /nfs/dbraw/zinc/52/30/58/386523058.db2.gz IYIYKVVTAYQFRG-NSHDSACASA-N 0 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/nfs/dbraw/zinc/72/46/41/384724641.db2.gz ZEADZPYBEDAPLJ-QMMMGPOBSA-N 0 0 227.235 3.159 20 5 BGBDRN CC[C@@H](C)COc1cc(C)ccc1[N+](=O)[O-] ZINC000538659074 384725893 /nfs/dbraw/zinc/72/58/93/384725893.db2.gz BGWSUASKRASOGC-SECBINFHSA-N 0 0 223.272 3.328 20 5 BGBDRN CC[C@H](C)COc1cc(C)ccc1[N+](=O)[O-] ZINC000538659081 324722086 /nfs/dbraw/zinc/72/20/86/324722086.db2.gz BGWSUASKRASOGC-VIFPVBQESA-N 0 0 223.272 3.328 20 5 BGBDRN CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000540031852 385036624 /nfs/dbraw/zinc/03/66/24/385036624.db2.gz DXMZEJLFPCBPCG-LLVKDONJSA-N 0 0 234.299 3.282 20 5 BGBDRN CC[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000540031854 385036049 /nfs/dbraw/zinc/03/60/49/385036049.db2.gz DXMZEJLFPCBPCG-NSHDSACASA-N 0 0 234.299 3.282 20 5 BGBDRN CCCN(CC)c1ccc([N+](=O)[O-])c(C)c1 ZINC000540035209 324883097 /nfs/dbraw/zinc/88/30/97/324883097.db2.gz JLHUGIYHNPUPRP-UHFFFAOYSA-N 0 0 222.288 3.140 20 5 BGBDRN CC[C@@H]1CC[C@@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000540079025 385038303 /nfs/dbraw/zinc/03/83/03/385038303.db2.gz JZCKQQLQJJJFMN-GHMZBOCLSA-N 0 0 234.299 3.362 20 5 BGBDRN CC[C@H]1CC[C@@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000540079026 324885542 /nfs/dbraw/zinc/88/55/42/324885542.db2.gz JZCKQQLQJJJFMN-MNOVXSKESA-N 0 0 234.299 3.362 20 5 BGBDRN CC[C@H]1CC[C@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000540079027 324885466 /nfs/dbraw/zinc/88/54/66/324885466.db2.gz JZCKQQLQJJJFMN-QWRGUYRKSA-N 0 0 234.299 3.362 20 5 BGBDRN CC[C@@H]1CC[C@H](C)N1c1ccccc1[N+](=O)[O-] ZINC000540079028 385043140 /nfs/dbraw/zinc/04/31/40/385043140.db2.gz JZCKQQLQJJJFMN-WDEREUQCSA-N 0 0 234.299 3.362 20 5 BGBDRN CC[C@@H](C)COc1cccc([N+](=O)[O-])c1 ZINC000540858296 384945127 /nfs/dbraw/zinc/94/51/27/384945127.db2.gz CJQXCAWESSHYHU-SECBINFHSA-N 0 0 209.245 3.020 20 5 BGBDRN CC[C@H](C)COc1cccc([N+](=O)[O-])c1 ZINC000540858304 384949048 /nfs/dbraw/zinc/94/90/48/384949048.db2.gz CJQXCAWESSHYHU-VIFPVBQESA-N 0 0 209.245 3.020 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2CCCCC2)n1 ZINC000541004533 324941336 /nfs/dbraw/zinc/94/13/36/324941336.db2.gz IZTZNPIDWBVANR-UHFFFAOYSA-N 0 0 249.314 3.351 20 5 BGBDRN CC(C)(C)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000541339882 324956509 /nfs/dbraw/zinc/95/65/09/324956509.db2.gz YWQAEZKXXCVDKY-LLVKDONJSA-N 0 0 248.326 3.467 20 5 BGBDRN CC(C)(C)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000541339883 385609013 /nfs/dbraw/zinc/60/90/13/385609013.db2.gz YWQAEZKXXCVDKY-NSHDSACASA-N 0 0 248.326 3.467 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccccc2)n1 ZINC000541932841 324999232 /nfs/dbraw/zinc/99/92/32/324999232.db2.gz YABMWUNYFBASGK-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN O=[N+]([O-])c1ccc2c(c1)N([C@@H]1C=CCCC1)CC2 ZINC000542586331 325035697 /nfs/dbraw/zinc/03/56/97/325035697.db2.gz BSADJRAJFWWFPK-GFCCVEGCSA-N 0 0 244.294 3.066 20 5 BGBDRN O=[N+]([O-])c1ccc2c(c1)N([C@H]1C=CCCC1)CC2 ZINC000542586337 325035731 /nfs/dbraw/zinc/03/57/31/325035731.db2.gz BSADJRAJFWWFPK-LBPRGKRZSA-N 0 0 244.294 3.066 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NCCCC2CC2)n1 ZINC000542864141 325058817 /nfs/dbraw/zinc/05/88/17/325058817.db2.gz JFMXLIIDOYYFLB-UHFFFAOYSA-N 0 0 249.314 3.209 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1-c1noc(C(C)C)n1 ZINC000544739552 325157378 /nfs/dbraw/zinc/15/73/78/325157378.db2.gz NFHIGBRNJJNEHU-UHFFFAOYSA-N 0 0 247.254 3.077 20 5 BGBDRN O=[N+]([O-])c1cccc2c1CCN2[C@@H]1C=CCCC1 ZINC000544756047 325157910 /nfs/dbraw/zinc/15/79/10/325157910.db2.gz AGLCSEGHZKLHSJ-LLVKDONJSA-N 0 0 244.294 3.066 20 5 BGBDRN O=[N+]([O-])c1cccc2c1CCN2[C@H]1C=CCCC1 ZINC000544756048 325158391 /nfs/dbraw/zinc/15/83/91/325158391.db2.gz AGLCSEGHZKLHSJ-NSHDSACASA-N 0 0 244.294 3.066 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1OC1CCCC1 ZINC000545339555 325214430 /nfs/dbraw/zinc/21/44/30/325214430.db2.gz MBCMCIDDTKPJTK-UHFFFAOYSA-N 0 0 221.256 3.225 20 5 BGBDRN CCCCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000545473168 325223846 /nfs/dbraw/zinc/22/38/46/325223846.db2.gz FWJIUANEERBBKE-UHFFFAOYSA-N 0 0 238.287 3.176 20 5 BGBDRN CC(C)=Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000545551903 325228185 /nfs/dbraw/zinc/22/81/85/325228185.db2.gz OLCFBRNGBHPPKO-UHFFFAOYSA-N 0 0 245.238 3.068 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N1CC=C(C)CC1 ZINC000547958103 387533495 /nfs/dbraw/zinc/53/34/95/387533495.db2.gz FRHSEEHCCVFZQT-UHFFFAOYSA-N 0 0 232.283 3.060 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NCC2CC(C)(C)C2)n1 ZINC000548036789 325422545 /nfs/dbraw/zinc/42/25/45/325422545.db2.gz ODXUCGGHIVDZJU-UHFFFAOYSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1ccnc(NCC2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000548693384 388367080 /nfs/dbraw/zinc/36/70/80/388367080.db2.gz RUARNUBYLOTPDT-UHFFFAOYSA-N 0 0 249.314 3.146 20 5 BGBDRN Cc1cccc(N2CCC(C)=C(C)C2)c1[N+](=O)[O-] ZINC000549182339 325498234 /nfs/dbraw/zinc/49/82/34/325498234.db2.gz GNVDXONFLFWTRO-UHFFFAOYSA-N 0 0 246.310 3.450 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CC[C@H](CC2CC2)C1 ZINC000549263746 325499233 /nfs/dbraw/zinc/49/92/33/325499233.db2.gz MCEYEUIVGOOOPP-GFCCVEGCSA-N 0 0 246.310 3.221 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H](CC2CC2)C1 ZINC000549263747 388381197 /nfs/dbraw/zinc/38/11/97/388381197.db2.gz MCEYEUIVGOOOPP-LBPRGKRZSA-N 0 0 246.310 3.221 20 5 BGBDRN Cc1cc(N[C@H]2CCC[C@H]2F)ccc1[N+](=O)[O-] ZINC000549297205 388576892 /nfs/dbraw/zinc/57/68/92/388576892.db2.gz PUZLJPIVZPJNRL-MNOVXSKESA-N 0 0 238.262 3.206 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[C@H]1F ZINC000549297995 325499752 /nfs/dbraw/zinc/49/97/52/325499752.db2.gz ZCIWNGYTNWQUPC-BDAKNGLRSA-N 0 0 242.225 3.036 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]2F)c(F)c1 ZINC000549298133 325499643 /nfs/dbraw/zinc/49/96/43/325499643.db2.gz JSJCOHAJKIYBHZ-WCBMZHEXSA-N 0 0 242.225 3.036 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1F ZINC000549298364 388382070 /nfs/dbraw/zinc/38/20/70/388382070.db2.gz OLLKJEOOOPINQY-ZJUUUORDSA-N 0 0 238.262 3.206 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCC[C@@H]1F ZINC000549298527 325499702 /nfs/dbraw/zinc/49/97/02/325499702.db2.gz WOXGKMDFMNLYLG-IONNQARKSA-N 0 0 242.225 3.036 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2F)c1 ZINC000549299453 388382423 /nfs/dbraw/zinc/38/24/23/388382423.db2.gz RBJQTNFKQMIBFX-ZJUUUORDSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1ccc(N[C@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC000549299996 325499699 /nfs/dbraw/zinc/49/96/99/325499699.db2.gz UKKYZRMMWKOPJS-ZJUUUORDSA-N 0 0 238.262 3.206 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCC[C@H]1F ZINC000549302865 325500056 /nfs/dbraw/zinc/50/00/56/325500056.db2.gz WOXGKMDFMNLYLG-APPZFPTMSA-N 0 0 242.225 3.036 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2F)c1 ZINC000549303322 325500142 /nfs/dbraw/zinc/50/01/42/325500142.db2.gz RBJQTNFKQMIBFX-VHSXEESVSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1cccc(N2CC(C)=C[C@H](C)C2)c1[N+](=O)[O-] ZINC000549563026 388393625 /nfs/dbraw/zinc/39/36/25/388393625.db2.gz DSJFFRPIJKUWAL-JTQLQIEISA-N 0 0 246.310 3.306 20 5 BGBDRN Cc1cccc(N2CC(C)=C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549563027 388393612 /nfs/dbraw/zinc/39/36/12/388393612.db2.gz DSJFFRPIJKUWAL-SNVBAGLBSA-N 0 0 246.310 3.306 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H]2F)c(F)c1 ZINC000549697580 325512357 /nfs/dbraw/zinc/51/23/57/325512357.db2.gz JSJCOHAJKIYBHZ-SCZZXKLOSA-N 0 0 242.225 3.036 20 5 BGBDRN Cc1cccc(N[C@H]2CCC[C@H]2F)c1[N+](=O)[O-] ZINC000549698697 388398726 /nfs/dbraw/zinc/39/87/26/388398726.db2.gz GJCPLVPIWSJJHJ-ZJUUUORDSA-N 0 0 238.262 3.206 20 5 BGBDRN CCc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000550327371 384715678 /nfs/dbraw/zinc/71/56/78/384715678.db2.gz AAXHOCVGURDIKR-UHFFFAOYSA-N 0 0 243.266 3.296 20 5 BGBDRN Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])nc2)c1 ZINC000550327528 384715802 /nfs/dbraw/zinc/71/58/02/384715802.db2.gz CVCGFKXUISACNS-UHFFFAOYSA-N 0 0 244.250 3.399 20 5 BGBDRN Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC000550328507 325529303 /nfs/dbraw/zinc/52/93/03/325529303.db2.gz TZJAUNSZNQJKAI-UHFFFAOYSA-N 0 0 243.266 3.350 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1OCCCCCF ZINC000551059411 384916252 /nfs/dbraw/zinc/91/62/52/384916252.db2.gz OOGXQKRHVNXAHI-UHFFFAOYSA-N 0 0 241.262 3.422 20 5 BGBDRN CC(C)=CCOc1cccc([N+](=O)[O-])c1C ZINC000551060480 325547937 /nfs/dbraw/zinc/54/79/37/325547937.db2.gz IYKLMRSKLYVPPB-UHFFFAOYSA-N 0 0 221.256 3.248 20 5 BGBDRN CC(C)=CCOc1cccc(C)c1[N+](=O)[O-] ZINC000551097462 384926250 /nfs/dbraw/zinc/92/62/50/384926250.db2.gz JPQHMEQZTHXYJO-UHFFFAOYSA-N 0 0 221.256 3.248 20 5 BGBDRN CC(C)=CCOc1ccc([N+](=O)[O-])cc1C ZINC000551098058 384924966 /nfs/dbraw/zinc/92/49/66/384924966.db2.gz WKPRJGCBAQBXCA-UHFFFAOYSA-N 0 0 221.256 3.248 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OCCCCCF)c1 ZINC000551425452 325557132 /nfs/dbraw/zinc/55/71/32/325557132.db2.gz JTZOTVHZUBOJOD-UHFFFAOYSA-N 0 0 241.262 3.422 20 5 BGBDRN Cc1cc(N2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000552387961 325629293 /nfs/dbraw/zinc/62/92/93/325629293.db2.gz GUYRMQIDALCXPX-UHFFFAOYSA-N 0 0 234.299 3.282 20 5 BGBDRN Cc1cc(N2CC(C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000553261235 388589049 /nfs/dbraw/zinc/58/90/49/388589049.db2.gz SYOYSVFEQBWZBR-UHFFFAOYSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C3CCC3)C2)c1 ZINC000553263271 325684158 /nfs/dbraw/zinc/68/41/58/325684158.db2.gz KKRGRRZYOFCBEQ-UHFFFAOYSA-N 0 0 246.310 3.140 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1N[C@@H]1C=CCCC1 ZINC000553445093 388590174 /nfs/dbraw/zinc/59/01/74/388590174.db2.gz GANFRSVQKBVKHH-SECBINFHSA-N 0 0 236.246 3.255 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1N[C@H]1C=CCCC1 ZINC000553445094 388590037 /nfs/dbraw/zinc/59/00/37/388590037.db2.gz GANFRSVQKBVKHH-VIFPVBQESA-N 0 0 236.246 3.255 20 5 BGBDRN CC(C)=CCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000554678761 488030892 /nfs/dbraw/zinc/03/08/92/488030892.db2.gz DPDMZDSTUQFWQB-UHFFFAOYSA-N 0 0 245.282 3.219 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H](F)C2)c1 ZINC000554685053 325733753 /nfs/dbraw/zinc/73/37/53/325733753.db2.gz AXWSWUKZKWPHHE-NXEZZACHSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](F)C2)c1 ZINC000554685055 398292005 /nfs/dbraw/zinc/29/20/05/398292005.db2.gz AXWSWUKZKWPHHE-UWVGGRQHSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H](F)C2)c1 ZINC000554685056 325733698 /nfs/dbraw/zinc/73/36/98/325733698.db2.gz AXWSWUKZKWPHHE-VHSXEESVSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](F)C2)c1 ZINC000554685057 325733540 /nfs/dbraw/zinc/73/35/40/325733540.db2.gz AXWSWUKZKWPHHE-ZJUUUORDSA-N 0 0 238.262 3.206 20 5 BGBDRN C[C@@H](Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000555014993 388689715 /nfs/dbraw/zinc/68/97/15/388689715.db2.gz CCPDGTZNBCHJGL-JTQLQIEISA-N 0 0 237.303 3.008 20 5 BGBDRN C[C@H](Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000555014994 325743456 /nfs/dbraw/zinc/74/34/56/325743456.db2.gz CCPDGTZNBCHJGL-SNVBAGLBSA-N 0 0 237.303 3.008 20 5 BGBDRN CCCC[C@@H](CC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000555039841 388700162 /nfs/dbraw/zinc/70/01/62/388700162.db2.gz CUUNEIGMUHERBH-LLVKDONJSA-N 0 0 239.319 3.316 20 5 BGBDRN CCCC[C@H](CC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000555039842 388707622 /nfs/dbraw/zinc/70/76/22/388707622.db2.gz CUUNEIGMUHERBH-NSHDSACASA-N 0 0 239.319 3.316 20 5 BGBDRN Cc1cccc(N2CC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000555164509 325748886 /nfs/dbraw/zinc/74/88/86/325748886.db2.gz AXTPVNZWQNFBJB-GFCCVEGCSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cccc(N2CC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000555164511 325748813 /nfs/dbraw/zinc/74/88/13/325748813.db2.gz AXTPVNZWQNFBJB-LBPRGKRZSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cccc(N[C@@H]2CC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000555206701 398313794 /nfs/dbraw/zinc/31/37/94/398313794.db2.gz OFTXCLLMJQZDEW-NXEZZACHSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1cccc(N[C@H]2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000555206702 388739140 /nfs/dbraw/zinc/73/91/40/388739140.db2.gz OFTXCLLMJQZDEW-UWVGGRQHSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1cccc(N[C@@H]2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000555206703 325749715 /nfs/dbraw/zinc/74/97/15/325749715.db2.gz OFTXCLLMJQZDEW-VHSXEESVSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1cccc(N[C@H]2CC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000555206704 325749627 /nfs/dbraw/zinc/74/96/27/325749627.db2.gz 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ZINC000577138977 365833937 /nfs/dbraw/zinc/83/39/37/365833937.db2.gz ANWNGXOVXRLZEN-VHSXEESVSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1ccc(N[C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000577138978 365833874 /nfs/dbraw/zinc/83/38/74/365833874.db2.gz ANWNGXOVXRLZEN-ZJUUUORDSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1ccc(OCCCCCF)cc1[N+](=O)[O-] ZINC000577420672 365951283 /nfs/dbraw/zinc/95/12/83/365951283.db2.gz BFBJHTRJLTZISD-UHFFFAOYSA-N 0 0 241.262 3.422 20 5 BGBDRN Cc1cc(Nc2ccc([N+](=O)[O-])nc2)ccc1F ZINC000577539606 365982879 /nfs/dbraw/zinc/98/28/79/365982879.db2.gz WVGOOISZIFHMMX-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN Cc1cccc(N2CCC=C(C)C2)c1[N+](=O)[O-] ZINC000578208522 366394487 /nfs/dbraw/zinc/39/44/87/366394487.db2.gz UFJSFBHQNIHYSC-UHFFFAOYSA-N 0 0 232.283 3.060 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC2(C)C)c1 ZINC000578993150 366689912 /nfs/dbraw/zinc/68/99/12/366689912.db2.gz YDDVFKMEWAETFM-UHFFFAOYSA-N 0 0 234.299 3.282 20 5 BGBDRN Cc1cc(NCC(C)(F)F)c(F)cc1[N+](=O)[O-] ZINC000579499153 366835005 /nfs/dbraw/zinc/83/50/05/366835005.db2.gz CAKWTJVNNKQBLX-UHFFFAOYSA-N 0 0 248.204 3.109 20 5 BGBDRN CCC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000579764090 367002625 /nfs/dbraw/zinc/00/26/25/367002625.db2.gz QJNXVQSZFISDEE-LLVKDONJSA-N 0 0 249.314 3.149 20 5 BGBDRN CCC[C@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000579764091 367001970 /nfs/dbraw/zinc/00/19/70/367001970.db2.gz QJNXVQSZFISDEE-NSHDSACASA-N 0 0 249.314 3.149 20 5 BGBDRN CCN(c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000579990949 397757465 /nfs/dbraw/zinc/75/74/65/397757465.db2.gz XNZUDLJIXCPULS-UHFFFAOYSA-N 0 0 234.299 3.364 20 5 BGBDRN Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1F ZINC000580578278 365789282 /nfs/dbraw/zinc/78/92/82/365789282.db2.gz RSRULJLYLROOPC-UHFFFAOYSA-N 0 0 247.229 3.181 20 5 BGBDRN CCc1ccc([N+](=O)[O-])cc1NC[C@@H](F)CC ZINC000580865878 367189477 /nfs/dbraw/zinc/18/94/77/367189477.db2.gz VNDYTTGNNJORBJ-JTQLQIEISA-N 0 0 240.278 3.317 20 5 BGBDRN CCc1ccc([N+](=O)[O-])cc1NC[C@H](F)CC ZINC000580865879 367189932 /nfs/dbraw/zinc/18/99/32/367189932.db2.gz VNDYTTGNNJORBJ-SNVBAGLBSA-N 0 0 240.278 3.317 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000581178106 367284171 /nfs/dbraw/zinc/28/41/71/367284171.db2.gz DWSVMFMHFJCGRG-GWCFXTLKSA-N 0 0 248.326 3.352 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000581178108 367283446 /nfs/dbraw/zinc/28/34/46/367283446.db2.gz DWSVMFMHFJCGRG-MFKMUULPSA-N 0 0 248.326 3.352 20 5 BGBDRN CC(C)[C@@H](C)Sc1ncc([N+](=O)[O-])cc1F ZINC000581297315 367325228 /nfs/dbraw/zinc/32/52/28/367325228.db2.gz KRMOFYDPVYCLKN-SSDOTTSWSA-N 0 0 244.291 3.266 20 5 BGBDRN CC(C)[C@H](C)Sc1ncc([N+](=O)[O-])cc1F ZINC000581297316 367325257 /nfs/dbraw/zinc/32/52/57/367325257.db2.gz KRMOFYDPVYCLKN-ZETCQYMHSA-N 0 0 244.291 3.266 20 5 BGBDRN Cc1c(OCCCCCF)cccc1[N+](=O)[O-] ZINC000582017844 368157094 /nfs/dbraw/zinc/15/70/94/368157094.db2.gz GLAOZAOOYSHQQC-UHFFFAOYSA-N 0 0 241.262 3.422 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(NC2(CF)CCC2)c1 ZINC000582119086 347385075 /nfs/dbraw/zinc/38/50/75/347385075.db2.gz HHTRXIWDJJJCCY-UHFFFAOYSA-N 0 0 238.262 3.207 20 5 BGBDRN Cc1cccc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC000583157974 357498506 /nfs/dbraw/zinc/49/85/06/357498506.db2.gz GILYDTQJHCMASF-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CCC[C@@H](F)C1 ZINC000583202345 357518242 /nfs/dbraw/zinc/51/82/42/357518242.db2.gz RQAGGVCNKHLPQS-NXEZZACHSA-N 0 0 238.262 3.287 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@H](F)C1 ZINC000583202358 357517999 /nfs/dbraw/zinc/51/79/99/357517999.db2.gz RQAGGVCNKHLPQS-UWVGGRQHSA-N 0 0 238.262 3.287 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CCC[C@H](F)C1 ZINC000583202359 357518301 /nfs/dbraw/zinc/51/83/01/357518301.db2.gz RQAGGVCNKHLPQS-VHSXEESVSA-N 0 0 238.262 3.287 20 5 BGBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@@H](F)C1 ZINC000583202361 357517877 /nfs/dbraw/zinc/51/78/77/357517877.db2.gz RQAGGVCNKHLPQS-ZJUUUORDSA-N 0 0 238.262 3.287 20 5 BGBDRN CC(C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000583213792 357562747 /nfs/dbraw/zinc/56/27/47/357562747.db2.gz OWIGJSVBHWVRNV-UHFFFAOYSA-N 0 0 245.282 3.114 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1NC1(CF)CCC1 ZINC000583378308 344852955 /nfs/dbraw/zinc/85/29/55/344852955.db2.gz OMBUGGLZRCZYCG-UHFFFAOYSA-N 0 0 242.225 3.038 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[C@@H](F)C1 ZINC000583774247 357940863 /nfs/dbraw/zinc/94/08/63/357940863.db2.gz GNLHLISLZPTDHS-NXEZZACHSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@H](F)C1 ZINC000583774248 357940713 /nfs/dbraw/zinc/94/07/13/357940713.db2.gz GNLHLISLZPTDHS-UWVGGRQHSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[C@H](F)C1 ZINC000583774249 357940558 /nfs/dbraw/zinc/94/05/58/357940558.db2.gz GNLHLISLZPTDHS-VHSXEESVSA-N 0 0 238.262 3.206 20 5 BGBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@@H](F)C1 ZINC000583774250 357940273 /nfs/dbraw/zinc/94/02/73/357940273.db2.gz GNLHLISLZPTDHS-ZJUUUORDSA-N 0 0 238.262 3.206 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CCC3(CC3)CC2)nc1 ZINC000583909379 342674720 /nfs/dbraw/zinc/67/47/20/342674720.db2.gz MPTRELZPFICAGR-UHFFFAOYSA-N 0 0 247.298 3.125 20 5 BGBDRN COc1ccc([N+](=O)[O-])c(OCCC(C)C)c1 ZINC000584053146 343308381 /nfs/dbraw/zinc/30/83/81/343308381.db2.gz ZAMRXCIQRIMXKW-UHFFFAOYSA-N 0 0 239.271 3.028 20 5 BGBDRN O=[N+]([O-])c1cccc(Nc2ccccc2O)c1 ZINC000584621732 358289504 /nfs/dbraw/zinc/28/95/04/358289504.db2.gz MVPCUBURINBILV-UHFFFAOYSA-N 0 0 230.223 3.044 20 5 BGBDRN Cc1ccnc(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000584636068 358320395 /nfs/dbraw/zinc/32/03/95/358320395.db2.gz VNLQYPVTELETHI-UHFFFAOYSA-N 0 0 229.239 3.042 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCC2(CCC2)CC1 ZINC000588075825 346629807 /nfs/dbraw/zinc/62/98/07/346629807.db2.gz IRJBKTLFVBFOCF-UHFFFAOYSA-N 0 0 246.310 3.365 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCC[C@@H](C2CC2)C1 ZINC000588854683 344195657 /nfs/dbraw/zinc/19/56/57/344195657.db2.gz GYSTZNZXSPSRML-GFCCVEGCSA-N 0 0 246.310 3.221 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCC[C@H](C2CC2)C1 ZINC000588854684 344195700 /nfs/dbraw/zinc/19/57/00/344195700.db2.gz GYSTZNZXSPSRML-LBPRGKRZSA-N 0 0 246.310 3.221 20 5 BGBDRN CCCCCNc1c(OC)cccc1[N+](=O)[O-] ZINC000589102216 346664814 /nfs/dbraw/zinc/66/48/14/346664814.db2.gz ZDNPUFSZGJLLSK-UHFFFAOYSA-N 0 0 238.287 3.206 20 5 BGBDRN CCN(CCC1CC1)c1ccc([N+](=O)[O-])s1 ZINC000589593364 388115329 /nfs/dbraw/zinc/11/53/29/388115329.db2.gz NLRRJPBXEJPLMP-UHFFFAOYSA-N 0 0 240.328 3.283 20 5 BGBDRN O=C(CCCC1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000589708355 346731366 /nfs/dbraw/zinc/73/13/66/346731366.db2.gz ULJISWZZKBRWEF-UHFFFAOYSA-N 0 0 248.282 3.114 20 5 BGBDRN O=C(CCCC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000589743122 346734543 /nfs/dbraw/zinc/73/45/43/346734543.db2.gz YMWBQZXIFUMEHX-UHFFFAOYSA-N 0 0 248.282 3.114 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCC(C2CC2)CC1 ZINC000589873993 346748783 /nfs/dbraw/zinc/74/87/83/346748783.db2.gz WFQYWIKQKSTWEW-UHFFFAOYSA-N 0 0 246.310 3.221 20 5 BGBDRN O=[N+]([O-])c1ccc(SC2CCC2)c(F)c1 ZINC000590059019 346769293 /nfs/dbraw/zinc/76/92/93/346769293.db2.gz CAKHMYHSXZAXLU-UHFFFAOYSA-N 0 0 227.260 3.379 20 5 BGBDRN CC[C@H]1CC[C@H](Nc2cccnc2[N+](=O)[O-])CC1 ZINC000590061876 346769733 /nfs/dbraw/zinc/76/97/33/346769733.db2.gz GNGQGEILUNVJFD-XYPYZODXSA-N 0 0 249.314 3.371 20 5 BGBDRN O=[N+]([O-])c1cccc(Cl)c1N1CC=CCC1 ZINC000590083180 346770534 /nfs/dbraw/zinc/77/05/34/346770534.db2.gz YBQHOEVABZUORF-UHFFFAOYSA-N 0 0 238.674 3.015 20 5 BGBDRN CC(C)(C)C1CC(Nc2cccnc2[N+](=O)[O-])C1 ZINC000590141764 346779072 /nfs/dbraw/zinc/77/90/72/346779072.db2.gz JWFGXVJFJHMQIA-UHFFFAOYSA-N 0 0 249.314 3.226 20 5 BGBDRN CCC1(CC)CN(c2sccc2[N+](=O)[O-])C1 ZINC000590142489 346778959 /nfs/dbraw/zinc/77/89/59/346778959.db2.gz ATFQDMPKLWMWNJ-UHFFFAOYSA-N 0 0 240.328 3.283 20 5 BGBDRN CC(C)[C@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000590690599 347491386 /nfs/dbraw/zinc/49/13/86/347491386.db2.gz ITUAYYLSCOBQEA-GFCCVEGCSA-N 0 0 249.314 3.005 20 5 BGBDRN CC(C)[C@@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000590690600 347491129 /nfs/dbraw/zinc/49/11/29/347491129.db2.gz ITUAYYLSCOBQEA-LBPRGKRZSA-N 0 0 249.314 3.005 20 5 BGBDRN CC(F)(F)CCNc1ccc([N+](=O)[O-])s1 ZINC000590704714 347492185 /nfs/dbraw/zinc/49/21/85/347492185.db2.gz BZOJSUNPYSOACZ-UHFFFAOYSA-N 0 0 236.243 3.114 20 5 BGBDRN CC(F)(F)CCNc1sccc1[N+](=O)[O-] ZINC000590705942 347497488 /nfs/dbraw/zinc/49/74/88/347497488.db2.gz RGGNHAPLQBQFRU-UHFFFAOYSA-N 0 0 236.243 3.114 20 5 BGBDRN CC/C=C\CNc1ccc([N+](=O)[O-])s1 ZINC000590713753 347499562 /nfs/dbraw/zinc/49/95/62/347499562.db2.gz KQXYYDSVUWHVEK-ARJAWSKDSA-N 0 0 212.274 3.034 20 5 BGBDRN CC/C=C/CNc1ccc([N+](=O)[O-])s1 ZINC000590713754 347499361 /nfs/dbraw/zinc/49/93/61/347499361.db2.gz KQXYYDSVUWHVEK-ONEGZZNKSA-N 0 0 212.274 3.034 20 5 BGBDRN CC/C=C\CNc1sccc1[N+](=O)[O-] ZINC000590713763 347499350 /nfs/dbraw/zinc/49/93/50/347499350.db2.gz ONFXLBUYLRUZGV-ARJAWSKDSA-N 0 0 212.274 3.034 20 5 BGBDRN CC/C=C/CNc1sccc1[N+](=O)[O-] ZINC000590713764 347499588 /nfs/dbraw/zinc/49/95/88/347499588.db2.gz ONFXLBUYLRUZGV-ONEGZZNKSA-N 0 0 212.274 3.034 20 5 BGBDRN CC[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000590715302 347499879 /nfs/dbraw/zinc/49/98/79/347499879.db2.gz ORUIVDQMZOSBBO-SFYZADRCSA-N 0 0 226.301 3.114 20 5 BGBDRN CC[C@@H]1C[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000590715733 347500130 /nfs/dbraw/zinc/50/01/30/347500130.db2.gz PINNNITUTBEEGV-SFYZADRCSA-N 0 0 226.301 3.114 20 5 BGBDRN CC[C@@H]1CC[C@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000590736998 347501337 /nfs/dbraw/zinc/50/13/37/347501337.db2.gz AEGKIAFLBJBVBY-WDEREUQCSA-N 0 0 249.314 3.005 20 5 BGBDRN CC[C@@H]1CC[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000590736999 347501544 /nfs/dbraw/zinc/50/15/44/347501544.db2.gz AUXWWNCOJWJBQM-WDEREUQCSA-N 0 0 249.314 3.005 20 5 BGBDRN Cc1nn(CCC2CCCCC2)cc1[N+](=O)[O-] ZINC000590739163 347502199 /nfs/dbraw/zinc/50/21/99/347502199.db2.gz LBDXZQGOEXBZTR-UHFFFAOYSA-N 0 0 237.303 3.070 20 5 BGBDRN CC(C)(C)C1CN(c2sccc2[N+](=O)[O-])C1 ZINC000591169795 347628548 /nfs/dbraw/zinc/62/85/48/347628548.db2.gz MEPMLFNQUPXSNU-UHFFFAOYSA-N 0 0 240.328 3.139 20 5 BGBDRN CC(C)[C@@H]1C[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000591179604 347625523 /nfs/dbraw/zinc/62/55/23/347625523.db2.gz NNBBIFMLIQQDSY-JGVFFNPUSA-N 0 0 226.301 3.113 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000591182280 347625566 /nfs/dbraw/zinc/62/55/66/347625566.db2.gz DYMYJFCQWSDMDA-HRDYMLBCSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000591182287 347625735 /nfs/dbraw/zinc/62/57/35/347625735.db2.gz DYMYJFCQWSDMDA-VGMNWLOBSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1ccsc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000591182372 347625626 /nfs/dbraw/zinc/62/56/26/347625626.db2.gz VDBOHUYIDGTDTJ-HRDYMLBCSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1ccsc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000591182373 347625756 /nfs/dbraw/zinc/62/57/56/347625756.db2.gz VDBOHUYIDGTDTJ-VGMNWLOBSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1sccc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000591182386 347625700 /nfs/dbraw/zinc/62/57/00/347625700.db2.gz ZKFVGIYKFJFQER-HRDYMLBCSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1sccc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000591182387 347625527 /nfs/dbraw/zinc/62/55/27/347625527.db2.gz ZKFVGIYKFJFQER-VGMNWLOBSA-N 0 0 238.312 3.257 20 5 BGBDRN C[C@@H]1CC(C)(C)CN1c1ccsc1[N+](=O)[O-] ZINC000591197206 347629449 /nfs/dbraw/zinc/62/94/49/347629449.db2.gz OYJVWEHASZPKGE-MRVPVSSYSA-N 0 0 240.328 3.281 20 5 BGBDRN C[C@H]1CC(C)(C)CN1c1ccsc1[N+](=O)[O-] ZINC000591197207 347629378 /nfs/dbraw/zinc/62/93/78/347629378.db2.gz OYJVWEHASZPKGE-QMMMGPOBSA-N 0 0 240.328 3.281 20 5 BGBDRN C[C@@H]1CC(C)(C)CN1c1sccc1[N+](=O)[O-] ZINC000591197212 347629396 /nfs/dbraw/zinc/62/93/96/347629396.db2.gz PTLRPCXPPCJOHN-MRVPVSSYSA-N 0 0 240.328 3.281 20 5 BGBDRN C[C@H]1CC(C)(C)CN1c1sccc1[N+](=O)[O-] ZINC000591197213 347629494 /nfs/dbraw/zinc/62/94/94/347629494.db2.gz PTLRPCXPPCJOHN-QMMMGPOBSA-N 0 0 240.328 3.281 20 5 BGBDRN C[C@@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591197214 347629497 /nfs/dbraw/zinc/62/94/97/347629497.db2.gz PZWXPLYRPULLSR-MRVPVSSYSA-N 0 0 240.328 3.281 20 5 BGBDRN C[C@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591197215 347629440 /nfs/dbraw/zinc/62/94/40/347629440.db2.gz PZWXPLYRPULLSR-QMMMGPOBSA-N 0 0 240.328 3.281 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H](C2CCC2)C1 ZINC000591204510 347630418 /nfs/dbraw/zinc/63/04/18/347630418.db2.gz YCWUTWHRKUWHNK-GFCCVEGCSA-N 0 0 246.310 3.221 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CC[C@H](C2CCC2)C1 ZINC000591204511 347630548 /nfs/dbraw/zinc/63/05/48/347630548.db2.gz YCWUTWHRKUWHNK-LBPRGKRZSA-N 0 0 246.310 3.221 20 5 BGBDRN C[C@@H]1[C@H](C)CN(c2sccc2[N+](=O)[O-])[C@H]1C ZINC000591368981 347654778 /nfs/dbraw/zinc/65/47/78/347654778.db2.gz DRMRCSSQAWKMPD-HLTSFMKQSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1sccc1[N+](=O)[O-] ZINC000591368982 347654726 /nfs/dbraw/zinc/65/47/26/347654726.db2.gz DRMRCSSQAWKMPD-HRDYMLBCSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@H]1[C@@H](C)N(c2sccc2[N+](=O)[O-])C[C@H]1C ZINC000591368983 347654691 /nfs/dbraw/zinc/65/46/91/347654691.db2.gz DRMRCSSQAWKMPD-IWSPIJDZSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@@H]1CN(c2sccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000591368984 347654811 /nfs/dbraw/zinc/65/48/11/347654811.db2.gz DRMRCSSQAWKMPD-VGMNWLOBSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@@H]1[C@H](C)CN(c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000591368998 347654818 /nfs/dbraw/zinc/65/48/18/347654818.db2.gz IGQBZVILTDHOAE-HLTSFMKQSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591368999 347654703 /nfs/dbraw/zinc/65/47/03/347654703.db2.gz IGQBZVILTDHOAE-HRDYMLBCSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000591369000 347654771 /nfs/dbraw/zinc/65/47/71/347654771.db2.gz IGQBZVILTDHOAE-IWSPIJDZSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)[C@@H](C)[C@H]1C ZINC000591369001 347654734 /nfs/dbraw/zinc/65/47/34/347654734.db2.gz IGQBZVILTDHOAE-VGMNWLOBSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@@H]1[C@H](C)CN(c2ccsc2[N+](=O)[O-])[C@H]1C ZINC000591369052 347654708 /nfs/dbraw/zinc/65/47/08/347654708.db2.gz PWXUHGWJIPNBLX-HLTSFMKQSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccsc1[N+](=O)[O-] ZINC000591369053 347654750 /nfs/dbraw/zinc/65/47/50/347654750.db2.gz PWXUHGWJIPNBLX-HRDYMLBCSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@H]1[C@@H](C)N(c2ccsc2[N+](=O)[O-])C[C@H]1C ZINC000591369054 347654823 /nfs/dbraw/zinc/65/48/23/347654823.db2.gz PWXUHGWJIPNBLX-IWSPIJDZSA-N 0 0 240.328 3.137 20 5 BGBDRN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000591369055 347654696 /nfs/dbraw/zinc/65/46/96/347654696.db2.gz PWXUHGWJIPNBLX-VGMNWLOBSA-N 0 0 240.328 3.137 20 5 BGBDRN O=[N+]([O-])c1ccsc1N[C@@H]1C[C@H]1C1CCC1 ZINC000591827521 347702465 /nfs/dbraw/zinc/70/24/65/347702465.db2.gz OTEIXQDRQPSKRQ-DTWKUNHWSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CCC2)s1 ZINC000591827540 347702566 /nfs/dbraw/zinc/70/25/66/347702566.db2.gz VTZFMDNYLGWSFI-DTWKUNHWSA-N 0 0 238.312 3.257 20 5 BGBDRN C[C@@H](CNc1ccccc1[N+](=O)[O-])CC(F)F ZINC000591963096 347718862 /nfs/dbraw/zinc/71/88/62/347718862.db2.gz DHVJYTHACNUIBE-MRVPVSSYSA-N 0 0 244.241 3.298 20 5 BGBDRN C[C@H](CNc1ccccc1[N+](=O)[O-])CC(F)F ZINC000591963100 347718798 /nfs/dbraw/zinc/71/87/98/347718798.db2.gz DHVJYTHACNUIBE-QMMMGPOBSA-N 0 0 244.241 3.298 20 5 BGBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000591964254 388144799 /nfs/dbraw/zinc/14/47/99/388144799.db2.gz JSDACPMGSVLMGQ-MRVPVSSYSA-N 0 0 244.241 3.298 20 5 BGBDRN C[C@H](CNc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000591964257 388144792 /nfs/dbraw/zinc/14/47/92/388144792.db2.gz JSDACPMGSVLMGQ-QMMMGPOBSA-N 0 0 244.241 3.298 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000592001497 388145566 /nfs/dbraw/zinc/14/55/66/388145566.db2.gz CZFOTSNYGVZNPY-IWSPIJDZSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000592001498 388145814 /nfs/dbraw/zinc/14/58/14/388145814.db2.gz CZFOTSNYGVZNPY-XHNCKOQMSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1ccsc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592004120 388145586 /nfs/dbraw/zinc/14/55/86/388145586.db2.gz UBTZVZGGVVCLIS-IWSPIJDZSA-N 0 0 238.312 3.257 20 5 BGBDRN O=[N+]([O-])c1ccsc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592004121 388145522 /nfs/dbraw/zinc/14/55/22/388145522.db2.gz UBTZVZGGVVCLIS-XHNCKOQMSA-N 0 0 238.312 3.257 20 5 BGBDRN C[C@@H]([NH2+]CC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000592091635 347740187 /nfs/dbraw/zinc/74/01/87/347740187.db2.gz AAKCAMNZDMBBHD-LLVKDONJSA-N 0 0 246.310 3.356 20 5 BGBDRN C[C@H]([NH2+]CC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000592091636 347739636 /nfs/dbraw/zinc/73/96/36/347739636.db2.gz AAKCAMNZDMBBHD-NSHDSACASA-N 0 0 246.310 3.356 20 5 BGBDRN COc1ccc(OCC2=CCCC2)c([N+](=O)[O-])c1 ZINC000592343171 347768972 /nfs/dbraw/zinc/76/89/72/347768972.db2.gz KQTRQGGYAPDRLO-UHFFFAOYSA-N 0 0 249.266 3.093 20 5 BGBDRN O=[N+]([O-])c1cccc(OCC2=CCCC2)c1 ZINC000592343347 347769030 /nfs/dbraw/zinc/76/90/30/347769030.db2.gz SIEUAEDZHUXUSI-UHFFFAOYSA-N 0 0 219.240 3.084 20 5 BGBDRN O=[N+]([O-])c1ccc(OCC2=CCCC2)cc1 ZINC000592343489 347768933 /nfs/dbraw/zinc/76/89/33/347768933.db2.gz XDFSBJVDPLPDRA-UHFFFAOYSA-N 0 0 219.240 3.084 20 5 BGBDRN O=[N+]([O-])c1cc(F)ccc1OCC1=CCCC1 ZINC000592343899 347769009 /nfs/dbraw/zinc/76/90/09/347769009.db2.gz AOEMUQXSUJMPAH-UHFFFAOYSA-N 0 0 237.230 3.223 20 5 BGBDRN COc1cc([N+](=O)[O-])ccc1OCC1=CCCC1 ZINC000592343984 347768936 /nfs/dbraw/zinc/76/89/36/347768936.db2.gz FDKQEEURNABQJG-UHFFFAOYSA-N 0 0 249.266 3.093 20 5 BGBDRN O=[N+]([O-])c1ccc(OCC2=CCCC2)c(F)c1 ZINC000592344800 347769299 /nfs/dbraw/zinc/76/92/99/347769299.db2.gz FSJAVTYVWLMJBY-UHFFFAOYSA-N 0 0 237.230 3.223 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1OCC1=CCCC1 ZINC000592345895 347769626 /nfs/dbraw/zinc/76/96/26/347769626.db2.gz GBQGBADMYHYDRF-UHFFFAOYSA-N 0 0 249.266 3.093 20 5 BGBDRN O=[N+]([O-])c1ccc(SCC2=CCCC2)nc1 ZINC000592348091 347769917 /nfs/dbraw/zinc/76/99/17/347769917.db2.gz FMWVVXSGNQEWLO-UHFFFAOYSA-N 0 0 236.296 3.192 20 5 BGBDRN O=[N+]([O-])c1cccc(F)c1OCC1=CCCC1 ZINC000592348498 347770300 /nfs/dbraw/zinc/77/03/00/347770300.db2.gz MZUSHJSAIDDFHA-UHFFFAOYSA-N 0 0 237.230 3.223 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC2=CCCC2)n1 ZINC000592348548 347770394 /nfs/dbraw/zinc/77/03/94/347770394.db2.gz ONYFZSUZUBDECM-UHFFFAOYSA-N 0 0 248.282 3.096 20 5 BGBDRN COc1cc(OCC2=CCCC2)ccc1[N+](=O)[O-] ZINC000592349020 347770357 /nfs/dbraw/zinc/77/03/57/347770357.db2.gz MMCTVMJLVNCHED-UHFFFAOYSA-N 0 0 249.266 3.093 20 5 BGBDRN COc1ccc(OCC2=CCCC2)cc1[N+](=O)[O-] ZINC000592357725 347773484 /nfs/dbraw/zinc/77/34/84/347773484.db2.gz NLKWVHLPLGTUFD-UHFFFAOYSA-N 0 0 249.266 3.093 20 5 BGBDRN COc1ccc([N+](=O)[O-])c(OCC2=CCCC2)c1 ZINC000592361129 347774334 /nfs/dbraw/zinc/77/43/34/347774334.db2.gz LLPVRFVZFQUJQT-UHFFFAOYSA-N 0 0 249.266 3.093 20 5 BGBDRN COc1ccc([N+](=O)[O-])c(O[C@H]2C=CCCC2)c1 ZINC000592361329 347774190 /nfs/dbraw/zinc/77/41/90/347774190.db2.gz XGGTUGVISRSWOY-JTQLQIEISA-N 0 0 249.266 3.091 20 5 BGBDRN COc1ccc([N+](=O)[O-])c(O[C@@H]2C=CCCC2)c1 ZINC000592361330 347774347 /nfs/dbraw/zinc/77/43/47/347774347.db2.gz XGGTUGVISRSWOY-SNVBAGLBSA-N 0 0 249.266 3.091 20 5 BGBDRN COc1ccc([N+](=O)[O-])cc1NCC1=CCCC1 ZINC000592446768 347780675 /nfs/dbraw/zinc/78/06/75/347780675.db2.gz VVLXZWPTSOBBDM-UHFFFAOYSA-N 0 0 248.282 3.126 20 5 BGBDRN O=[N+]([O-])c1cccc(NCC2=CCCC2)c1 ZINC000592446770 347780246 /nfs/dbraw/zinc/78/02/46/347780246.db2.gz VYXCFGOJCGQKMS-UHFFFAOYSA-N 0 0 218.256 3.117 20 5 BGBDRN CC(C)CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593457451 347899279 /nfs/dbraw/zinc/89/92/79/347899279.db2.gz FHOMMVVJUKSELT-UHFFFAOYSA-N 0 0 245.282 3.211 20 5 BGBDRN CC[C@@H](C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593459997 347899523 /nfs/dbraw/zinc/89/95/23/347899523.db2.gz YQTLHAKGDSWYLE-SECBINFHSA-N 0 0 245.282 3.353 20 5 BGBDRN CC[C@H](C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593459998 347899797 /nfs/dbraw/zinc/89/97/97/347899797.db2.gz YQTLHAKGDSWYLE-VIFPVBQESA-N 0 0 245.282 3.353 20 5 BGBDRN O=[N+]([O-])c1ccc2c(c1)nccc2NC1CCC1 ZINC000593463590 347899805 /nfs/dbraw/zinc/89/98/05/347899805.db2.gz ZGUJVLVVULDCPF-UHFFFAOYSA-N 0 0 243.266 3.107 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N2CCC23CCCC3)c1 ZINC000593483173 347896730 /nfs/dbraw/zinc/89/67/30/347896730.db2.gz DNLMHKPPGQDEQR-UHFFFAOYSA-N 0 0 246.310 3.426 20 5 BGBDRN Cc1cc(N2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000593483762 347896748 /nfs/dbraw/zinc/89/67/48/347896748.db2.gz JKQMAHXFCRXAAQ-UHFFFAOYSA-N 0 0 246.310 3.426 20 5 BGBDRN O=[N+]([O-])c1ccccc1N1CCC12CCCC2 ZINC000593483920 347897495 /nfs/dbraw/zinc/89/74/95/347897495.db2.gz LKFGIWIZAUCVIS-UHFFFAOYSA-N 0 0 232.283 3.118 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1NC1CC2(CCC2)C1 ZINC000593515121 347902814 /nfs/dbraw/zinc/90/28/14/347902814.db2.gz ASJMXMDGRFFVKD-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN O=[N+]([O-])c1sccc1NC1CC2(CCC2)C1 ZINC000593515278 347902751 /nfs/dbraw/zinc/90/27/51/347902751.db2.gz DEMFNUQOTRJULR-UHFFFAOYSA-N 0 0 238.312 3.401 20 5 BGBDRN Cc1cc(NC2CC3(CCC3)C2)ncc1[N+](=O)[O-] ZINC000593515586 347902535 /nfs/dbraw/zinc/90/25/35/347902535.db2.gz HKWGDAAFNJOYAW-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1ccnc(NC2CC3(CCC3)C2)c1[N+](=O)[O-] ZINC000593515811 347903166 /nfs/dbraw/zinc/90/31/66/347903166.db2.gz IKLUMBZYPIRUPR-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CC3(CCC3)C2)cc1 ZINC000593516361 347903075 /nfs/dbraw/zinc/90/30/75/347903075.db2.gz NEZVNKQHJGLDBC-UHFFFAOYSA-N 0 0 232.283 3.339 20 5 BGBDRN Cc1nc(NC2CC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000593516399 347903307 /nfs/dbraw/zinc/90/33/07/347903307.db2.gz OBBRPSWAMSMRJE-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cnc(NC2CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000593516603 347903284 /nfs/dbraw/zinc/90/32/84/347903284.db2.gz PEAHHWHZJGJEEB-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN O=[N+]([O-])c1ccc(NC2CC3(CCC3)C2)s1 ZINC000593516717 347903151 /nfs/dbraw/zinc/90/31/51/347903151.db2.gz QTILMVCIOWGNCS-UHFFFAOYSA-N 0 0 238.312 3.401 20 5 BGBDRN O=[N+]([O-])c1ccccc1NC1CC2(CCC2)C1 ZINC000593517100 347903387 /nfs/dbraw/zinc/90/33/87/347903387.db2.gz ULYPCJSZBDJMHB-UHFFFAOYSA-N 0 0 232.283 3.339 20 5 BGBDRN O=[N+]([O-])c1ccsc1NC1CC2(CCC2)C1 ZINC000593517585 347903710 /nfs/dbraw/zinc/90/37/10/347903710.db2.gz XXHYXHMCMUCKKE-UHFFFAOYSA-N 0 0 238.312 3.401 20 5 BGBDRN O=[N+]([O-])c1cn(CCC2CCCCCC2)cn1 ZINC000594442059 348054849 /nfs/dbraw/zinc/05/48/49/348054849.db2.gz BMYQPFOQINAARH-UHFFFAOYSA-N 0 0 237.303 3.152 20 5 BGBDRN O=[N+]([O-])c1ccnn1CCC1CCCCCC1 ZINC000594454999 348059002 /nfs/dbraw/zinc/05/90/02/348059002.db2.gz XHDBEHQPDMLCSI-UHFFFAOYSA-N 0 0 237.303 3.152 20 5 BGBDRN O=[N+]([O-])c1cnn(CCC2CCCCCC2)c1 ZINC000594457174 348059796 /nfs/dbraw/zinc/05/97/96/348059796.db2.gz VHAVPIIOFVRJOW-UHFFFAOYSA-N 0 0 237.303 3.152 20 5 BGBDRN CCCCn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000594463357 348052753 /nfs/dbraw/zinc/05/27/53/348052753.db2.gz SNLVJCSRYJJGBZ-UHFFFAOYSA-N 0 0 245.282 3.258 20 5 BGBDRN Cc1cc(NC2(C)CC=CC2)ccc1[N+](=O)[O-] ZINC000594590293 348078576 /nfs/dbraw/zinc/07/85/76/348078576.db2.gz KAXMSOPPKZZVMK-UHFFFAOYSA-N 0 0 232.283 3.424 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2(C)CC=CC2)n1 ZINC000594590696 348078675 /nfs/dbraw/zinc/07/86/75/348078675.db2.gz MWDLDDUBWCWNJR-UHFFFAOYSA-N 0 0 247.298 3.127 20 5 BGBDRN CC1(Nc2ccc([N+](=O)[O-])cc2F)CC=CC1 ZINC000594591306 348079282 /nfs/dbraw/zinc/07/92/82/348079282.db2.gz QMTXXWKMNQUXBP-UHFFFAOYSA-N 0 0 236.246 3.255 20 5 BGBDRN CC1(Nc2ccc(F)cc2[N+](=O)[O-])CC=CC1 ZINC000594591744 348079193 /nfs/dbraw/zinc/07/91/93/348079193.db2.gz WJJVFBSUQRNMIL-UHFFFAOYSA-N 0 0 236.246 3.255 20 5 BGBDRN CC1(Nc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC000594592115 348079200 /nfs/dbraw/zinc/07/92/00/348079200.db2.gz ZBSHGHPBABJLMB-UHFFFAOYSA-N 0 0 218.256 3.115 20 5 BGBDRN CC1(Nc2ccccc2[N+](=O)[O-])CC=CC1 ZINC000594592154 348079355 /nfs/dbraw/zinc/07/93/55/348079355.db2.gz ZWQUGUGCZAUDBV-UHFFFAOYSA-N 0 0 218.256 3.115 20 5 BGBDRN CC(C)=CCCOc1ccccc1[N+](=O)[O-] ZINC000594878613 348118327 /nfs/dbraw/zinc/11/83/27/348118327.db2.gz HIEZVULECVVOQO-UHFFFAOYSA-N 0 0 221.256 3.330 20 5 BGBDRN O=[N+]([O-])c1ccccc1OCCC1CCC1 ZINC000594879612 348119479 /nfs/dbraw/zinc/11/94/79/348119479.db2.gz ZVKQSTLUVAZBDH-UHFFFAOYSA-N 0 0 221.256 3.164 20 5 BGBDRN Cc1ccc(OCC2CC=CC2)c([N+](=O)[O-])c1 ZINC000594881198 348119352 /nfs/dbraw/zinc/11/93/52/348119352.db2.gz ULPHKDKWQFCPFZ-UHFFFAOYSA-N 0 0 233.267 3.248 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OCC2CC=CC2)c1 ZINC000594881217 348119399 /nfs/dbraw/zinc/11/93/99/348119399.db2.gz USCMPNIIRSMJKU-UHFFFAOYSA-N 0 0 233.267 3.248 20 5 BGBDRN CCC(C)(C)CCOc1cccnc1[N+](=O)[O-] ZINC000594881224 348119388 /nfs/dbraw/zinc/11/93/88/348119388.db2.gz LDFFAPMEWBBOMH-UHFFFAOYSA-N 0 0 238.287 3.195 20 5 BGBDRN O=[N+]([O-])c1ccc(OCC2CC=CC2)c(F)c1 ZINC000594886527 348121477 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371682921 /nfs/dbraw/zinc/68/29/21/371682921.db2.gz OWJMROKQPCLKRY-JTQLQIEISA-N 0 0 239.319 3.316 20 5 BGBDRN CCC[C@@H](C)CCCn1cc([N+](=O)[O-])c(C)n1 ZINC000600546144 371683010 /nfs/dbraw/zinc/68/30/10/371683010.db2.gz OWJMROKQPCLKRY-SNVBAGLBSA-N 0 0 239.319 3.316 20 5 BGBDRN C[C@@H]1C[C@@H]1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000600672863 371695042 /nfs/dbraw/zinc/69/50/42/371695042.db2.gz GCZOJDXBHWKDPW-NXEZZACHSA-N 0 0 230.267 3.206 20 5 BGBDRN C[C@H]1C[C@H]1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000600672865 371695481 /nfs/dbraw/zinc/69/54/81/371695481.db2.gz GCZOJDXBHWKDPW-UWVGGRQHSA-N 0 0 230.267 3.206 20 5 BGBDRN C[C@H]1C[C@@H]1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000600672867 371694830 /nfs/dbraw/zinc/69/48/30/371694830.db2.gz GCZOJDXBHWKDPW-VHSXEESVSA-N 0 0 230.267 3.206 20 5 BGBDRN C[C@@H]1C[C@H]1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000600672868 371695258 /nfs/dbraw/zinc/69/52/58/371695258.db2.gz GCZOJDXBHWKDPW-ZJUUUORDSA-N 0 0 230.267 3.206 20 5 BGBDRN CCC[C@H](C)CCCn1cc(C)c([N+](=O)[O-])n1 ZINC000600675562 344354231 /nfs/dbraw/zinc/35/42/31/344354231.db2.gz UMLKRMKTYIKVHJ-JTQLQIEISA-N 0 0 239.319 3.316 20 5 BGBDRN CCC[C@@H](C)CCCn1cc(C)c([N+](=O)[O-])n1 ZINC000600675563 344354137 /nfs/dbraw/zinc/35/41/37/344354137.db2.gz UMLKRMKTYIKVHJ-SNVBAGLBSA-N 0 0 239.319 3.316 20 5 BGBDRN CC[C@H](C)n1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000600784448 371701961 /nfs/dbraw/zinc/70/19/61/371701961.db2.gz JIFCTYZZZOAAFF-JTQLQIEISA-N 0 0 245.282 3.429 20 5 BGBDRN CC[C@@H](C)n1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000600784449 371701424 /nfs/dbraw/zinc/70/14/24/371701424.db2.gz JIFCTYZZZOAAFF-SNVBAGLBSA-N 0 0 245.282 3.429 20 5 BGBDRN CC(C)c1cnc(-c2ccc([N+](=O)[O-])nc2)s1 ZINC000600788698 371702030 /nfs/dbraw/zinc/70/20/30/371702030.db2.gz MINHWLNTMYJYBE-UHFFFAOYSA-N 0 0 249.295 3.237 20 5 BGBDRN CC(C)c1ncc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000600845059 371706725 /nfs/dbraw/zinc/70/67/25/371706725.db2.gz HFGYGETVUKTJJE-UHFFFAOYSA-N 0 0 245.282 3.119 20 5 BGBDRN CN(c1ccsc1[N+](=O)[O-])C1CCCCC1 ZINC000600874857 344386960 /nfs/dbraw/zinc/38/69/60/344386960.db2.gz DDUAZXFJKAPQOH-UHFFFAOYSA-N 0 0 240.328 3.425 20 5 BGBDRN C[C@@H]1C[C@H](C)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000600874903 371707714 /nfs/dbraw/zinc/70/77/14/371707714.db2.gz HJUDXUXHJVRCKG-DTORHVGOSA-N 0 0 240.328 3.139 20 5 BGBDRN C[C@H]1C[C@H](C)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000600874904 371708854 /nfs/dbraw/zinc/70/88/54/371708854.db2.gz HJUDXUXHJVRCKG-IUCAKERBSA-N 0 0 240.328 3.139 20 5 BGBDRN C[C@@H]1C[C@@H](C)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000600874905 371708834 /nfs/dbraw/zinc/70/88/34/371708834.db2.gz HJUDXUXHJVRCKG-RKDXNWHRSA-N 0 0 240.328 3.139 20 5 BGBDRN CN(Cc1ccccc1)c1ccsc1[N+](=O)[O-] ZINC000600875226 344386899 /nfs/dbraw/zinc/38/68/99/344386899.db2.gz UIMVHOVLSVJTNM-UHFFFAOYSA-N 0 0 248.307 3.293 20 5 BGBDRN CC(C)c1csc(-c2ccc([N+](=O)[O-])nc2)n1 ZINC000600946770 371710932 /nfs/dbraw/zinc/71/09/32/371710932.db2.gz RZUOPHFYTCAOQN-UHFFFAOYSA-N 0 0 249.295 3.237 20 5 BGBDRN CC1(C)CC(n2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000601080877 371726667 /nfs/dbraw/zinc/72/66/67/371726667.db2.gz HYUWPAXTZWADFY-UHFFFAOYSA-N 0 0 235.287 3.030 20 5 BGBDRN O=[N+]([O-])c1cc(F)cnc1SC1CCCC1 ZINC000601100502 344242890 /nfs/dbraw/zinc/24/28/90/344242890.db2.gz RUKBQQPJOSGSDK-UHFFFAOYSA-N 0 0 242.275 3.164 20 5 BGBDRN O=[N+]([O-])c1sccc1N1CC2(C1)CCCC2 ZINC000601146762 346388863 /nfs/dbraw/zinc/38/88/63/346388863.db2.gz ATRWPIZUKLZRFT-UHFFFAOYSA-N 0 0 238.312 3.037 20 5 BGBDRN Cc1nc(N[C@@H]2CCCC23CC3)ccc1[N+](=O)[O-] ZINC000601209817 344673584 /nfs/dbraw/zinc/67/35/84/344673584.db2.gz LSZRMYJEOZCHFM-LLVKDONJSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1nc(N[C@H]2CCCC23CC3)ccc1[N+](=O)[O-] ZINC000601209818 371736710 /nfs/dbraw/zinc/73/67/10/371736710.db2.gz LSZRMYJEOZCHFM-NSHDSACASA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCC12CC2 ZINC000601210307 371738715 /nfs/dbraw/zinc/73/87/15/371738715.db2.gz OXTZNAKNQRJSNW-LLVKDONJSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC12CC2 ZINC000601210308 346695338 /nfs/dbraw/zinc/69/53/38/346695338.db2.gz OXTZNAKNQRJSNW-NSHDSACASA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1ccnc(N[C@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000601210966 371738307 /nfs/dbraw/zinc/73/83/07/371738307.db2.gz UXZLPEKCIGHZFM-JTQLQIEISA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1ccnc(N[C@@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000601210967 371738095 /nfs/dbraw/zinc/73/80/95/371738095.db2.gz UXZLPEKCIGHZFM-SNVBAGLBSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc(N[C@@H]2CCCC23CC3)ncc1[N+](=O)[O-] ZINC000601211235 371738699 /nfs/dbraw/zinc/73/86/99/371738699.db2.gz XHRHQSNWJHNMHM-LLVKDONJSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc(N[C@H]2CCCC23CC3)ncc1[N+](=O)[O-] ZINC000601211236 371737968 /nfs/dbraw/zinc/73/79/68/371737968.db2.gz XHRHQSNWJHNMHM-NSHDSACASA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1nc(N[C@@]23C[C@@H]2CCCC3)ccc1[N+](=O)[O-] ZINC000601225219 344709836 /nfs/dbraw/zinc/70/98/36/344709836.db2.gz DUFOXBDSBFZNLR-GWCFXTLKSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1nc(N[C@]23C[C@H]2CCCC3)ccc1[N+](=O)[O-] ZINC000601225225 344720703 /nfs/dbraw/zinc/72/07/03/344720703.db2.gz DUFOXBDSBFZNLR-ZWNOBZJWSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc(N[C@@]23C[C@@H]2CCCC3)ncc1[N+](=O)[O-] ZINC000601227832 346986414 /nfs/dbraw/zinc/98/64/14/346986414.db2.gz WUURDUXQVYZBKY-GWCFXTLKSA-N 0 0 247.298 3.043 20 5 BGBDRN Cc1cc(N[C@]23C[C@H]2CCCC3)ncc1[N+](=O)[O-] ZINC000601227835 371740450 /nfs/dbraw/zinc/74/04/50/371740450.db2.gz WUURDUXQVYZBKY-ZWNOBZJWSA-N 0 0 247.298 3.043 20 5 BGBDRN C[C@H](CC1CCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000601246490 371741019 /nfs/dbraw/zinc/74/10/19/371741019.db2.gz RDMUCFDXFXPLHX-SSDOTTSWSA-N 0 0 241.316 3.042 20 5 BGBDRN C[C@@H](CC1CCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000601246491 371741273 /nfs/dbraw/zinc/74/12/73/371741273.db2.gz RDMUCFDXFXPLHX-ZETCQYMHSA-N 0 0 241.316 3.042 20 5 BGBDRN Cc1cc(-c2ccc([N+](=O)[O-])cc2)n(C(C)C)n1 ZINC000601934021 342796052 /nfs/dbraw/zinc/79/60/52/342796052.db2.gz IPATZRZNMBWXSO-UHFFFAOYSA-N 0 0 245.282 3.348 20 5 BGBDRN Cc1nn(-c2cc([N+](=O)[O-])ccc2C)c(C)c1C ZINC000601935507 371776882 /nfs/dbraw/zinc/77/68/82/371776882.db2.gz KNAZNCZXOQXPPF-UHFFFAOYSA-N 0 0 245.282 3.014 20 5 BGBDRN CCCn1nc(C)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000601935767 342797363 /nfs/dbraw/zinc/79/73/63/342797363.db2.gz YFFKADVUFNIYNT-UHFFFAOYSA-N 0 0 245.282 3.177 20 5 BGBDRN Cc1nn(-c2cccc([N+](=O)[O-])c2C)c(C)c1C ZINC000601937156 371777794 /nfs/dbraw/zinc/77/77/94/371777794.db2.gz CDAJMFZAYGSJGP-UHFFFAOYSA-N 0 0 245.282 3.014 20 5 BGBDRN Cc1nn(-c2ccc([N+](=O)[O-])cc2C)c(C)c1C ZINC000601941477 349392877 /nfs/dbraw/zinc/39/28/77/349392877.db2.gz BZJFUWNBKMXFFU-UHFFFAOYSA-N 0 0 245.282 3.014 20 5 BGBDRN Cc1cc(-c2ccc([N+](=O)[O-])cc2)n(C2CC2)n1 ZINC000601945931 342802020 /nfs/dbraw/zinc/80/20/20/342802020.db2.gz VZCQHGRACIMWAL-UHFFFAOYSA-N 0 0 243.266 3.102 20 5 BGBDRN CCC(F)(F)COc1ccccc1[N+](=O)[O-] ZINC000603304851 349909828 /nfs/dbraw/zinc/90/98/28/349909828.db2.gz XZUABMMRALFPCM-UHFFFAOYSA-N 0 0 231.198 3.019 20 5 BGBDRN CCC(F)(F)CSc1ccc([N+](=O)[O-])cn1 ZINC000603326719 371884192 /nfs/dbraw/zinc/88/41/92/371884192.db2.gz PVKYOTDTJIVVAO-UHFFFAOYSA-N 0 0 248.254 3.127 20 5 BGBDRN CCC(F)(F)COc1c(F)cccc1[N+](=O)[O-] ZINC000603328453 371884262 /nfs/dbraw/zinc/88/42/62/371884262.db2.gz SHHTZIAKZXZURS-UHFFFAOYSA-N 0 0 249.188 3.158 20 5 BGBDRN C[C@H]1CCCC[C@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000603500055 398320917 /nfs/dbraw/zinc/32/09/17/398320917.db2.gz LGFPHVNRCHJKIQ-CMPLNLGQSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@H]1CCCC[C@@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000603500056 398320901 /nfs/dbraw/zinc/32/09/01/398320901.db2.gz LGFPHVNRCHJKIQ-JQWIXIFHSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCCC[C@@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000603500057 487481245 /nfs/dbraw/zinc/48/12/45/487481245.db2.gz LGFPHVNRCHJKIQ-PWSUYJOCSA-N 0 0 249.314 3.005 20 5 BGBDRN C[C@@H]1CCCC[C@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000603500058 487481583 /nfs/dbraw/zinc/48/15/83/487481583.db2.gz LGFPHVNRCHJKIQ-ZYHUDNBSSA-N 0 0 249.314 3.005 20 5 BGBDRN O=[N+]([O-])c1sccc1N1CCc2ccccc21 ZINC000603600546 371915065 /nfs/dbraw/zinc/91/50/65/371915065.db2.gz RVDIKYWVYKTLGR-UHFFFAOYSA-N 0 0 246.291 3.351 20 5 BGBDRN CC(C)CSc1ccc([N+](=O)[O-])cc1F ZINC000603627333 371915970 /nfs/dbraw/zinc/91/59/70/371915970.db2.gz SUVSNTFUINSJJF-UHFFFAOYSA-N 0 0 229.276 3.482 20 5 BGBDRN CCN(CC(C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000603627709 350003470 /nfs/dbraw/zinc/00/34/70/350003470.db2.gz LEFOTDRLFPWQAY-UHFFFAOYSA-N 0 0 240.278 3.216 20 5 BGBDRN Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000603629381 371914562 /nfs/dbraw/zinc/91/45/62/371914562.db2.gz IQOSXOMDDPBRIU-UHFFFAOYSA-N 0 0 246.266 3.151 20 5 BGBDRN O=[N+]([O-])c1cccc(OCC2CCCC2)c1 ZINC000603673976 371919558 /nfs/dbraw/zinc/91/95/58/371919558.db2.gz LCBDOYLLWAWHMO-UHFFFAOYSA-N 0 0 221.256 3.164 20 5 BGBDRN Cc1c(OCC2CCCC2)cccc1[N+](=O)[O-] ZINC000603676661 371922309 /nfs/dbraw/zinc/92/23/09/371922309.db2.gz ZGHUYNZBJWAJQQ-UHFFFAOYSA-N 0 0 235.283 3.472 20 5 BGBDRN 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249.314 3.065 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C2CCC2)n1 ZINC000611617394 344775450 /nfs/dbraw/zinc/77/54/50/344775450.db2.gz MXUVHXMJNDWGGR-JTQLQIEISA-N 0 0 249.314 3.207 20 5 BGBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C2CCC2)n1 ZINC000611617395 344775453 /nfs/dbraw/zinc/77/54/53/344775453.db2.gz MXUVHXMJNDWGGR-SNVBAGLBSA-N 0 0 249.314 3.207 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCCC3(CC3)C2)s1 ZINC000613705125 345855902 /nfs/dbraw/zinc/85/59/02/345855902.db2.gz KBGSZRUGALHXDB-UHFFFAOYSA-N 0 0 238.312 3.037 20 5 BGBDRN O=[N+]([O-])c1ccsc1N1CCCC2(CC2)C1 ZINC000613705241 345855874 /nfs/dbraw/zinc/85/58/74/345855874.db2.gz QFFNDTDMPCZPAP-UHFFFAOYSA-N 0 0 238.312 3.037 20 5 BGBDRN O=[N+]([O-])c1sccc1N1CCCC2(CC2)C1 ZINC000613705260 345855832 /nfs/dbraw/zinc/85/58/32/345855832.db2.gz RBFSEMYGMMSRFT-UHFFFAOYSA-N 0 0 238.312 3.037 20 5 BGBDRN C[C@@H]1CCCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000613896294 345939364 /nfs/dbraw/zinc/93/93/64/345939364.db2.gz HGYSZOOTTCWTOF-SECBINFHSA-N 0 0 240.328 3.283 20 5 BGBDRN C[C@H]1CCCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000613896295 345939282 /nfs/dbraw/zinc/93/92/82/345939282.db2.gz HGYSZOOTTCWTOF-VIFPVBQESA-N 0 0 240.328 3.283 20 5 BGBDRN C[C@@H]1CCCCN(c2sccc2[N+](=O)[O-])C1 ZINC000613896307 345939339 /nfs/dbraw/zinc/93/93/39/345939339.db2.gz JSRIPWHZUIFSBA-SECBINFHSA-N 0 0 240.328 3.283 20 5 BGBDRN C[C@H]1CCCCN(c2sccc2[N+](=O)[O-])C1 ZINC000613896308 345939300 /nfs/dbraw/zinc/93/93/00/345939300.db2.gz JSRIPWHZUIFSBA-VIFPVBQESA-N 0 0 240.328 3.283 20 5 BGBDRN C[C@@H]1CCCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000613896359 491133784 /nfs/dbraw/zinc/13/37/84/491133784.db2.gz WLSSDPJNZWGHLS-SECBINFHSA-N 0 0 240.328 3.283 20 5 BGBDRN C[C@H]1CCCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000613896360 491133823 /nfs/dbraw/zinc/13/38/23/491133823.db2.gz WLSSDPJNZWGHLS-VIFPVBQESA-N 0 0 240.328 3.283 20 5 BGBDRN O=[N+]([O-])c1ccsc1N1CC2(C1)CCCC2 ZINC000614524265 346188198 /nfs/dbraw/zinc/18/81/98/346188198.db2.gz CTRKRCJJJLIDJE-UHFFFAOYSA-N 0 0 238.312 3.037 20 5 BGBDRN 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O=[N+]([O-])c1ncccc1NC1CCC2(CC2)CC1 ZINC000617972408 358445326 /nfs/dbraw/zinc/44/53/26/358445326.db2.gz MQBZQBMFLFUXCB-UHFFFAOYSA-N 0 0 247.298 3.125 20 5 BGBDRN CC(C)=CCSc1cccnc1[N+](=O)[O-] ZINC000618589029 357213519 /nfs/dbraw/zinc/21/35/19/357213519.db2.gz DQAJTGLKSULKHS-UHFFFAOYSA-N 0 0 224.285 3.048 20 5 BGBDRN CCCN(c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000618679905 357231734 /nfs/dbraw/zinc/23/17/34/357231734.db2.gz YXBJEIHKRODUAO-UHFFFAOYSA-N 0 0 226.301 3.035 20 5 BGBDRN CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000618981368 357996762 /nfs/dbraw/zinc/99/67/62/357996762.db2.gz FEZQKXXQOUFUIE-UHFFFAOYSA-N 0 0 240.690 3.094 20 5 BGBDRN CC(C)(Nc1ccc(F)cc1[N+](=O)[O-])C(F)F ZINC000619501419 358506628 /nfs/dbraw/zinc/50/66/28/358506628.db2.gz BELMDLPSJNMYNC-UHFFFAOYSA-N 0 0 248.204 3.190 20 5 BGBDRN CC(C)(Nc1ccc([N+](=O)[O-])cc1F)C(F)F ZINC000619501432 358489905 /nfs/dbraw/zinc/48/99/05/358489905.db2.gz FKYNNIBEMIETML-UHFFFAOYSA-N 0 0 248.204 3.190 20 5 BGBDRN 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CC1=C[C@H](C)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000619528047 358697003 /nfs/dbraw/zinc/69/70/03/358697003.db2.gz DZBVNEYOPXCQSK-QMMMGPOBSA-N 0 0 238.312 3.059 20 5 BGBDRN CC1=C[C@@H](C)CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000619528064 358696594 /nfs/dbraw/zinc/69/65/94/358696594.db2.gz NMJOUXFMEGLWGD-MRVPVSSYSA-N 0 0 238.312 3.059 20 5 BGBDRN CC1=C[C@H](C)CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000619528065 358696893 /nfs/dbraw/zinc/69/68/93/358696893.db2.gz NMJOUXFMEGLWGD-QMMMGPOBSA-N 0 0 238.312 3.059 20 5 BGBDRN CC1=C[C@@H](C)CN(c2sccc2[N+](=O)[O-])C1 ZINC000619528100 352376823 /nfs/dbraw/zinc/37/68/23/352376823.db2.gz ZUBUFOQUAJKOAB-MRVPVSSYSA-N 0 0 238.312 3.059 20 5 BGBDRN CC1=C[C@H](C)CN(c2sccc2[N+](=O)[O-])C1 ZINC000619528101 352376497 /nfs/dbraw/zinc/37/64/97/352376497.db2.gz ZUBUFOQUAJKOAB-QMMMGPOBSA-N 0 0 238.312 3.059 20 5 BGBDRN CC(C)c1nn(C)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000675070199 538500139 /nfs/dbraw/zinc/50/01/39/538500139.db2.gz RCGKIAHRAQLSAR-UHFFFAOYSA-N 0 0 245.282 3.119 20 5 BGBDRN Cc1cc(N[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000700505331 711995143 /nfs/dbraw/zinc/99/51/43/711995143.db2.gz ONBMCNFNZCNJHW-JTQLQIEISA-N 0 0 218.256 3.034 20 5 BGBDRN Cc1cc(N[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000700505332 711995076 /nfs/dbraw/zinc/99/50/76/711995076.db2.gz ONBMCNFNZCNJHW-SNVBAGLBSA-N 0 0 218.256 3.034 20 5 BGBDRN CC(C)COc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000700745579 712005439 /nfs/dbraw/zinc/00/54/39/712005439.db2.gz JFRFUUBXJGWXIY-UHFFFAOYSA-N 0 0 247.653 3.422 20 5 BGBDRN O=[N+]([O-])c1c(F)cccc1NCC1=CCCC1 ZINC000702362938 712048434 /nfs/dbraw/zinc/04/84/34/712048434.db2.gz IXENXJXMWHHCHF-UHFFFAOYSA-N 0 0 236.246 3.256 20 5 BGBDRN CCCOCOc1cc([N+](=O)[O-])ccc1Cl ZINC000709723322 712216709 /nfs/dbraw/zinc/21/67/09/712216709.db2.gz YRPAATQBIYCHMO-UHFFFAOYSA-N 0 0 245.662 3.011 20 5 BGBDRN CCCOCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000709742783 712217552 /nfs/dbraw/zinc/21/75/52/712217552.db2.gz JIYBWTBIKPZGQT-UHFFFAOYSA-N 0 0 245.662 3.011 20 5 BGBDRN 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CC/C=C/COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000727044318 583594503 /nfs/dbraw/zinc/59/45/03/583594503.db2.gz QWFWGDLRAIEFKV-SNAWJCMRSA-N 0 0 249.266 3.026 20 5 BGBDRN CC/C=C\COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000727044755 583594407 /nfs/dbraw/zinc/59/44/07/583594407.db2.gz NBMZECAGRMGPHA-PLNGDYQASA-N 0 0 249.266 3.026 20 5 BGBDRN CC/C=C/COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000727044756 583594545 /nfs/dbraw/zinc/59/45/45/583594545.db2.gz NBMZECAGRMGPHA-SNAWJCMRSA-N 0 0 249.266 3.026 20 5 BGBDRN CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000727826491 583780248 /nfs/dbraw/zinc/78/02/48/583780248.db2.gz WRZXPKACBULMBI-SECBINFHSA-N 0 0 238.262 3.113 20 5 BGBDRN CC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000727826492 583780343 /nfs/dbraw/zinc/78/03/43/583780343.db2.gz WRZXPKACBULMBI-VIFPVBQESA-N 0 0 238.262 3.113 20 5 BGBDRN CC(C)=CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000728922626 636413799 /nfs/dbraw/zinc/41/37/99/636413799.db2.gz NQDMXQIXJLYRDP-JTQLQIEISA-N 0 0 249.266 3.165 20 5 BGBDRN CC(C)=CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000728922628 636413771 /nfs/dbraw/zinc/41/37/71/636413771.db2.gz NQDMXQIXJLYRDP-SNVBAGLBSA-N 0 0 249.266 3.165 20 5 BGBDRN O=[N+]([O-])c1ccc2nc(NC3CCC3)sc2c1 ZINC000731208775 641785734 /nfs/dbraw/zinc/78/57/34/641785734.db2.gz NPRGTCJXHFUYOJ-UHFFFAOYSA-N 0 0 249.295 3.169 20 5 BGBDRN C[C@@H]1C[C@H]1Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731209929 584923383 /nfs/dbraw/zinc/92/33/83/584923383.db2.gz FEDNEXRBMYZXAE-HZGVNTEJSA-N 0 0 249.295 3.025 20 5 BGBDRN CC(C)(C)/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000731892458 584930738 /nfs/dbraw/zinc/93/07/38/584930738.db2.gz NXLZEUATSAFDSG-FPLPWBNLSA-N 0 0 248.282 3.136 20 5 BGBDRN CC[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1F ZINC000732049436 584933196 /nfs/dbraw/zinc/93/31/96/584933196.db2.gz WOCWMYRNGQRVGJ-SECBINFHSA-N 0 0 240.278 3.216 20 5 BGBDRN CC[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1F ZINC000732049437 584933096 /nfs/dbraw/zinc/93/30/96/584933096.db2.gz WOCWMYRNGQRVGJ-VIFPVBQESA-N 0 0 240.278 3.216 20 5 BGBDRN CCN(c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000733188638 584945265 /nfs/dbraw/zinc/94/52/65/584945265.db2.gz VDLPMGMMHBPFRL-UHFFFAOYSA-N 0 0 242.706 3.483 20 5 BGBDRN CCC/C=C/C(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000735206361 584974062 /nfs/dbraw/zinc/97/40/62/584974062.db2.gz KITDACFSGICBRU-AATRIKPKSA-N 0 0 249.266 3.165 20 5 BGBDRN CCC/C=C\C(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000735206373 584974213 /nfs/dbraw/zinc/97/42/13/584974213.db2.gz KITDACFSGICBRU-WAYWQWQTSA-N 0 0 249.266 3.165 20 5 BGBDRN CCC/C=C/C(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000735207384 584974464 /nfs/dbraw/zinc/97/44/64/584974464.db2.gz PPVJUFMVWYPXCF-AATRIKPKSA-N 0 0 249.266 3.165 20 5 BGBDRN CCC/C=C\C(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000735207385 584974340 /nfs/dbraw/zinc/97/43/40/584974340.db2.gz PPVJUFMVWYPXCF-WAYWQWQTSA-N 0 0 249.266 3.165 20 5 BGBDRN CC1(C)CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000742400865 585125727 /nfs/dbraw/zinc/12/57/27/585125727.db2.gz JRZHOKMQMKRSJB-UHFFFAOYSA-N 0 0 238.262 3.113 20 5 BGBDRN CC(C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742418559 585126119 /nfs/dbraw/zinc/12/61/19/585126119.db2.gz VUZLKHMVGMKELE-UHFFFAOYSA-N 0 0 248.326 3.467 20 5 BGBDRN CC(C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000745973869 585162372 /nfs/dbraw/zinc/16/23/72/585162372.db2.gz VJRBMTHZSBZNFC-GFCCVEGCSA-N 0 0 248.326 3.467 20 5 BGBDRN CC(C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000745973871 585162393 /nfs/dbraw/zinc/16/23/93/585162393.db2.gz VJRBMTHZSBZNFC-LBPRGKRZSA-N 0 0 248.326 3.467 20 5 BGBDRN O=[N+]([O-])c1ccc(OC/C(Cl)=C/Cl)cc1 ZINC000746144427 585163714 /nfs/dbraw/zinc/16/37/14/585163714.db2.gz SJEJAUUCTBPBIK-ALCCZGGFSA-N 0 0 248.065 3.293 20 5 BGBDRN O=[N+]([O-])c1ccc(OC/C(Cl)=C\Cl)cc1 ZINC000746144438 585163901 /nfs/dbraw/zinc/16/39/01/585163901.db2.gz SJEJAUUCTBPBIK-FNORWQNLSA-N 0 0 248.065 3.293 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N(C)Cc1ccoc1 ZINC000747210091 585176828 /nfs/dbraw/zinc/17/68/28/585176828.db2.gz CACKRIMYGZDNCO-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN Cc1ccc(N(C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000747210133 585176764 /nfs/dbraw/zinc/17/67/64/585176764.db2.gz GBXWLMVHQSLBPA-UHFFFAOYSA-N 0 0 246.266 3.133 20 5 BGBDRN CCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000748102629 585187142 /nfs/dbraw/zinc/18/71/42/585187142.db2.gz SNRLMYBDZYBYGE-SSDOTTSWSA-N 0 0 243.284 3.002 20 5 BGBDRN CCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000748102632 585186922 /nfs/dbraw/zinc/18/69/22/585186922.db2.gz SNRLMYBDZYBYGE-ZETCQYMHSA-N 0 0 243.284 3.002 20 5 BGBDRN CC(C)=CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000749057538 585199071 /nfs/dbraw/zinc/19/90/71/585199071.db2.gz SLLQEDVLZXWGCR-JTQLQIEISA-N 0 0 249.266 3.165 20 5 BGBDRN CC(C)=CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000749057546 585199139 /nfs/dbraw/zinc/19/91/39/585199139.db2.gz SLLQEDVLZXWGCR-SNVBAGLBSA-N 0 0 249.266 3.165 20 5 BGBDRN CCCN(CC)c1c(F)cc([N+](=O)[O-])cc1F ZINC000749322008 711776305 /nfs/dbraw/zinc/77/63/05/711776305.db2.gz VUNUMUPGLJBDSJ-UHFFFAOYSA-N 0 0 244.241 3.109 20 5 BGBDRN CCCCCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000750004674 585209408 /nfs/dbraw/zinc/20/94/08/585209408.db2.gz AXLCDULVVPWKKK-UHFFFAOYSA-N 0 0 238.287 3.257 20 5 BGBDRN C/C=C(/C)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000750895360 585221181 /nfs/dbraw/zinc/22/11/81/585221181.db2.gz HPZBDWQYHMFGNA-FWAPLPHYSA-N 0 0 249.266 3.165 20 5 BGBDRN C/C=C(\C)C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000750895371 585221216 /nfs/dbraw/zinc/22/12/16/585221216.db2.gz HPZBDWQYHMFGNA-LLGDCAAFSA-N 0 0 249.266 3.165 20 5 BGBDRN C/C=C(\C)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000750895374 585221329 /nfs/dbraw/zinc/22/13/29/585221329.db2.gz HPZBDWQYHMFGNA-WXLQGSQKSA-N 0 0 249.266 3.165 20 5 BGBDRN C/C=C(/C)C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000750895376 585221173 /nfs/dbraw/zinc/22/11/73/585221173.db2.gz HPZBDWQYHMFGNA-ZUYFITGHSA-N 0 0 249.266 3.165 20 5 BGBDRN CC(C)=C(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000751116148 585224242 /nfs/dbraw/zinc/22/42/42/585224242.db2.gz COGGTHQXFDSOJF-UHFFFAOYSA-N 0 0 248.282 3.198 20 5 BGBDRN CC(C)=C(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000751118675 585224303 /nfs/dbraw/zinc/22/43/03/585224303.db2.gz QJGREWYJDAGIBO-UHFFFAOYSA-N 0 0 248.282 3.198 20 5 BGBDRN CC(C)=C(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000751118772 585224331 /nfs/dbraw/zinc/22/43/31/585224331.db2.gz RSIJCCFPVTUREQ-UHFFFAOYSA-N 0 0 248.282 3.198 20 5 BGBDRN Cc1ccc(N2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000754041370 585275861 /nfs/dbraw/zinc/27/58/61/585275861.db2.gz HVJKAGUCAYZSTI-UHFFFAOYSA-N 0 0 232.283 3.034 20 5 BGBDRN CCC(CC)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000754749159 585290366 /nfs/dbraw/zinc/29/03/66/585290366.db2.gz OYMKJHBYWJDFIR-UHFFFAOYSA-N 0 0 243.284 3.002 20 5 BGBDRN CCC/C=C/C(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000755359165 585298416 /nfs/dbraw/zinc/29/84/16/585298416.db2.gz PEUIJONCFNPZHS-AATRIKPKSA-N 0 0 249.266 3.165 20 5 BGBDRN CCC/C=C\C(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000755359166 585298312 /nfs/dbraw/zinc/29/83/12/585298312.db2.gz PEUIJONCFNPZHS-WAYWQWQTSA-N 0 0 249.266 3.165 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC=C(C)CC1 ZINC000755916073 585310485 /nfs/dbraw/zinc/31/04/85/585310485.db2.gz CPISYDCUZBNNIK-UHFFFAOYSA-N 0 0 232.283 3.060 20 5 BGBDRN Cc1ccc(N2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000755917680 585310428 /nfs/dbraw/zinc/31/04/28/585310428.db2.gz MPYDCAMHEISLSJ-UHFFFAOYSA-N 0 0 232.283 3.060 20 5 BGBDRN CC(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000756139537 585315087 /nfs/dbraw/zinc/31/50/87/585315087.db2.gz IRSGGSLYEQMIGN-LLVKDONJSA-N 0 0 234.299 3.077 20 5 BGBDRN CC(C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000756139542 585315104 /nfs/dbraw/zinc/31/51/04/585315104.db2.gz IRSGGSLYEQMIGN-NSHDSACASA-N 0 0 234.299 3.077 20 5 BGBDRN Cc1ccc(N2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000756140709 585315135 /nfs/dbraw/zinc/31/51/35/585315135.db2.gz PPCJDAULMVFLQS-GFCCVEGCSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1ccc(N2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000756140711 585315096 /nfs/dbraw/zinc/31/50/96/585315096.db2.gz PPCJDAULMVFLQS-LBPRGKRZSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(C)C)C1 ZINC000756141732 643745589 /nfs/dbraw/zinc/74/55/89/643745589.db2.gz YJJWXDZTJXWXPY-GFCCVEGCSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C(C)C)C1 ZINC000756141739 643745031 /nfs/dbraw/zinc/74/50/31/643745031.db2.gz YJJWXDZTJXWXPY-LBPRGKRZSA-N 0 0 248.326 3.386 20 5 BGBDRN Cc1ccc(N2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000756969804 585325708 /nfs/dbraw/zinc/32/57/08/585325708.db2.gz YYZCURWEQHWEAE-GHMZBOCLSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc(N2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000756969805 585325819 /nfs/dbraw/zinc/32/58/19/585325819.db2.gz YYZCURWEQHWEAE-MNOVXSKESA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc(N2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000756969806 585325668 /nfs/dbraw/zinc/32/56/68/585325668.db2.gz YYZCURWEQHWEAE-QWRGUYRKSA-N 0 0 234.299 3.138 20 5 BGBDRN Cc1ccc(N2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000756969807 585325798 /nfs/dbraw/zinc/32/57/98/585325798.db2.gz YYZCURWEQHWEAE-WDEREUQCSA-N 0 0 234.299 3.138 20 5 BGBDRN CC(C)=C(C)C(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000757361216 585332962 /nfs/dbraw/zinc/33/29/62/585332962.db2.gz BBTIJAMTURJOGA-UHFFFAOYSA-N 0 0 249.266 3.165 20 5 BGBDRN CC(C)=C(C)C(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000757364625 585333437 /nfs/dbraw/zinc/33/34/37/585333437.db2.gz QPVCJXXMKUVPID-UHFFFAOYSA-N 0 0 249.266 3.165 20 5 BGBDRN CCOCOc1ccc([N+](=O)[O-])c2ccccc12 ZINC000758382003 585355527 /nfs/dbraw/zinc/35/55/27/585355527.db2.gz BGTOLVXPZVOOPB-UHFFFAOYSA-N 0 0 247.250 3.121 20 5 BGBDRN CC[C@]1(C)CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000758487986 585356239 /nfs/dbraw/zinc/35/62/39/585356239.db2.gz VHPAHKBWJQTIEU-CYBMUJFWSA-N 0 0 234.299 3.221 20 5 BGBDRN CC[C@@]1(C)CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000758487987 585356323 /nfs/dbraw/zinc/35/63/23/585356323.db2.gz VHPAHKBWJQTIEU-ZDUSSCGKSA-N 0 0 234.299 3.221 20 5 BGBDRN CCC(=CC(=O)Oc1cccc([N+](=O)[O-])c1)CC ZINC000759119237 585364368 /nfs/dbraw/zinc/36/43/68/585364368.db2.gz WWTLAZUTTLRAAN-UHFFFAOYSA-N 0 0 249.266 3.247 20 5 BGBDRN CCCC1(C(=O)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000760227076 585387097 /nfs/dbraw/zinc/38/70/97/585387097.db2.gz QVTMRBHBCCMYAP-UHFFFAOYSA-N 0 0 249.266 3.081 20 5 BGBDRN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760271614 585388303 /nfs/dbraw/zinc/38/83/03/585388303.db2.gz FLACGWFKDYGPQW-MRVPVSSYSA-N 0 0 249.245 3.235 20 5 BGBDRN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760271615 585388195 /nfs/dbraw/zinc/38/81/95/585388195.db2.gz FLACGWFKDYGPQW-QMMMGPOBSA-N 0 0 249.245 3.235 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000760271934 585388376 /nfs/dbraw/zinc/38/83/76/585388376.db2.gz JCENQCILQJWPLB-SECBINFHSA-N 0 0 231.255 3.096 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000760271935 585388497 /nfs/dbraw/zinc/38/84/97/585388497.db2.gz JCENQCILQJWPLB-VIFPVBQESA-N 0 0 231.255 3.096 20 5 BGBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760272478 585388515 /nfs/dbraw/zinc/38/85/15/585388515.db2.gz LGFOHKPEAFNOEA-SECBINFHSA-N 0 0 231.255 3.096 20 5 BGBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760272480 584907355 /nfs/dbraw/zinc/90/73/55/584907355.db2.gz LGFOHKPEAFNOEA-VIFPVBQESA-N 0 0 231.255 3.096 20 5 BGBDRN Cc1cc(N[C@@H](C)c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000760273186 584907303 /nfs/dbraw/zinc/90/73/03/584907303.db2.gz PXNLHLOWNSQCEU-JTQLQIEISA-N 0 0 245.282 3.404 20 5 BGBDRN Cc1cc(N[C@H](C)c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000760273195 584907320 /nfs/dbraw/zinc/90/73/20/584907320.db2.gz PXNLHLOWNSQCEU-SNVBAGLBSA-N 0 0 245.282 3.404 20 5 BGBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc[nH]1 ZINC000760274087 585388351 /nfs/dbraw/zinc/38/83/51/585388351.db2.gz RVXHNYILMFJORI-MRVPVSSYSA-N 0 0 249.245 3.235 20 5 BGBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc[nH]1 ZINC000760274088 585388676 /nfs/dbraw/zinc/38/86/76/585388676.db2.gz RVXHNYILMFJORI-QMMMGPOBSA-N 0 0 249.245 3.235 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc[nH]2)c1 ZINC000760274164 585388695 /nfs/dbraw/zinc/38/86/95/585388695.db2.gz SZFWFUQMFAGOLL-JTQLQIEISA-N 0 0 245.282 3.404 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc[nH]2)c1 ZINC000760274166 585388571 /nfs/dbraw/zinc/38/85/71/585388571.db2.gz SZFWFUQMFAGOLL-SNVBAGLBSA-N 0 0 245.282 3.404 20 5 BGBDRN Cc1ccc(N[C@@H](C)c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000760274795 585388651 /nfs/dbraw/zinc/38/86/51/585388651.db2.gz VNSWPLHWWNSXLO-JTQLQIEISA-N 0 0 245.282 3.404 20 5 BGBDRN Cc1ccc(N[C@H](C)c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000760274798 585388697 /nfs/dbraw/zinc/38/86/97/585388697.db2.gz VNSWPLHWWNSXLO-SNVBAGLBSA-N 0 0 245.282 3.404 20 5 BGBDRN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccc[nH]1 ZINC000760275501 585388684 /nfs/dbraw/zinc/38/86/84/585388684.db2.gz ZSXRGOWOTNPUHL-MRVPVSSYSA-N 0 0 249.245 3.235 20 5 BGBDRN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccc[nH]1 ZINC000760275502 585388556 /nfs/dbraw/zinc/38/85/56/585388556.db2.gz ZSXRGOWOTNPUHL-QMMMGPOBSA-N 0 0 249.245 3.235 20 5 BGBDRN CCN(CCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000760597105 585394451 /nfs/dbraw/zinc/39/44/51/585394451.db2.gz MDVKMCRPWRONRJ-UHFFFAOYSA-N 0 0 234.299 3.221 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCCC3)cc1 ZINC000760603691 585394547 /nfs/dbraw/zinc/39/45/47/585394547.db2.gz LAWVIUIYCUOWTP-UHFFFAOYSA-N 0 0 246.310 3.365 20 5 BGBDRN C/C=C(\C)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000760973606 585402934 /nfs/dbraw/zinc/40/29/34/585402934.db2.gz MBBKWJUZAGAFID-LLGDCAAFSA-N 0 0 249.266 3.165 20 5 BGBDRN C/C=C(\C)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000760973607 585402997 /nfs/dbraw/zinc/40/29/97/585402997.db2.gz MBBKWJUZAGAFID-WXLQGSQKSA-N 0 0 249.266 3.165 20 5 BGBDRN C[C@@H]1CC2(CCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000763035361 585441879 /nfs/dbraw/zinc/44/18/79/585441879.db2.gz LTJHZOIHLFBVKA-LLVKDONJSA-N 0 0 246.310 3.364 20 5 BGBDRN C[C@H]1CC2(CCC2)CN1c1ccc([N+](=O)[O-])cc1 ZINC000763035364 585441912 /nfs/dbraw/zinc/44/19/12/585441912.db2.gz LTJHZOIHLFBVKA-NSHDSACASA-N 0 0 246.310 3.364 20 5 BGBDRN CC(=O)c1c(NC2CCCC2)cccc1[N+](=O)[O-] ZINC000763207104 585444573 /nfs/dbraw/zinc/44/45/73/585444573.db2.gz QSZSQYAUJSTETI-UHFFFAOYSA-N 0 0 248.282 3.152 20 5 BGBDRN CCCCNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000763207816 585444448 /nfs/dbraw/zinc/44/44/48/585444448.db2.gz ZQWVWMOTCCHRJG-UHFFFAOYSA-N 0 0 236.271 3.009 20 5 BGBDRN Cc1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000764185219 585461433 /nfs/dbraw/zinc/46/14/33/585461433.db2.gz DEDFFVUFOXMOSP-GFCCVEGCSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000764185279 585461307 /nfs/dbraw/zinc/46/13/07/585461307.db2.gz DEDFFVUFOXMOSP-LBPRGKRZSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C2CC2)C1 ZINC000764186742 585461185 /nfs/dbraw/zinc/46/11/85/585461185.db2.gz JUURGQWKTVGKGP-GFCCVEGCSA-N 0 0 246.310 3.140 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C2CC2)C1 ZINC000764186746 585461231 /nfs/dbraw/zinc/46/12/31/585461231.db2.gz JUURGQWKTVGKGP-LBPRGKRZSA-N 0 0 246.310 3.140 20 5 BGBDRN CC(C)CONc1ccc([N+](=O)[O-])cc1Cl ZINC000766925037 585511889 /nfs/dbraw/zinc/51/18/89/585511889.db2.gz WDQPYLWQQVTIGB-UHFFFAOYSA-N 0 0 244.678 3.248 20 5 BGBDRN CC/C=C\CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000767053438 585513219 /nfs/dbraw/zinc/51/32/19/585513219.db2.gz KFFVJCHVGKTILY-ARJAWSKDSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C/CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000767053440 585513235 /nfs/dbraw/zinc/51/32/35/585513235.db2.gz KFFVJCHVGKTILY-ONEGZZNKSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C\CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000767099457 644672909 /nfs/dbraw/zinc/67/29/09/644672909.db2.gz KTUGHYLJZHWABG-ARJAWSKDSA-N 0 0 239.246 3.469 20 5 BGBDRN CC/C=C/CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000767099458 644673128 /nfs/dbraw/zinc/67/31/28/644673128.db2.gz KTUGHYLJZHWABG-ONEGZZNKSA-N 0 0 239.246 3.469 20 5 BGBDRN CCc1ccc(OC/C=C\Cl)c([N+](=O)[O-])c1 ZINC000768387986 585537722 /nfs/dbraw/zinc/53/77/22/585537722.db2.gz ZPKFARNKGDCGTD-UTCJRWHESA-N 0 0 241.674 3.289 20 5 BGBDRN CCc1ccc(OC/C=C/Cl)c([N+](=O)[O-])c1 ZINC000768387987 585537586 /nfs/dbraw/zinc/53/75/86/585537586.db2.gz ZPKFARNKGDCGTD-ZZXKWVIFSA-N 0 0 241.674 3.289 20 5 BGBDRN C/C=C(/C)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000770511891 585575140 /nfs/dbraw/zinc/57/51/40/585575140.db2.gz FKOUIZFOAQSAPK-FWAPLPHYSA-N 0 0 249.266 3.165 20 5 BGBDRN C/C=C(\C)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000770511892 585575030 /nfs/dbraw/zinc/57/50/30/585575030.db2.gz FKOUIZFOAQSAPK-LLGDCAAFSA-N 0 0 249.266 3.165 20 5 BGBDRN C/C=C(\C)C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000770511893 585575433 /nfs/dbraw/zinc/57/54/33/585575433.db2.gz FKOUIZFOAQSAPK-WXLQGSQKSA-N 0 0 249.266 3.165 20 5 BGBDRN C/C=C(/C)C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000770511894 585575360 /nfs/dbraw/zinc/57/53/60/585575360.db2.gz FKOUIZFOAQSAPK-ZUYFITGHSA-N 0 0 249.266 3.165 20 5 BGBDRN CC[C@@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])cc1 ZINC000771690395 585599043 /nfs/dbraw/zinc/59/90/43/585599043.db2.gz NSZVFDDAARYHAF-GHMZBOCLSA-N 0 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BMIUBIPDJYESKA-GHMZBOCLSA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@H]1C[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000774533774 585661017 /nfs/dbraw/zinc/66/10/17/585661017.db2.gz BMIUBIPDJYESKA-MNOVXSKESA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@H]1C[C@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000774533775 585660849 /nfs/dbraw/zinc/66/08/49/585660849.db2.gz BMIUBIPDJYESKA-QWRGUYRKSA-N 0 0 234.299 3.220 20 5 BGBDRN CC[C@@H]1C[C@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000774533776 585660795 /nfs/dbraw/zinc/66/07/95/585660795.db2.gz BMIUBIPDJYESKA-WDEREUQCSA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000774534733 585660843 /nfs/dbraw/zinc/66/08/43/585660843.db2.gz QHAIMDXLILEZAF-JTQLQIEISA-N 0 0 234.299 3.220 20 5 BGBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000774534734 585660893 /nfs/dbraw/zinc/66/08/93/585660893.db2.gz QHAIMDXLILEZAF-SNVBAGLBSA-N 0 0 234.299 3.220 20 5 BGBDRN O=[N+]([O-])CCSCc1cccc2ccccc21 ZINC000775193171 585673301 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585760465 /nfs/dbraw/zinc/76/04/65/585760465.db2.gz QOFAUQLTOLKVFP-MDZDMXLPSA-N 0 0 248.282 3.280 20 5 BGBDRN CC/C(C)=C(/C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000779743179 585760612 /nfs/dbraw/zinc/76/06/12/585760612.db2.gz QYCWYTNNQMHHDR-KTKRTIGZSA-N 0 0 248.282 3.280 20 5 BGBDRN CC/C(C)=C(\C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000779743180 585760600 /nfs/dbraw/zinc/76/06/00/585760600.db2.gz QYCWYTNNQMHHDR-MDZDMXLPSA-N 0 0 248.282 3.280 20 5 BGBDRN O=[N+]([O-])c1ccccc1NC12CCC(CC1)C2 ZINC000784203899 585852834 /nfs/dbraw/zinc/85/28/34/585852834.db2.gz CAXBCIZQQPBAAA-UHFFFAOYSA-N 0 0 232.283 3.339 20 5 BGBDRN Cc1cnc(NC23CCC(CC2)C3)c([N+](=O)[O-])c1 ZINC000784204997 585852833 /nfs/dbraw/zinc/85/28/33/585852833.db2.gz OSENETWMXFBBFM-UHFFFAOYSA-N 0 0 247.298 3.043 20 5 BGBDRN O=[N+]([O-])c1ccc(NC23CCC(CC2)C3)cc1 ZINC000784207324 585852754 /nfs/dbraw/zinc/85/27/54/585852754.db2.gz ZDKVMAITGNCTKZ-UHFFFAOYSA-N 0 0 232.283 3.339 20 5 BGBDRN CC(C)(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 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235.287 3.015 20 5 BGBDRN CNc1ccc([N+](=O)[O-])cc1NCC1CCCC1 ZINC000843300338 588098441 /nfs/dbraw/zinc/09/84/41/588098441.db2.gz JOSBGCPXDJWXIR-UHFFFAOYSA-N 0 0 249.314 3.239 20 5 BGBDRN CNc1ccc([N+](=O)[O-])cc1NCC1=CCCC1 ZINC000843301087 588098425 /nfs/dbraw/zinc/09/84/25/588098425.db2.gz SUNOCWLKQCACCU-UHFFFAOYSA-N 0 0 247.298 3.159 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCC23CCCC3)cc1 ZINC000845588933 588234385 /nfs/dbraw/zinc/23/43/85/588234385.db2.gz YPRQFYYUXMPVKS-UHFFFAOYSA-N 0 0 232.283 3.118 20 5 BGBDRN CC(C)=CCCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000849626844 588481491 /nfs/dbraw/zinc/48/14/91/588481491.db2.gz BNNALHDOWRUJCP-UHFFFAOYSA-N 0 0 249.266 3.108 20 5 BGBDRN CC(C)=CCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000849630409 588482038 /nfs/dbraw/zinc/48/20/38/588482038.db2.gz ZXILUAOZSXERER-UHFFFAOYSA-N 0 0 249.266 3.108 20 5 BGBDRN CC(C)=CCCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000849669405 588485123 /nfs/dbraw/zinc/48/51/23/588485123.db2.gz CRICYWNFLJCAJC-UHFFFAOYSA-N 0 0 249.266 3.108 20 5 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CC[C@@H](C)CONc1cc(C)sc1[N+](=O)[O-] ZINC000853642872 588751890 /nfs/dbraw/zinc/75/18/90/588751890.db2.gz UBZDUKBEYVSXIH-SSDOTTSWSA-N 0 0 244.316 3.354 20 5 BGBDRN CC[C@H](C)CONc1cc(C)sc1[N+](=O)[O-] ZINC000853642875 588751938 /nfs/dbraw/zinc/75/19/38/588751938.db2.gz UBZDUKBEYVSXIH-ZETCQYMHSA-N 0 0 244.316 3.354 20 5 BGBDRN C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000853649801 588752304 /nfs/dbraw/zinc/75/23/04/588752304.db2.gz DPYRIHRJQZOJHO-HTQZYQBOSA-N 0 0 240.690 3.093 20 5 BGBDRN C[C@@H]1[C@@H](C)CN1c1cc(Cl)ccc1[N+](=O)[O-] ZINC000853649802 588752272 /nfs/dbraw/zinc/75/22/72/588752272.db2.gz DPYRIHRJQZOJHO-JGVFFNPUSA-N 0 0 240.690 3.093 20 5 BGBDRN C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000853649803 588751803 /nfs/dbraw/zinc/75/18/03/588751803.db2.gz DPYRIHRJQZOJHO-SFYZADRCSA-N 0 0 240.690 3.093 20 5 BGBDRN C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000853649804 588751759 /nfs/dbraw/zinc/75/17/59/588751759.db2.gz DPYRIHRJQZOJHO-YUMQZZPRSA-N 0 0 240.690 3.093 20 5 BGBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000853649941 588752182 /nfs/dbraw/zinc/75/21/82/588752182.db2.gz HZVNQCJSCRDPIQ-HTQZYQBOSA-N 0 0 240.690 3.093 20 5 BGBDRN C[C@@H]1[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1Cl ZINC000853649942 588752343 /nfs/dbraw/zinc/75/23/43/588752343.db2.gz HZVNQCJSCRDPIQ-JGVFFNPUSA-N 0 0 240.690 3.093 20 5 BGBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000853649943 588752368 /nfs/dbraw/zinc/75/23/68/588752368.db2.gz HZVNQCJSCRDPIQ-SFYZADRCSA-N 0 0 240.690 3.093 20 5 BGBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000853649944 588752199 /nfs/dbraw/zinc/75/21/99/588752199.db2.gz HZVNQCJSCRDPIQ-YUMQZZPRSA-N 0 0 240.690 3.093 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CCCC[C@@H]21 ZINC000853718883 588759203 /nfs/dbraw/zinc/75/92/03/588759203.db2.gz IMHMQCNRRDGXCD-FZMZJTMJSA-N 0 0 246.310 3.282 20 5 BGBDRN Cc1ccc(N2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000853719383 588759211 /nfs/dbraw/zinc/75/92/11/588759211.db2.gz NOOVMJAYAWOOPK-RYUDHWBXSA-N 0 0 246.310 3.282 20 5 BGBDRN CC[C@@H](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000853789737 588763533 /nfs/dbraw/zinc/76/35/33/588763533.db2.gz FDVZHLPCSSMUED-SECBINFHSA-N 0 0 237.303 3.025 20 5 BGBDRN CC[C@H](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000853789738 588763567 /nfs/dbraw/zinc/76/35/67/588763567.db2.gz FDVZHLPCSSMUED-VIFPVBQESA-N 0 0 237.303 3.025 20 5 BGBDRN CC[C@@H](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000853789873 588763630 /nfs/dbraw/zinc/76/36/30/588763630.db2.gz JCAKXCATIZUTDU-SECBINFHSA-N 0 0 237.303 3.025 20 5 BGBDRN CC[C@H](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000853789874 583067201 /nfs/dbraw/zinc/06/72/01/583067201.db2.gz JCAKXCATIZUTDU-VIFPVBQESA-N 0 0 237.303 3.025 20 5 BGBDRN Cc1cc(N[C@@H]2C=CCC2)c([N+](=O)[O-])s1 ZINC000853797948 588763891 /nfs/dbraw/zinc/76/38/91/588763891.db2.gz JANUHLZCJBKZRU-MRVPVSSYSA-N 0 0 224.285 3.095 20 5 BGBDRN Cc1cc(N[C@H]2C=CCC2)c([N+](=O)[O-])s1 ZINC000853797949 588763864 /nfs/dbraw/zinc/76/38/64/588763864.db2.gz JANUHLZCJBKZRU-QMMMGPOBSA-N 0 0 224.285 3.095 20 5 BGBDRN Nc1ccc(NCCCC2CCC2)c([N+](=O)[O-])c1 ZINC000853849249 588765802 /nfs/dbraw/zinc/76/58/02/588765802.db2.gz IUBZOYBCYQWLIO-UHFFFAOYSA-N 0 0 249.314 3.169 20 5 BGBDRN Nc1ccc([N+](=O)[O-])c(NCCCC2CCC2)c1 ZINC000853849845 588765917 /nfs/dbraw/zinc/76/59/17/588765917.db2.gz ZLJQFUVWEPEYTK-UHFFFAOYSA-N 0 0 249.314 3.169 20 5 BGBDRN CC(C)[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000853919548 583071008 /nfs/dbraw/zinc/07/10/08/583071008.db2.gz ABMGWJDSSRBPDH-CYBMUJFWSA-N 0 0 249.314 3.024 20 5 BGBDRN CC(C)[C@H](Nc1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000853919549 583070835 /nfs/dbraw/zinc/07/08/35/583070835.db2.gz ABMGWJDSSRBPDH-ZDUSSCGKSA-N 0 0 249.314 3.024 20 5 BGBDRN CC(C)[C@@H](Nc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000853920272 588769003 /nfs/dbraw/zinc/76/90/03/588769003.db2.gz HQJNWRXOYBJBHQ-CYBMUJFWSA-N 0 0 249.314 3.024 20 5 BGBDRN CC(C)[C@H](Nc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000853920273 588769024 /nfs/dbraw/zinc/76/90/24/588769024.db2.gz HQJNWRXOYBJBHQ-ZDUSSCGKSA-N 0 0 249.314 3.024 20 5 BGBDRN CC1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000853965546 588770524 /nfs/dbraw/zinc/77/05/24/588770524.db2.gz ZJAICAGLDLEYJA-FTNCPSPGSA-N 0 0 246.310 3.362 20 5 BGBDRN Cc1ccc(N2CC(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000856789759 588877757 /nfs/dbraw/zinc/87/77/57/588877757.db2.gz OYLYLOJEIQBPPW-UHFFFAOYSA-N 0 0 246.310 3.140 20 5 BGBDRN O=[N+]([O-])c1c(F)cccc1NCC1CC=CC1 ZINC000858682087 588973924 /nfs/dbraw/zinc/97/39/24/588973924.db2.gz PMOSIKUMKFYGRC-UHFFFAOYSA-N 0 0 236.246 3.112 20 5 BGBDRN O=[N+]([O-])c1ccc(N2CCCC3(CC3)CC2)cc1 ZINC000858835865 588977970 /nfs/dbraw/zinc/97/79/70/588977970.db2.gz QPZWLUZHJJGYRG-UHFFFAOYSA-N 0 0 246.310 3.365 20 5 BGBDRN CC(C)SCOc1ccccc1[N+](=O)[O-] ZINC000863223211 589272418 /nfs/dbraw/zinc/27/24/18/589272418.db2.gz QZNBYKSNEBYDRD-UHFFFAOYSA-N 0 0 227.285 3.073 20 5 BGBDRN CC(C)SCOc1ccc([N+](=O)[O-])cc1 ZINC000863223445 589272530 /nfs/dbraw/zinc/27/25/30/589272530.db2.gz XPVDOOAGHISITQ-UHFFFAOYSA-N 0 0 227.285 3.073 20 5 BGBDRN CCCOCOc1ccc([N+](=O)[O-])cc1Cl ZINC000863224854 589273065 /nfs/dbraw/zinc/27/30/65/589273065.db2.gz LHMVXXCPFFIDNP-UHFFFAOYSA-N 0 0 245.662 3.011 20 5 BGBDRN CC(C)SCOc1cccc([N+](=O)[O-])c1 ZINC000863225112 589273064 /nfs/dbraw/zinc/27/30/64/589273064.db2.gz SCZWTWJMGQRFKO-UHFFFAOYSA-N 0 0 227.285 3.073 20 5 BGBDRN CC(C)SCOc1cc(F)ccc1[N+](=O)[O-] ZINC000863227521 589273248 /nfs/dbraw/zinc/27/32/48/589273248.db2.gz NNDMSEOHZXIIQH-UHFFFAOYSA-N 0 0 245.275 3.212 20 5 BGBDRN CCCOCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000863258417 589275026 /nfs/dbraw/zinc/27/50/26/589275026.db2.gz HFBQFEGJDRDVAQ-UHFFFAOYSA-N 0 0 245.662 3.011 20 5 BGBDRN Cc1ccc([N+](=O)[O-])c(OCSC(C)C)c1 ZINC000863264770 589275227 /nfs/dbraw/zinc/27/52/27/589275227.db2.gz LLFSBYVORIWLMT-UHFFFAOYSA-N 0 0 241.312 3.381 20 5 BGBDRN Cc1cc(OCSC(C)C)ccc1[N+](=O)[O-] ZINC000863265421 589275029 /nfs/dbraw/zinc/27/50/29/589275029.db2.gz VMADWYNAEATMHK-UHFFFAOYSA-N 0 0 241.312 3.381 20 5 BGBDRN Cc1ccc(OCSC(C)C)c([N+](=O)[O-])c1 ZINC000863268398 589275268 /nfs/dbraw/zinc/27/52/68/589275268.db2.gz WCWNFQLWNPTYKH-UHFFFAOYSA-N 0 0 241.312 3.381 20 5 BGBDRN CC(C)SCOc1ccc([N+](=O)[O-])cc1F ZINC000863292088 589276914 /nfs/dbraw/zinc/27/69/14/589276914.db2.gz UUVNGJNNGCCDSB-UHFFFAOYSA-N 0 0 245.275 3.212 20 5 BGBDRN Cc1ccc([N+](=O)[O-])cc1OCSC(C)C ZINC000863292091 589275270 /nfs/dbraw/zinc/27/52/70/589275270.db2.gz UYYNQUYXQPUEOO-UHFFFAOYSA-N 0 0 241.312 3.381 20 5 BGBDRN Cc1c(OCSC(C)C)cccc1[N+](=O)[O-] ZINC000863292269 589276756 /nfs/dbraw/zinc/27/67/56/589276756.db2.gz FCZMICLHHHORDI-UHFFFAOYSA-N 0 0 241.312 3.381 20 5 BGBDRN CC(C)SCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000863296881 589277275 /nfs/dbraw/zinc/27/72/75/589277275.db2.gz MVAUQTBMDWTAQY-UHFFFAOYSA-N 0 0 245.275 3.212 20 5 BGBDRN CCCOCSCc1ccc([N+](=O)[O-])cc1 ZINC000863312064 589278421 /nfs/dbraw/zinc/27/84/21/589278421.db2.gz BZWIYAMRSBIUHQ-UHFFFAOYSA-N 0 0 241.312 3.212 20 5 BGBDRN CC(C)SCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000863312336 589278412 /nfs/dbraw/zinc/27/84/12/589278412.db2.gz FLGOIHNSQQOBLT-UHFFFAOYSA-N 0 0 245.275 3.212 20 5 BGBDRN CC(C)SCSc1ccc([N+](=O)[O-])cn1 ZINC000863313852 589278297 /nfs/dbraw/zinc/27/82/97/589278297.db2.gz WGSOECXFZYDRQS-UHFFFAOYSA-N 0 0 244.341 3.181 20 5 BGBDRN CCCOCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000863314450 589278380 /nfs/dbraw/zinc/27/83/80/589278380.db2.gz KMUAXSGPPGOSFI-UHFFFAOYSA-N 0 0 245.662 3.011 20 5 BGBDRN Cc1cc([N+](=O)[O-])ccc1OCSC(C)C ZINC000863314896 589278759 /nfs/dbraw/zinc/27/87/59/589278759.db2.gz CNUNPRNMHXPZAF-UHFFFAOYSA-N 0 0 241.312 3.381 20 5 BGBDRN Cc1ccc(OCSC(C)C)cc1[N+](=O)[O-] ZINC000863315006 589278977 /nfs/dbraw/zinc/27/89/77/589278977.db2.gz HNNASGUJLKFGMN-UHFFFAOYSA-N 0 0 241.312 3.381 20 5 BGBDRN Cc1cccc(OCSC(C)C)c1[N+](=O)[O-] ZINC000863315009 589278673 /nfs/dbraw/zinc/27/86/73/589278673.db2.gz HPWYAQOWUYIZER-UHFFFAOYSA-N 0 0 241.312 3.381 20 5 BGBDRN CCCOCSc1ccc([N+](=O)[O-])cc1F ZINC000863322770 589279672 /nfs/dbraw/zinc/27/96/72/589279672.db2.gz OQWGASOBEAMERC-UHFFFAOYSA-N 0 0 245.275 3.210 20 5 BGBDRN CC(C)SCOc1c(F)cccc1[N+](=O)[O-] ZINC000863323830 589279890 /nfs/dbraw/zinc/27/98/90/589279890.db2.gz VGELAVJOWQLXGK-UHFFFAOYSA-N 0 0 245.275 3.212 20 5 BGBDRN CCCOCSc1cccc([N+](=O)[O-])c1 ZINC000863333444 589280853 /nfs/dbraw/zinc/28/08/53/589280853.db2.gz PGDVGZVYEWVODM-UHFFFAOYSA-N 0 0 227.285 3.071 20 5 BGBDRN CCCOCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000863340501 589281085 /nfs/dbraw/zinc/28/10/85/589281085.db2.gz KUPBRYAIRUJNPE-UHFFFAOYSA-N 0 0 245.662 3.011 20 5 BGBDRN C[C@@H]1C[C@@H]1COc1cccc(Cl)c1[N+](=O)[O-] ZINC000863340910 589281221 /nfs/dbraw/zinc/28/12/21/589281221.db2.gz NZFGWBJVNJSVFH-HTQZYQBOSA-N 0 0 241.674 3.283 20 5 BGBDRN C[C@H]1C[C@@H]1COc1cccc(Cl)c1[N+](=O)[O-] ZINC000863340911 589281148 /nfs/dbraw/zinc/28/11/48/589281148.db2.gz NZFGWBJVNJSVFH-JGVFFNPUSA-N 0 0 241.674 3.283 20 5 BGBDRN C[C@@H]1C[C@H]1COc1cccc(Cl)c1[N+](=O)[O-] ZINC000863340912 589281192 /nfs/dbraw/zinc/28/11/92/589281192.db2.gz NZFGWBJVNJSVFH-SFYZADRCSA-N 0 0 241.674 3.283 20 5 BGBDRN C[C@H]1C[C@H]1COc1cccc(Cl)c1[N+](=O)[O-] ZINC000863340913 589281193 /nfs/dbraw/zinc/28/11/93/589281193.db2.gz NZFGWBJVNJSVFH-YUMQZZPRSA-N 0 0 241.674 3.283 20 5 BGBDRN O=[N+]([O-])c1sccc1N1CCCCCCC1 ZINC000864237067 589348610 /nfs/dbraw/zinc/34/86/10/589348610.db2.gz FDZJMLHTBZVGLK-UHFFFAOYSA-N 0 0 240.328 3.427 20 5 BGBDRN Cc1nn(C[C@@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000865333050 589421414 /nfs/dbraw/zinc/42/14/14/589421414.db2.gz QHCMVRLPTVULSO-MRVPVSSYSA-N 0 0 239.319 3.090 20 5 BGBDRN Cc1nn(C[C@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000865333051 589421700 /nfs/dbraw/zinc/42/17/00/589421700.db2.gz QHCMVRLPTVULSO-QMMMGPOBSA-N 0 0 239.319 3.090 20 5 BGBDRN C[C@H](COc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000865346049 589422976 /nfs/dbraw/zinc/42/29/76/589422976.db2.gz LNQBDWRDACKEKR-SECBINFHSA-N 0 0 238.287 3.051 20 5 BGBDRN C[C@@H](COc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000865346051 589423061 /nfs/dbraw/zinc/42/30/61/589423061.db2.gz LNQBDWRDACKEKR-VIFPVBQESA-N 0 0 238.287 3.051 20 5 BGBDRN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCC1 ZINC000865426888 589435144 /nfs/dbraw/zinc/43/51/44/589435144.db2.gz ZMVMOCRVTHCGDT-UHFFFAOYSA-N 0 0 247.081 3.112 20 5 BGBDRN C[C@@H]1CCN1c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865463612 589438019 /nfs/dbraw/zinc/43/80/19/589438019.db2.gz BQPVVOIIAFRBNX-SSDOTTSWSA-N 0 0 242.225 3.131 20 5 BGBDRN C[C@H]1CCN1c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865463614 589437920 /nfs/dbraw/zinc/43/79/20/589437920.db2.gz BQPVVOIIAFRBNX-ZETCQYMHSA-N 0 0 242.225 3.131 20 5 BGBDRN CON(CC(C)(C)C)c1ccsc1[N+](=O)[O-] ZINC000865798989 589462399 /nfs/dbraw/zinc/46/23/99/589462399.db2.gz DIWFYVXKOZIFTA-UHFFFAOYSA-N 0 0 244.316 3.070 20 5 BGBDRN CC[C@@H](C)CONc1ccsc1[N+](=O)[O-] ZINC000865826749 589463488 /nfs/dbraw/zinc/46/34/88/589463488.db2.gz AZZTTWAYHJNDPZ-SSDOTTSWSA-N 0 0 230.289 3.046 20 5 BGBDRN CC[C@H](C)CONc1ccsc1[N+](=O)[O-] ZINC000865826750 589463508 /nfs/dbraw/zinc/46/35/08/589463508.db2.gz AZZTTWAYHJNDPZ-ZETCQYMHSA-N 0 0 230.289 3.046 20 5 BGBDRN CCON(CC)c1ccc([N+](=O)[O-])cc1Cl ZINC000866306581 589485260 /nfs/dbraw/zinc/48/52/60/589485260.db2.gz JOQMJSXPQMGBOL-UHFFFAOYSA-N 0 0 244.678 3.026 20 5 BGBDRN CCON(CC)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000866307204 589485567 /nfs/dbraw/zinc/48/55/67/589485567.db2.gz UMNSLYQIZYHRKZ-UHFFFAOYSA-N 0 0 244.678 3.026 20 5 BGBDRN CC(C)(C)SCOc1ccccc1[N+](=O)[O-] ZINC000871630812 589779302 /nfs/dbraw/zinc/77/93/02/589779302.db2.gz SZBPINRXAKEMGF-UHFFFAOYSA-N 0 0 241.312 3.463 20 5 BGBDRN CCC1(CC)CCCN1c1ncccc1[N+](=O)[O-] ZINC000872765751 589966780 /nfs/dbraw/zinc/96/67/80/589966780.db2.gz ADNHBKOROFEEMN-UHFFFAOYSA-N 0 0 249.314 3.149 20 5 BGBDRN CCC1(CC)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000872765959 589966790 /nfs/dbraw/zinc/96/67/90/589966790.db2.gz KUJDEKREKUSELJ-UHFFFAOYSA-N 0 0 249.314 3.149 20 5 BGBDRN CCC1(CC)CCCN1c1ccc([N+](=O)[O-])nc1 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