smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1ccc(-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000095938050 388791665 /nfs/dbraw/zinc/79/16/65/388791665.db2.gz WCYRXVMGXNYTNF-UHFFFAOYSA-N 1 2 217.184 1.593 10 5 BDBELO C[C@@H](Cc1c[nH+]c2ccccn12)[N+](=O)[O-] ZINC000089201057 383942985 /nfs/dbraw/zinc/94/29/85/383942985.db2.gz XIAMDGIMCWJEPP-QMMMGPOBSA-N 1 2 205.217 1.542 10 5 BDBELO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000050517151 167119609 /nfs/dbraw/zinc/11/96/09/167119609.db2.gz KOIRFJPIVTYYEQ-UHFFFAOYSA-N 1 2 210.233 1.798 10 5 BDBELO CCNc1cc(Cn2ccc([N+](=O)[O-])n2)cc[nH+]1 ZINC000052733875 170172959 /nfs/dbraw/zinc/17/29/59/170172959.db2.gz PKOVJFWZNHWPGY-UHFFFAOYSA-N 1 2 247.258 1.666 10 5 BDBELO CCOC(=O)[C@@H]([NH3+])c1ccccc1[N+](=O)[O-] ZINC000039186809 170254908 /nfs/dbraw/zinc/25/49/08/170254908.db2.gz ZICLRTSSQWUNIR-VIFPVBQESA-N 1 2 224.216 1.158 10 5 BDBELO O=[N+]([O-])c1cc([C@H]2CCC[NH2+]2)ccc1O ZINC000072201972 343068772 /nfs/dbraw/zinc/06/87/72/343068772.db2.gz AHVFNDQFVWCPNY-MRVPVSSYSA-N 1 2 208.217 1.725 10 5 BDBELO O=[N+]([O-])c1cc([C@H]2[NH2+]CCS2)cs1 ZINC000050522918 344705567 /nfs/dbraw/zinc/70/55/67/344705567.db2.gz IWZLIVKDSHFLSJ-ZETCQYMHSA-N 1 2 216.287 1.991 10 5 BDBELO CCn1cc[nH+]c1Cn1cnc([N+](=O)[O-])c1 ZINC000195517356 388475831 /nfs/dbraw/zinc/47/58/31/388475831.db2.gz KNZTXEUSMADXLJ-UHFFFAOYSA-N 1 2 221.220 1.056 10 5 BDBELO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1COC1 ZINC000094710372 175201161 /nfs/dbraw/zinc/20/11/61/175201161.db2.gz JSPCILNDEDUFKR-UHFFFAOYSA-N 1 2 238.243 1.092 10 5 BDBELO C[C@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000091302147 177035542 /nfs/dbraw/zinc/03/55/42/177035542.db2.gz QIYBRUQLBAEJGZ-SNVBAGLBSA-N 1 2 236.271 1.988 10 5 BDBELO O=[N+]([O-])c1cc([C@H]2CCC[NH2+]C2)ccc1O ZINC000039150092 343119238 /nfs/dbraw/zinc/11/92/38/343119238.db2.gz OLYTYHXZKRUJAS-VIFPVBQESA-N 1 2 222.244 1.767 10 5 BDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1CCOC1)CC2 ZINC000408065064 385550718 /nfs/dbraw/zinc/55/07/18/385550718.db2.gz XNUVOIATGHRYRN-SNVBAGLBSA-N 1 2 249.270 1.137 10 5 BDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1CCOC1)CC2 ZINC000408065064 385550720 /nfs/dbraw/zinc/55/07/20/385550720.db2.gz XNUVOIATGHRYRN-SNVBAGLBSA-N 1 2 249.270 1.137 10 5 BDBELO CC(C)(Cc1c[nH+]c2ccccn12)[N+](=O)[O-] ZINC000034328829 187257543 /nfs/dbraw/zinc/25/75/43/187257543.db2.gz JKDKTULUMZAUSA-UHFFFAOYSA-N 1 2 219.244 1.932 10 5 BDBELO [NH3+][C@H](CF)c1cc(O)ccc1[N+](=O)[O-] ZINC000238684417 345109464 /nfs/dbraw/zinc/10/94/64/345109464.db2.gz UBEDCZTWOSGFPH-SSDOTTSWSA-N 1 2 200.169 1.270 10 5 BDBELO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC12CCC2 ZINC000081515777 345482639 /nfs/dbraw/zinc/48/26/39/345482639.db2.gz KCHRPRMMNSHIFW-UHFFFAOYSA-N 1 2 236.275 1.457 10 5 BDBELO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC12CCC2 ZINC000081515777 345482640 /nfs/dbraw/zinc/48/26/40/345482640.db2.gz KCHRPRMMNSHIFW-UHFFFAOYSA-N 1 2 236.275 1.457 10 5 BDBELO [NH3+][C@H](CC(F)F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000575437671 387109867 /nfs/dbraw/zinc/10/98/67/387109867.db2.gz NPYLRQHKBOTRCW-ZCFIWIBFSA-N 1 2 232.186 1.955 10 5 BDBELO Cc1nccc(C[NH2+]Cc2ccc([N+](=O)[O-])o2)n1 ZINC000038037681 187262409 /nfs/dbraw/zinc/26/24/09/187262409.db2.gz ZNHCVJADUBRLHS-UHFFFAOYSA-N 1 2 248.242 1.576 10 5 BDBELO CCn1cc[nH+]c1Cn1cc([N+](=O)[O-])cn1 ZINC000195517391 367366016 /nfs/dbraw/zinc/36/60/16/367366016.db2.gz CKIYHBHJYGQQJP-UHFFFAOYSA-N 1 2 221.220 1.056 10 5 BDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@H]1CCOC1)CC2 ZINC000408065062 385551394 /nfs/dbraw/zinc/55/13/94/385551394.db2.gz XNUVOIATGHRYRN-JTQLQIEISA-N 1 2 249.270 1.137 10 5 BDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@H]1CCOC1)CC2 ZINC000408065062 385551399 /nfs/dbraw/zinc/55/13/99/385551399.db2.gz XNUVOIATGHRYRN-JTQLQIEISA-N 1 2 249.270 1.137 10 5 BDBELO CC(C)Nc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040597852 167150958 /nfs/dbraw/zinc/15/09/58/167150958.db2.gz UJWFWTVJNNRYGO-UHFFFAOYSA-N 1 2 248.246 1.391 10 5 BDBELO C[C@@H](O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000035631815 358009464 /nfs/dbraw/zinc/00/94/64/358009464.db2.gz OYACEVBMZZGXRV-MRVPVSSYSA-N 1 2 233.227 1.834 10 5 BDBELO [NH3+][C@H](CCF)c1ccc(O)c([N+](=O)[O-])c1 ZINC000575438770 387119481 /nfs/dbraw/zinc/11/94/81/387119481.db2.gz JDLGQSMPXRBBTB-SSDOTTSWSA-N 1 2 214.196 1.660 10 5 BDBELO CC(C)n1cc[nH+]c1Cn1nccc1[N+](=O)[O-] ZINC000195517497 388475713 /nfs/dbraw/zinc/47/57/13/388475713.db2.gz GMTZYWLERPRDJV-UHFFFAOYSA-N 1 2 235.247 1.617 10 5 BDBELO C[C@H]1CCC[N@@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037911687 177109752 /nfs/dbraw/zinc/10/97/52/177109752.db2.gz FUROFPGEJRWUBB-QMMMGPOBSA-N 1 2 237.259 1.590 10 5 BDBELO C[C@H]1CCC[N@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037911687 177109753 /nfs/dbraw/zinc/10/97/53/177109753.db2.gz FUROFPGEJRWUBB-QMMMGPOBSA-N 1 2 237.259 1.590 10 5 BDBELO CC[NH+](CC)[C@H]1C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000106485785 398284670 /nfs/dbraw/zinc/28/46/70/398284670.db2.gz DNYUCQMQRLTHDG-LLVKDONJSA-N 1 2 249.270 1.930 10 5 BDBELO CCOC(=O)[C@H]([NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000069553657 359320177 /nfs/dbraw/zinc/32/01/77/359320177.db2.gz BEXGIUAYHSHIDA-SECBINFHSA-N 1 2 238.243 1.028 10 5 BDBELO O=[N+]([O-])c1ccc(Cl)nc1-n1cc[nH+]c1 ZINC000037066137 361623025 /nfs/dbraw/zinc/62/30/25/361623025.db2.gz OECBHHMISRFBRE-UHFFFAOYSA-N 1 2 224.607 1.829 10 5 BDBELO Cc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000222182836 368362288 /nfs/dbraw/zinc/36/22/88/368362288.db2.gz AATNKYSDRRZUEE-UHFFFAOYSA-N 1 2 236.271 1.735 10 5 BDBELO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000050517065 169268520 /nfs/dbraw/zinc/26/85/20/169268520.db2.gz XJQATOZJVMNMLB-UHFFFAOYSA-N 1 2 210.233 1.800 10 5 BDBELO CC(C)[NH2+]Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000048408656 167119907 /nfs/dbraw/zinc/11/99/07/167119907.db2.gz NUDBHVBDYXWIDJ-UHFFFAOYSA-N 1 2 210.233 1.798 10 5 BDBELO CCNc1ccc(Cn2cc([N+](=O)[O-])cn2)c[nH+]1 ZINC000050818269 170174450 /nfs/dbraw/zinc/17/44/50/170174450.db2.gz XWMOBUIEAAWDCT-UHFFFAOYSA-N 1 2 247.258 1.666 10 5 BDBELO Nc1c[nH]c(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000521400789 384628986 /nfs/dbraw/zinc/62/89/86/384628986.db2.gz PBKWMOFWNXJNOB-UHFFFAOYSA-N 1 2 204.189 1.567 10 5 BDBELO [NH3+][C@H](CCF)c1cc(O)ccc1[N+](=O)[O-] ZINC000575439810 387125982 /nfs/dbraw/zinc/12/59/82/387125982.db2.gz XYBZBELJVGETDN-MRVPVSSYSA-N 1 2 214.196 1.660 10 5 BDBELO CC(C)n1cc[nH+]c1Cn1cnc([N+](=O)[O-])c1 ZINC000195517357 388475677 /nfs/dbraw/zinc/47/56/77/388475677.db2.gz BKPICGBJIULGRS-UHFFFAOYSA-N 1 2 235.247 1.617 10 5 BDBELO CNc1nc(N)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000253562219 398290340 /nfs/dbraw/zinc/29/03/40/398290340.db2.gz DAPITPORCBSPJW-UHFFFAOYSA-N 1 2 219.204 1.162 10 5 BDBELO Nc1ccc(-c2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000584880952 343081593 /nfs/dbraw/zinc/08/15/93/343081593.db2.gz SXHRZKSQOKNOCV-UHFFFAOYSA-N 1 2 216.200 1.464 10 5 BDBELO Cc1ccc2[nH+]c(CCO)cn2c1[N+](=O)[O-] ZINC000585656075 346652863 /nfs/dbraw/zinc/65/28/63/346652863.db2.gz CRYKGTOPLVXEPE-UHFFFAOYSA-N 1 2 221.216 1.086 10 5 BDBELO CCCNc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040597257 169297044 /nfs/dbraw/zinc/29/70/44/169297044.db2.gz ZSVXLFVQHBGISP-UHFFFAOYSA-N 1 2 248.246 1.392 10 5 BDBELO [NH3+][C@H](CC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000575437698 387108575 /nfs/dbraw/zinc/10/85/75/387108575.db2.gz PAOYGBVHUULGMX-SSDOTTSWSA-N 1 2 232.186 1.955 10 5 BDBELO O=Cc1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000026514479 583690678 /nfs/dbraw/zinc/69/06/78/583690678.db2.gz CFDVICWOTNDAGT-UHFFFAOYSA-N 1 2 217.184 1.593 10 5 BDBELO [NH3+][C@@H](CC(F)F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000575438961 387121551 /nfs/dbraw/zinc/12/15/51/387121551.db2.gz NPYLRQHKBOTRCW-LURJTMIESA-N 1 2 232.186 1.955 10 5 BDBELO COc1ccc(NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000083378105 175153492 /nfs/dbraw/zinc/15/34/92/175153492.db2.gz WUXFYINYRODPKQ-UHFFFAOYSA-N 1 2 248.242 1.939 10 5 BDBELO Cc1cn(-c2ccc(N)c([N+](=O)[O-])c2)c[nH+]1 ZINC000216649888 344150567 /nfs/dbraw/zinc/15/05/67/344150567.db2.gz JDEBDWJWUVXBGE-UHFFFAOYSA-N 1 2 218.216 1.671 10 5 BDBELO O=[N+]([O-])c1ccc([C@@H]2[NH2+]CCS2)s1 ZINC000236407462 346236586 /nfs/dbraw/zinc/23/65/86/346236586.db2.gz MPMVRKFGZIUKLI-SSDOTTSWSA-N 1 2 216.287 1.991 10 5 BDBELO O=[N+]([O-])c1cc(Cl)nc(-n2cc[nH+]c2)c1 ZINC000236040880 344287303 /nfs/dbraw/zinc/28/73/03/344287303.db2.gz KPHOBFKQXQGAPA-UHFFFAOYSA-N 1 2 224.607 1.829 10 5 BDBELO O=[N+]([O-])c1ccc([C@H]2[NH2+]CCS2)s1 ZINC000236407536 346236382 /nfs/dbraw/zinc/23/63/82/346236382.db2.gz MPMVRKFGZIUKLI-ZETCQYMHSA-N 1 2 216.287 1.991 10 5 BDBELO O=[N+]([O-])c1ccc(C[NH+]2CC(O)(C3CC3)C2)cc1 ZINC000089678509 362922264 /nfs/dbraw/zinc/92/22/64/362922264.db2.gz IMFXAZMXPGJWPN-UHFFFAOYSA-N 1 2 248.282 1.552 10 5 BDBELO [NH3+][C@@H](CF)c1cc(O)ccc1[N+](=O)[O-] ZINC000238573369 345080359 /nfs/dbraw/zinc/08/03/59/345080359.db2.gz UBEDCZTWOSGFPH-ZETCQYMHSA-N 1 2 200.169 1.270 10 5 BDBELO O=[N+]([O-])c1cccc(CC[NH+]2CCOCC2)c1 ZINC000142416617 373481384 /nfs/dbraw/zinc/48/13/84/373481384.db2.gz VXEWASGHIWSSSH-UHFFFAOYSA-N 1 2 236.271 1.470 10 5 BDBELO [NH3+][C@@H](CCF)c1ccc(O)c([N+](=O)[O-])c1 ZINC000575440120 387127212 /nfs/dbraw/zinc/12/72/12/387127212.db2.gz JDLGQSMPXRBBTB-ZETCQYMHSA-N 1 2 214.196 1.660 10 5 BDBELO Cc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])o2)cn1 ZINC000061320537 518191620 /nfs/dbraw/zinc/19/16/20/518191620.db2.gz VBCICNDWCGONOO-UHFFFAOYSA-N 1 2 248.242 1.576 10 5 BDBELO [NH3+][C@@H](CF)c1ccc(O)c([N+](=O)[O-])c1 ZINC000238574439 361157032 /nfs/dbraw/zinc/15/70/32/361157032.db2.gz LDCVIIOBFGNWSG-LURJTMIESA-N 1 2 200.169 1.270 10 5 BDBELO O=[N+]([O-])c1cc([C@@H]2[NH2+]CCS2)cs1 ZINC000050522916 344706193 /nfs/dbraw/zinc/70/61/93/344706193.db2.gz IWZLIVKDSHFLSJ-SSDOTTSWSA-N 1 2 216.287 1.991 10 5 BDBELO O=[N+]([O-])c1cccc(C[NH+]2CCC2)c1F ZINC000306468605 360083247 /nfs/dbraw/zinc/08/32/47/360083247.db2.gz OCOSGUBSKCXDPU-UHFFFAOYSA-N 1 2 210.208 1.940 10 5 BDBELO O=[N+]([O-])c1ccc([C@H]2[NH2+]CCS2)o1 ZINC000050522817 384073495 /nfs/dbraw/zinc/07/34/95/384073495.db2.gz ZXHOUAGCSDRRFI-ZETCQYMHSA-N 1 2 200.219 1.523 10 5 BDBELO COc1ccc([N+](=O)[O-])cc1NCc1c[nH+]c[nH]1 ZINC000054764669 175200913 /nfs/dbraw/zinc/20/09/13/175200913.db2.gz NZJKEMWFGOAMGS-UHFFFAOYSA-N 1 2 248.242 1.939 10 5 BDBELO COc1ccc([N+](=O)[O-])cc1NCc1c[nH]c[nH+]1 ZINC000054764669 175200915 /nfs/dbraw/zinc/20/09/15/175200915.db2.gz NZJKEMWFGOAMGS-UHFFFAOYSA-N 1 2 248.242 1.939 10 5 BDBELO [NH3+][C@H](CF)c1ccc(O)c([N+](=O)[O-])c1 ZINC000238685120 361179005 /nfs/dbraw/zinc/17/90/05/361179005.db2.gz LDCVIIOBFGNWSG-ZCFIWIBFSA-N 1 2 200.169 1.270 10 5 BDBELO CCNc1ccc(Cn2cnc([N+](=O)[O-])n2)c[nH+]1 ZINC000050829595 170174187 /nfs/dbraw/zinc/17/41/87/170174187.db2.gz DXIIUEYHUWPUMR-UHFFFAOYSA-N 1 2 248.246 1.061 10 5 BDBELO Cc1ncc(-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000035570488 180123291 /nfs/dbraw/zinc/12/32/91/180123291.db2.gz FOEUFWLOBOQBQK-UHFFFAOYSA-N 1 2 204.189 1.484 10 5 BDBELO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH+]1CCOCC1 ZINC000725270512 538101865 /nfs/dbraw/zinc/10/18/65/538101865.db2.gz ALTPFCRJCBQLSA-GFCCVEGCSA-N 1 2 248.282 1.914 10 5 BDBELO O=[N+]([O-])c1c(F)cccc1-n1cc[nH+]c1 ZINC000054269752 359771380 /nfs/dbraw/zinc/77/13/80/359771380.db2.gz QYSUQICLXKZPNF-UHFFFAOYSA-N 1 2 207.164 1.920 10 5 BDBELO COCC[NH2+]Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000058055274 174335893 /nfs/dbraw/zinc/33/58/93/174335893.db2.gz CGGBLLNUSNJDOQ-UHFFFAOYSA-N 1 2 226.232 1.036 10 5 BDBELO COc1cc([N+](=O)[O-])ccc1NCc1[nH]cc[nH+]1 ZINC000049715176 175017935 /nfs/dbraw/zinc/01/79/35/175017935.db2.gz RSLOBJOCSGNYJB-UHFFFAOYSA-N 1 2 248.242 1.939 10 5 BDBELO Cc1cc(NN)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000032501208 178177520 /nfs/dbraw/zinc/17/75/20/178177520.db2.gz RZERHLVAIKAIBK-UHFFFAOYSA-N 1 2 218.216 1.737 10 5 BDBELO O=[N+]([O-])c1ccccc1C[NH+]1CC(O)(C2CC2)C1 ZINC000089678854 362922653 /nfs/dbraw/zinc/92/26/53/362922653.db2.gz ZBXBBJADRMTGRH-UHFFFAOYSA-N 1 2 248.282 1.552 10 5 BDBELO [NH3+][C@@H](CCF)c1cc(O)ccc1[N+](=O)[O-] ZINC000575439742 387125862 /nfs/dbraw/zinc/12/58/62/387125862.db2.gz XYBZBELJVGETDN-QMMMGPOBSA-N 1 2 214.196 1.660 10 5 BDBELO C[C@H](O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000035631814 177016620 /nfs/dbraw/zinc/01/66/20/177016620.db2.gz OYACEVBMZZGXRV-QMMMGPOBSA-N 1 2 233.227 1.834 10 5 BDBELO O=Cc1cc([N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC000034938852 636175084 /nfs/dbraw/zinc/17/50/84/636175084.db2.gz UITXILSRMBSAHY-UHFFFAOYSA-N 1 2 217.184 1.593 10 5 BDBELO C[C@H](Cc1c[nH+]c2ccccn12)[N+](=O)[O-] ZINC000089201060 383943979 /nfs/dbraw/zinc/94/39/79/383943979.db2.gz XIAMDGIMCWJEPP-MRVPVSSYSA-N 1 2 205.217 1.542 10 5 BDBELO O=[N+]([O-])c1ccc([C@@H]2[NH2+]CCS2)o1 ZINC000050522815 384073512 /nfs/dbraw/zinc/07/35/12/384073512.db2.gz ZXHOUAGCSDRRFI-SSDOTTSWSA-N 1 2 200.219 1.523 10 5 BDBELO NNc1nc(-c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000072417041 398137980 /nfs/dbraw/zinc/13/79/80/398137980.db2.gz GUMXOBHUINDWGF-UHFFFAOYSA-N 1 2 231.215 1.337 10 5 BDBELO O=[N+]([O-])c1cc([C@@H]2CCC[NH2+]C2)ccc1O ZINC000039150091 345367577 /nfs/dbraw/zinc/36/75/77/345367577.db2.gz OLYTYHXZKRUJAS-SECBINFHSA-N 1 2 222.244 1.767 10 5 BDBELO COc1ccc([N+](=O)[O-])cc1NCc1[nH]cc[nH+]1 ZINC000049715162 175201165 /nfs/dbraw/zinc/20/11/65/175201165.db2.gz YVBQXLJDJHFWDM-UHFFFAOYSA-N 1 2 248.242 1.939 10 5 BDBELO Nc1nc(NC2CC2)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000253577523 388616554 /nfs/dbraw/zinc/61/65/54/388616554.db2.gz XDSMKYHPDYGIIF-UHFFFAOYSA-N 1 2 245.242 1.695 10 5 BDBELO Cn1c[nH+]cc1-c1cccc([N+](=O)[O-])c1 ZINC000521401406 388672399 /nfs/dbraw/zinc/67/23/99/388672399.db2.gz YEOKMSZXUFMUHA-UHFFFAOYSA-N 1 2 203.201 1.995 10 5 BDBELO CC(C)Oc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040659705 167316075 /nfs/dbraw/zinc/31/60/75/167316075.db2.gz FUZXHQSAVCIJBB-UHFFFAOYSA-N 1 2 249.230 1.358 10 5 BDBELO CCNc1cc(Cn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000052732036 170173032 /nfs/dbraw/zinc/17/30/32/170173032.db2.gz ZZIKLPVHLJOKOB-UHFFFAOYSA-N 1 2 247.258 1.666 10 5 BDBELO CCOC(=O)[C@H]([NH3+])c1ccccc1[N+](=O)[O-] ZINC000039186808 170276272 /nfs/dbraw/zinc/27/62/72/170276272.db2.gz ZICLRTSSQWUNIR-SECBINFHSA-N 1 2 224.216 1.158 10 5 BDBELO COCC[NH2+]Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000060942016 174335863 /nfs/dbraw/zinc/33/58/63/174335863.db2.gz QUJWQYDUOHUZKN-UHFFFAOYSA-N 1 2 226.232 1.036 10 5 BDBELO COc1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000070163656 175043795 /nfs/dbraw/zinc/04/37/95/175043795.db2.gz AMHMQVYBILXHQS-UHFFFAOYSA-N 1 2 219.200 1.789 10 5 BDBELO [NH3+][C@@H](CC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000575437699 387109974 /nfs/dbraw/zinc/10/99/74/387109974.db2.gz PAOYGBVHUULGMX-ZETCQYMHSA-N 1 2 232.186 1.955 10 5 BDBELO C[N@@H+]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090505119 173109077 /nfs/dbraw/zinc/10/90/77/173109077.db2.gz LXYOFLLHFGLZOU-NSHDSACASA-N 1 2 222.244 1.598 10 5 BDBELO C[N@H+]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090505119 173109079 /nfs/dbraw/zinc/10/90/79/173109079.db2.gz LXYOFLLHFGLZOU-NSHDSACASA-N 1 2 222.244 1.598 10 5 BDBELO COc1ccc(NCc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000049715163 175152855 /nfs/dbraw/zinc/15/28/55/175152855.db2.gz XOOWPOQEKLJFAO-UHFFFAOYSA-N 1 2 248.242 1.939 10 5 BDBELO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH+]1CCOCC1 ZINC000725270513 538101868 /nfs/dbraw/zinc/10/18/68/538101868.db2.gz ALTPFCRJCBQLSA-LBPRGKRZSA-N 1 2 248.282 1.914 10 5 BDBELO CCC[NH2+]Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000048408897 169267021 /nfs/dbraw/zinc/26/70/21/169267021.db2.gz LVBOBKQDAFJJTQ-UHFFFAOYSA-N 1 2 210.233 1.800 10 5 BDBELO C[N@@H+]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090505123 173102948 /nfs/dbraw/zinc/10/29/48/173102948.db2.gz LXYOFLLHFGLZOU-LLVKDONJSA-N 1 2 222.244 1.598 10 5 BDBELO C[N@H+]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090505123 173102949 /nfs/dbraw/zinc/10/29/49/173102949.db2.gz LXYOFLLHFGLZOU-LLVKDONJSA-N 1 2 222.244 1.598 10 5 BDBELO O=[N+]([O-])c1cc([C@@H]2CCC[NH2+]2)ccc1O ZINC000072201971 343068502 /nfs/dbraw/zinc/06/85/02/343068502.db2.gz AHVFNDQFVWCPNY-QMMMGPOBSA-N 1 2 208.217 1.725 10 5 BDBELO O=[N+]([O-])c1cccc(C[NH+]2CC(O)(C3CC3)C2)c1 ZINC000089678446 362922765 /nfs/dbraw/zinc/92/27/65/362922765.db2.gz BBBFMWSFDULHDT-UHFFFAOYSA-N 1 2 248.282 1.552 10 5 BDBELO CCOC(=O)[C@@H]([NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000069553658 359320104 /nfs/dbraw/zinc/32/01/04/359320104.db2.gz BEXGIUAYHSHIDA-VIFPVBQESA-N 1 2 238.243 1.028 10 5 BDBELO Nc1cc([N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC000052841561 181691711 /nfs/dbraw/zinc/69/17/11/181691711.db2.gz SGFMXRFKDUYICA-UHFFFAOYSA-N 1 2 204.189 1.363 10 5 BDBELO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccncn1 ZINC000054789888 182950063 /nfs/dbraw/zinc/95/00/63/182950063.db2.gz ATQOMPUKJZZQEI-UHFFFAOYSA-N 1 2 244.254 1.675 10 5 BDBELO CCNc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040596653 170177879 /nfs/dbraw/zinc/17/78/79/170177879.db2.gz FJUXTNKRGIIRKA-UHFFFAOYSA-N 1 2 234.219 1.002 10 5 BDBELO O=Cc1cc(-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000197320865 711927053 /nfs/dbraw/zinc/92/70/53/711927053.db2.gz YNGPXTYKHMNFKX-UHFFFAOYSA-N 1 2 217.184 1.593 10 5 BDBELO NNc1nc(-c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000072417043 398137936 /nfs/dbraw/zinc/13/79/36/398137936.db2.gz XXLUQADSTXGYLN-UHFFFAOYSA-N 1 2 231.215 1.337 10 5 BDBELO C[C@@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000091302146 176016384 /nfs/dbraw/zinc/01/63/84/176016384.db2.gz QIYBRUQLBAEJGZ-JTQLQIEISA-N 1 2 236.271 1.988 10 5 BDBELO C[C@@H]1CCC[N@@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037911686 176108067 /nfs/dbraw/zinc/10/80/67/176108067.db2.gz FUROFPGEJRWUBB-MRVPVSSYSA-N 1 2 237.259 1.590 10 5 BDBELO C[C@@H]1CCC[N@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037911686 176108069 /nfs/dbraw/zinc/10/80/69/176108069.db2.gz FUROFPGEJRWUBB-MRVPVSSYSA-N 1 2 237.259 1.590 10 5 BDBELO