smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1F ZINC000050018876 398332252 /nfs/dbraw/zinc/33/22/52/398332252.db2.gz MGLFJUZFMICSSW-UHFFFAOYSA-N -1 0 215.136 1.441 50 5 BDBARM CC(C)(Oc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000005350655 187247444 /nfs/dbraw/zinc/24/74/44/187247444.db2.gz ONPMYXAEDVOABR-UHFFFAOYSA-N -1 0 225.200 1.837 50 5 BDBARM CCOc1cc(C=O)cc([N+](=O)[O-])c1[O-] ZINC000000089169 344245161 /nfs/dbraw/zinc/24/51/61/344245161.db2.gz MDWLNBVKBMKTKN-UHFFFAOYSA-N -1 0 211.173 1.512 50 5 BDBARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC([N+](=O)[O-])(C3)C2 ZINC000000108239 344545332 /nfs/dbraw/zinc/54/53/32/344545332.db2.gz VSRRAGQUKPLYMV-JZVMUCMXSA-N -1 0 225.244 1.687 50 5 BDBARM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[O-])c1 ZINC000019513889 178930434 /nfs/dbraw/zinc/93/04/34/178930434.db2.gz YPGHSCYRNRGHAJ-UHFFFAOYSA-N -1 0 225.200 1.757 50 5 BDBARM O=[N+]([O-])c1cc(Cl)cc(CO)c1[O-] ZINC000034651086 350097316 /nfs/dbraw/zinc/09/73/16/350097316.db2.gz GPKWEXOAODIYBU-UHFFFAOYSA-N -1 0 203.581 1.446 50 5 BDBARM O=C([O-])C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000218432314 538069733 /nfs/dbraw/zinc/06/97/33/538069733.db2.gz WDRIBUSFNVKGIQ-UHFFFAOYSA-N -1 0 213.120 1.001 50 5 BDBARM Cc1cccc(C(=O)C(=O)[O-])c1[N+](=O)[O-] ZINC000725261756 538087144 /nfs/dbraw/zinc/08/71/44/538087144.db2.gz FQLLEFPZCFUKJU-UHFFFAOYSA-N -1 0 209.157 1.171 50 5 BDBARM Cn1c2ccccc2c([O-])c([N+](=O)[O-])c1=O ZINC000009186825 180622737 /nfs/dbraw/zinc/62/27/37/180622737.db2.gz CXTJBGFUCIHFKL-UHFFFAOYSA-N -1 0 220.184 1.152 50 5 BDBARM O=C([O-])c1ccc2nc3ccccc3c(=O)n2c1 ZINC000003643560 353511411 /nfs/dbraw/zinc/51/14/11/353511411.db2.gz SORCQIVSPYWDSM-UHFFFAOYSA-N -1 0 240.218 1.546 50 5 BDBARM O=[N+]([O-])c1ccc(OP(=O)([O-])[O-])cc1 ZINC000001529638 356464158 /nfs/dbraw/zinc/46/41/58/356464158.db2.gz XZKIHKMTEMTJQX-UHFFFAOYSA-N -1 0 219.089 1.066 50 5 in-man,metabolite BDBARM O=[N+]([O-])c1ccc(F)c([S@](=O)[O-])c1 ZINC000675059268 538484355 /nfs/dbraw/zinc/48/43/55/538484355.db2.gz FPAATXUBHGPLFL-UHFFFAOYSA-N -1 0 205.166 1.315 50 5 BDBARM O=[N+]([O-])c1cc(Cl)c([O-])c([N+](=O)[O-])c1 ZINC000001555225 356701749 /nfs/dbraw/zinc/70/17/49/356701749.db2.gz PCBCIXWBAPIVDV-UHFFFAOYSA-N -1 0 218.552 1.862 50 5 BDBARM O=C([O-])c1ccnc2c1cccc2[N+](=O)[O-] ZINC000026439129 357118062 /nfs/dbraw/zinc/11/80/62/357118062.db2.gz ORRCVWMWVBLLBR-UHFFFAOYSA-N -1 0 218.168 1.841 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])c(F)c(F)c1F ZINC000016159648 182559120 /nfs/dbraw/zinc/55/91/20/182559120.db2.gz BCMIOBTWFPSPJJ-UHFFFAOYSA-N -1 0 221.090 1.710 50 5 BDBARM O=C([O-])c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000000335375 182576946 /nfs/dbraw/zinc/57/69/46/182576946.db2.gz QDXCLKKKDQFNQR-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM O=C1OCCC1=C([O-])c1ccccc1[N+](=O)[O-] ZINC000019898173 387091104 /nfs/dbraw/zinc/09/11/04/387091104.db2.gz HJJMZFWWAYITCI-QMMMGPOBSA-N -1 0 235.195 1.341 50 5 BDBARM O=C([O-])COc1ccc(F)cc1[N+](=O)[O-] ZINC000001706136 387471873 /nfs/dbraw/zinc/47/18/73/387471873.db2.gz HJYGFQJZJGUBLQ-UHFFFAOYSA-N -1 0 215.136 1.197 50 5 BDBARM CC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000034566207 166480252 /nfs/dbraw/zinc/48/02/52/166480252.db2.gz VWPOICRZRFJFMA-UHFFFAOYSA-N -1 0 209.157 1.496 50 5 BDBARM CCOC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000039240179 170293418 /nfs/dbraw/zinc/29/34/18/170293418.db2.gz KPDLTBYCZXVKQN-UHFFFAOYSA-N -1 0 211.173 1.477 50 5 BDBARM COCCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003888864 174341312 /nfs/dbraw/zinc/34/13/12/174341312.db2.gz RSCXWQLDHNTXQJ-UHFFFAOYSA-N -1 0 240.215 1.351 50 5 BDBARM C[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000040377461 175772511 /nfs/dbraw/zinc/77/25/11/175772511.db2.gz CWZLOWGUBYYQFV-ZETCQYMHSA-N -1 0 209.201 1.858 50 5 BDBARM C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000000080926 177029721 /nfs/dbraw/zinc/02/97/21/177029721.db2.gz MUDNTVKNHDLQJN-YFKPBYRVSA-N -1 0 228.229 1.555 50 5 BDBARM Cc1cc(=O)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000001601772 178205047 /nfs/dbraw/zinc/20/50/47/178205047.db2.gz CIZYXFOTWNJIQM-UHFFFAOYSA-N -1 0 219.200 1.795 50 5 BDBARM COC(=O)Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000034785090 358452188 /nfs/dbraw/zinc/45/21/88/358452188.db2.gz SPCRIUSIYZYZKN-UHFFFAOYSA-N -1 0 211.173 1.016 50 5 BDBARM CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000004343146 187247037 /nfs/dbraw/zinc/24/70/37/187247037.db2.gz BNXDVUXLIGVUFL-UHFFFAOYSA-N -1 0 238.199 1.560 50 5 BDBARM CC(C)Cc1[nH]nc(C(=O)[O-])c1[N+](=O)[O-] ZINC000022160372 187254819 /nfs/dbraw/zinc/25/48/19/187254819.db2.gz GWHMCRICRIJFNS-UHFFFAOYSA-N -1 0 213.193 1.215 50 5 in-vitro BDBARM O=[N+]([O-])c1ncc(Br)cc1[O-] ZINC000071864175 187276179 /nfs/dbraw/zinc/27/61/79/187276179.db2.gz OOPJQYJTWRBGME-UHFFFAOYSA-N -1 0 218.994 1.458 50 5 BDBARM Cc1ccc([N-]S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000004772911 344206569 /nfs/dbraw/zinc/20/65/69/344206569.db2.gz ZJYPBPBXLHONNC-UHFFFAOYSA-N -1 0 230.245 1.275 50 5 BDBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]Cl)c1 ZINC000146218788 345961577 /nfs/dbraw/zinc/96/15/77/345961577.db2.gz PZRVKSIRUAJJTO-UHFFFAOYSA-N -1 0 236.636 1.027 50 5 BDBARM O=C([O-])c1cc2c(cccc2[N+](=O)[O-])[nH]1 ZINC000034284047 346241937 /nfs/dbraw/zinc/24/19/37/346241937.db2.gz MDWCXENHATUMDQ-UHFFFAOYSA-N -1 0 206.157 1.774 50 5 BDBARM Cc1c(C(=O)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000725261804 538086445 /nfs/dbraw/zinc/08/64/45/538086445.db2.gz IRNAXTKQLFBGBP-UHFFFAOYSA-N -1 0 209.157 1.171 50 5 BDBARM Cc1cccc([N+](=O)[O-])c1C(=O)C(=O)[O-] ZINC000725261898 538087780 /nfs/dbraw/zinc/08/77/80/538087780.db2.gz MMOZUWLZQPMAHS-UHFFFAOYSA-N -1 0 209.157 1.171 50 5 BDBARM Cc1[n-]c2n[nH]c(=O)c-2c(C)c1[N+](=O)[O-] ZINC000000975062 350962079 /nfs/dbraw/zinc/96/20/79/350962079.db2.gz JQPYQYUTDZZMSH-UHFFFAOYSA-N -1 0 208.177 1.189 50 5 BDBARM O=C([O-])c1nc(Cl)ccc1[N+](=O)[O-] ZINC000067175737 187959056 /nfs/dbraw/zinc/95/90/56/187959056.db2.gz MHDMSQFCLBRNES-UHFFFAOYSA-N -1 0 202.553 1.341 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000001673442 357100295 /nfs/dbraw/zinc/10/02/95/357100295.db2.gz ADTKEYLCJYYHHH-UHFFFAOYSA-N -1 0 246.562 1.855 50 5 BDBARM O=C([O-])[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000037380807 363845427 /nfs/dbraw/zinc/84/54/27/363845427.db2.gz MZCREXORTQFYPP-IUCAKERBSA-N -1 0 207.185 1.783 50 5 BDBARM O=C([O-])c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002540295 371576029 /nfs/dbraw/zinc/57/60/29/371576029.db2.gz BVXNARQDSJOTOW-UHFFFAOYSA-N -1 0 230.107 1.340 50 5 BDBARM Cc1ccc([C@H]([NH3+])P(=O)([O-])[O-])cc1[N+](=O)[O-] ZINC000003329307 371957679 /nfs/dbraw/zinc/95/76/79/371957679.db2.gz DQYCDZNZYYPHFZ-MRVPVSSYSA-N -1 0 246.159 1.038 50 5 BDBARM COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000004245179 372182181 /nfs/dbraw/zinc/18/21/81/372182181.db2.gz XEQLRISLKFDSEK-UHFFFAOYSA-N -1 0 240.215 1.368 50 5 BDBARM O=C([O-])/C=C/c1cc(F)cc(F)c1[N+](=O)[O-] ZINC000263623273 182411283 /nfs/dbraw/zinc/41/12/83/182411283.db2.gz GDHVLNMAASLZQZ-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM O=C([O-])c1cc(Cl)ncc1[N+](=O)[O-] ZINC000072190670 182555243 /nfs/dbraw/zinc/55/52/43/182555243.db2.gz YIKBSICAFIIUER-UHFFFAOYSA-N -1 0 202.553 1.341 50 5 BDBARM O=C([O-])C1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000070569442 384581671 /nfs/dbraw/zinc/58/16/71/384581671.db2.gz RACDUYKKXZNEMY-UHFFFAOYSA-N -1 0 222.200 1.116 50 5 BDBARM O=C([O-])/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000153592 385263217 /nfs/dbraw/zinc/26/32/17/385263217.db2.gz GJAIAEVUUHUHTE-OWOJBTEDSA-N -1 0 237.167 1.421 50 5 BDBARM O=C([O-])COc1cc([N+](=O)[O-])cc2cccnc21 ZINC000000548337 385492061 /nfs/dbraw/zinc/49/20/61/385492061.db2.gz OULUYXOZBJNYRY-UHFFFAOYSA-N -1 0 248.194 1.606 50 5 BDBARM Cn1nc(C(=O)[O-])c2cc([N+](=O)[O-])ccc21 ZINC000095742832 388785256 /nfs/dbraw/zinc/78/52/56/388785256.db2.gz LTGCETNXDDEADX-UHFFFAOYSA-N -1 0 221.172 1.180 50 5 BDBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000001081136 174949386 /nfs/dbraw/zinc/94/93/86/174949386.db2.gz WWCMFGBGMJAJRX-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM COc1cc(OC)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000005046491 175008134 /nfs/dbraw/zinc/00/81/34/175008134.db2.gz UNEDSISIPFONDA-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM CCS(=O)(=O)[N-]c1ccccc1[N+](=O)[O-] ZINC000004716815 487918867 /nfs/dbraw/zinc/91/88/67/487918867.db2.gz CSDTYWJZJMCQKN-UHFFFAOYSA-N -1 0 230.245 1.356 50 5 BDBARM CNc1ccc([N+](=O)[O-])c(Cl)c1C(=O)[O-] ZINC000536953772 323961448 /nfs/dbraw/zinc/96/14/48/323961448.db2.gz JVHXTXCRHBTYBS-UHFFFAOYSA-N -1 0 230.607 1.988 50 5 BDBARM Cn1cnc2cc([N+](=O)[O-])c(C(=O)[O-])cc21 ZINC000012543531 346901962 /nfs/dbraw/zinc/90/19/62/346901962.db2.gz GNPYRRIUJYQQOF-UHFFFAOYSA-N -1 0 221.172 1.180 50 5 BDBARM CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000004777573 187247505 /nfs/dbraw/zinc/24/75/05/187247505.db2.gz ZGQMZVWPCVHENS-UHFFFAOYSA-N -1 0 225.200 1.837 50 5 BDBARM O=C([O-])c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000002164727 187245221 /nfs/dbraw/zinc/24/52/21/187245221.db2.gz HKKWSIQQYJTJLW-UHFFFAOYSA-N -1 0 212.117 1.201 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])c(F)cc1F ZINC000002527709 371568636 /nfs/dbraw/zinc/56/86/36/371568636.db2.gz MDFSGDMPHMKKGB-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM CC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000002557815 371580421 /nfs/dbraw/zinc/58/04/21/371580421.db2.gz BZJNECLYYSXWTC-MRVPVSSYSA-N -1 0 225.200 1.837 50 5 BDBARM C[C@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000003137059 371884383 /nfs/dbraw/zinc/88/43/83/371884383.db2.gz URBPRESWNDSZNO-IMTBSYHQSA-N -1 0 225.200 1.349 50 5 BDBARM O=C(NCCCF)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097163941 182166980 /nfs/dbraw/zinc/16/69/80/182166980.db2.gz RBNAHUABTUVSDM-UHFFFAOYSA-N -1 0 242.206 1.390 50 5 BDBARM Cc1[n-]n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000100277881 384631588 /nfs/dbraw/zinc/63/15/88/384631588.db2.gz NMWHQZMIFHSGTN-UHFFFAOYSA-N -1 0 219.200 1.382 50 5 BDBARM O=C([O-])/C=C/c1cc(F)cc([N+](=O)[O-])c1F ZINC000263624057 385009245 /nfs/dbraw/zinc/00/92/45/385009245.db2.gz NBHCNAIQUDKOKT-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM O=C([O-])/C=C/c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000263623231 385009617 /nfs/dbraw/zinc/00/96/17/385009617.db2.gz FTMLZTNLBBRTOT-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1[O-] ZINC000040449960 388416668 /nfs/dbraw/zinc/41/66/68/388416668.db2.gz JUPAQXIPCUOHNL-UHFFFAOYSA-N -1 0 231.591 1.740 50 5 BDBARM O=C([O-])Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000008782178 388671339 /nfs/dbraw/zinc/67/13/39/388671339.db2.gz RQQGKHZHIROOGO-UHFFFAOYSA-N -1 0 226.144 1.130 50 5 BDBARM Cc1c(C(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000019872712 388750853 /nfs/dbraw/zinc/75/08/53/388750853.db2.gz OKNMMXSNHQCDPF-UHFFFAOYSA-N -1 0 240.171 1.818 50 5 BDBARM Cn1ccc(NCc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000095415562 388768074 /nfs/dbraw/zinc/76/80/74/388768074.db2.gz KFMNUJGYDZUIFD-UHFFFAOYSA-N -1 0 248.242 1.646 50 5 BDBARM Cn1nc(C(=O)[O-])c2cccc([N+](=O)[O-])c21 ZINC000095743449 388785614 /nfs/dbraw/zinc/78/56/14/388785614.db2.gz UTCNKUIJBXIDOB-UHFFFAOYSA-N -1 0 221.172 1.180 50 5 BDBARM Cc1c(OCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000035282900 177624968 /nfs/dbraw/zinc/62/49/68/177624968.db2.gz APUCWHLALOFKQE-UHFFFAOYSA-N -1 0 211.173 1.367 50 5 BDBARM CCOc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000039099812 170586231 /nfs/dbraw/zinc/58/62/31/170586231.db2.gz BUYJNLXTGLXKKY-UHFFFAOYSA-N -1 0 211.173 1.692 50 5 BDBARM COc1cc([N+](=O)[O-])c([O-])cc1Cl ZINC000169725145 175017472 /nfs/dbraw/zinc/01/74/72/175017472.db2.gz GGWLSLLQZLCHFW-UHFFFAOYSA-N -1 0 203.581 1.962 50 5 BDBARM COc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000003750873 175087090 /nfs/dbraw/zinc/08/70/90/175087090.db2.gz GYXAPUUDUHBTSB-UHFFFAOYSA-N -1 0 211.173 1.231 50 5 BDBARM Cc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001673682 177571667 /nfs/dbraw/zinc/57/16/67/177571667.db2.gz CDVNZMKTJIBBBV-UHFFFAOYSA-N -1 0 226.144 1.510 50 5 BDBARM O=C1CCCN1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000034887551 342692362 /nfs/dbraw/zinc/69/23/62/342692362.db2.gz GRLGCHKOOUWBEV-UHFFFAOYSA-N -1 0 222.200 1.427 50 5 BDBARM O=[N+]([O-])c1ccc(Cl)c([S@](=O)[O-])c1 ZINC000016975340 342918463 /nfs/dbraw/zinc/91/84/63/342918463.db2.gz BATQLIHIWSGZNZ-UHFFFAOYSA-N -1 0 221.621 1.829 50 5 BDBARM O=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000012395462 344515263 /nfs/dbraw/zinc/51/52/63/344515263.db2.gz FHLYLGPMPNMDKU-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM Nc1cc(NCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000005335265 346264563 /nfs/dbraw/zinc/26/45/63/346264563.db2.gz OTEUDDWEYRHJTG-UHFFFAOYSA-N -1 0 225.204 1.064 50 5 BDBARM Cc1nn(C[C@@H](C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000002732061 180390299 /nfs/dbraw/zinc/39/02/99/180390299.db2.gz DFANDWKEUBXWKL-RXMQYKEDSA-N -1 0 227.220 1.129 50 5 BDBARM O=C([O-])c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000001495011 355870622 /nfs/dbraw/zinc/87/06/22/355870622.db2.gz LHFOJSCXLFKDIR-UHFFFAOYSA-N -1 0 206.157 1.774 50 5 BDBARM O=[N+]([O-])c1ccc([S@@](=O)[O-])c(Cl)c1 ZINC000125976103 538526854 /nfs/dbraw/zinc/52/68/54/538526854.db2.gz RGCNVOVHURGJNT-UHFFFAOYSA-N -1 0 221.621 1.829 50 5 BDBARM O=C([O-])c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000007023353 361176982 /nfs/dbraw/zinc/17/69/82/361176982.db2.gz VORLKHCMDHXIQH-UHFFFAOYSA-N -1 0 218.168 1.841 50 5 BDBARM Nc1c(F)c(F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000008699306 372854347 /nfs/dbraw/zinc/85/43/47/372854347.db2.gz WXXHOWQPFHXRDY-UHFFFAOYSA-N -1 0 218.115 1.153 50 5 BDBARM COc1ccc([S@@](=O)[O-])c([N+](=O)[O-])c1 ZINC000039369802 372957050 /nfs/dbraw/zinc/95/70/50/372957050.db2.gz BHPHSJAGLHXVAL-UHFFFAOYSA-N -1 0 217.202 1.184 50 5 BDBARM O=C([O-])CSCc1ccccc1[N+](=O)[O-] ZINC000002164745 182472345 /nfs/dbraw/zinc/47/23/45/182472345.db2.gz DUZOLSSGVIWWSU-UHFFFAOYSA-N -1 0 227.241 1.913 50 5 BDBARM O=C([O-])c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000092430 182560279 /nfs/dbraw/zinc/56/02/79/182560279.db2.gz VZOCWMKJXRWWFI-UHFFFAOYSA-N -1 0 235.151 1.399 50 5 biogenic BDBARM Cc1nc(C(=O)[O-])nn1-c1ccc([N+](=O)[O-])cc1 ZINC000000167596 383829431 /nfs/dbraw/zinc/82/94/31/383829431.db2.gz AGPQLGNAAHYBPG-UHFFFAOYSA-N -1 0 248.198 1.182 50 5 BDBARM O=C([O-])CSCc1ccc([N+](=O)[O-])cc1 ZINC000000263444 383990739 /nfs/dbraw/zinc/99/07/39/383990739.db2.gz VBACFDMVHJLUGP-UHFFFAOYSA-N -1 0 227.241 1.913 50 5 BDBARM O=C([O-])COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000000112247 385221989 /nfs/dbraw/zinc/22/19/89/385221989.db2.gz JYCUJLCLZHPKMS-UHFFFAOYSA-N -1 0 231.591 1.712 50 5 BDBARM O=C([O-])CNSc1ccccc1[N+](=O)[O-] ZINC000034628301 385608434 /nfs/dbraw/zinc/60/84/34/385608434.db2.gz BCPNDPYJZOYENE-UHFFFAOYSA-N -1 0 228.229 1.276 50 5 BDBARM CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000004256731 322812783 /nfs/dbraw/zinc/81/27/83/322812783.db2.gz QKTQWLSLKHKTST-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 BDBARM O=C([O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000038537281 388404910 /nfs/dbraw/zinc/40/49/10/388404910.db2.gz RZESONLWCQFNHX-UHFFFAOYSA-N -1 0 217.127 1.771 50 5 BDBARM O=[N+]([O-])c1ccc(N2CCOCC2)cc1[O-] ZINC000035127973 132337566 /nfs/dbraw/zinc/33/75/66/132337566.db2.gz XXIIDARBNMZFEH-UHFFFAOYSA-N -1 0 224.216 1.137 50 5 BDBARM CCOC(=O)c1ccc([O-])cc1[N+](=O)[O-] ZINC000000345705 170296994 /nfs/dbraw/zinc/29/69/94/170296994.db2.gz GHUFFYRUAHAHQQ-UHFFFAOYSA-N -1 0 211.173 1.477 50 5 BDBARM COc1cc([N+](=O)[O-])c(C=O)c([N+](=O)[O-])c1[O-] ZINC000003132165 175018220 /nfs/dbraw/zinc/01/82/20/175018220.db2.gz PGHGLHGQSJXFCY-UHFFFAOYSA-N -1 0 242.143 1.030 50 5 BDBARM COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1OC ZINC000001062453 175064427 /nfs/dbraw/zinc/06/44/27/175064427.db2.gz QZYYEGRMWJAHBY-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000002526131 176004835 /nfs/dbraw/zinc/00/48/35/176004835.db2.gz OYYFEDUOOFSUGM-ZCFIWIBFSA-N -1 0 211.173 1.447 50 5 BDBARM C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000000371757 176006355 /nfs/dbraw/zinc/00/63/55/176006355.db2.gz MALMTWYTOBLCBT-ZCFIWIBFSA-N -1 0 211.173 1.447 50 5 BDBARM COc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000043386544 343060582 /nfs/dbraw/zinc/06/05/82/343060582.db2.gz JZBPCFNVEBZSTB-UHFFFAOYSA-N -1 0 211.173 1.610 50 5 BDBARM CCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000000043837 344060317 /nfs/dbraw/zinc/06/03/17/344060317.db2.gz GZHXYRWGRKIXEJ-UHFFFAOYSA-N -1 0 211.173 1.692 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])c(F)c1F ZINC000096028572 187288900 /nfs/dbraw/zinc/28/89/00/187288900.db2.gz MNVKJEDUWUEZEQ-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)[O-] ZINC000000266313 344666299 /nfs/dbraw/zinc/66/62/99/344666299.db2.gz UHDDZDBGJPLMET-UHFFFAOYSA-N -1 0 247.638 1.618 50 5 BDBARM C[C@@H](CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000000345369 344709259 /nfs/dbraw/zinc/70/92/59/344709259.db2.gz USRRVEPWXBCMKZ-ZETCQYMHSA-N -1 0 237.211 1.888 50 5 BDBARM CC(=O)Nc1c(C(=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000005378840 346202818 /nfs/dbraw/zinc/20/28/18/346202818.db2.gz IOWLTUJPRIXYEY-UHFFFAOYSA-N -1 0 238.199 1.560 50 5 BDBARM O=C([O-])C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000725261855 538087811 /nfs/dbraw/zinc/08/78/11/538087811.db2.gz KPRPJOYHQNWWBJ-UHFFFAOYSA-N -1 0 229.575 1.516 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000001707954 357165823 /nfs/dbraw/zinc/16/58/23/357165823.db2.gz PCTFIHOVQYYAMH-UHFFFAOYSA-N -1 0 246.562 1.855 50 5 BDBARM O=C([O-])Cc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000038537112 182487472 /nfs/dbraw/zinc/48/74/72/182487472.db2.gz KZNVCGPCWKYPKD-UHFFFAOYSA-N -1 0 217.127 1.500 50 5 BDBARM O=C([O-])Cc1nnc(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000014951278 182494595 /nfs/dbraw/zinc/49/45/95/182494595.db2.gz PUDWBRMRYFQHKH-UHFFFAOYSA-N -1 0 248.198 1.007 50 5 BDBARM O=C([O-])c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000088613820 182558223 /nfs/dbraw/zinc/55/82/23/182558223.db2.gz CQVWKJISSWKGQX-UHFFFAOYSA-N -1 0 225.185 1.298 50 5 BDBARM O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000001841206 383939173 /nfs/dbraw/zinc/93/91/73/383939173.db2.gz FLJXIBHYDIMYRS-UHFFFAOYSA-N -1 0 212.117 1.021 50 5 BDBARM COC(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000014985763 386032725 /nfs/dbraw/zinc/03/27/25/386032725.db2.gz KRACQAXEQJJYLE-UHFFFAOYSA-N -1 0 225.156 1.080 50 5 BDBARM O=C([O-])CCn1ncc2ccc([N+](=O)[O-])cc21 ZINC000019385904 386335099 /nfs/dbraw/zinc/33/50/99/386335099.db2.gz UXHLCFYVXHTHSO-UHFFFAOYSA-N -1 0 235.199 1.419 50 5 BDBARM O=C([O-])COc1ccc([N+](=O)[O-])c(F)c1 ZINC000035359202 387603325 /nfs/dbraw/zinc/60/33/25/387603325.db2.gz ITHOGDVBQQBPIZ-UHFFFAOYSA-N -1 0 215.136 1.197 50 5 BDBARM O=C([O-])CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000002528036 388841220 /nfs/dbraw/zinc/84/12/20/388841220.db2.gz RIGFMUNSTCPGNP-UHFFFAOYSA-N -1 0 239.183 1.113 50 5 BDBARM O=[N+]([O-])c1ccc(N2CCSCC2)cc1[O-] ZINC000020413274 132250742 /nfs/dbraw/zinc/25/07/42/132250742.db2.gz WPHUXQNQLFSVOT-UHFFFAOYSA-N -1 0 240.284 1.854 50 5 BDBARM CN1C[C@@H](C(=O)[O-])Cc2cc([N+](=O)[O-])ccc21 ZINC000009060927 132319151 /nfs/dbraw/zinc/31/91/51/132319151.db2.gz JNZPILYOQKTPQL-QMMMGPOBSA-N -1 0 236.227 1.288 50 5 BDBARM CCNc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-] ZINC000004558896 170174407 /nfs/dbraw/zinc/17/44/07/170174407.db2.gz BFJZKEZZZONBAR-UHFFFAOYSA-N -1 0 246.244 1.273 50 5 BDBARM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1Cl ZINC000071788966 170301322 /nfs/dbraw/zinc/30/13/22/170301322.db2.gz FETZVQJUBMRFJE-UHFFFAOYSA-N -1 0 246.606 1.526 50 5 BDBARM COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000004343573 175017687 /nfs/dbraw/zinc/01/76/87/175017687.db2.gz ASODNZCPFZQUKR-UHFFFAOYSA-N -1 0 214.133 1.217 50 5 BDBARM COc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000034543908 175087139 /nfs/dbraw/zinc/08/71/39/175087139.db2.gz XCGMUHYKYLADKO-UHFFFAOYSA-N -1 0 211.173 1.231 50 5 BDBARM Cc1c(C(=O)[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000012505327 177572392 /nfs/dbraw/zinc/57/23/92/177572392.db2.gz VKYUNNZXZFGGND-UHFFFAOYSA-N -1 0 248.198 1.182 50 5 BDBARM O=C([O-])c1c(O)ccc([N+](=O)[O-])c1Cl ZINC000536954071 343652864 /nfs/dbraw/zinc/65/28/64/343652864.db2.gz MWHWHZYRIJDIED-UHFFFAOYSA-N -1 0 217.564 1.652 50 5 BDBARM CC(C)(CC(=O)[O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000068675222 187274729 /nfs/dbraw/zinc/27/47/29/187274729.db2.gz IQGVXFYKFNVCRJ-UHFFFAOYSA-N -1 0 238.243 1.929 50 5 BDBARM CCOc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000005027747 344905779 /nfs/dbraw/zinc/90/57/79/344905779.db2.gz XRKKMLOKFZITPU-UHFFFAOYSA-N -1 0 211.173 1.692 50 5 BDBARM Cc1[n-]n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000015019319 180330822 /nfs/dbraw/zinc/33/08/22/180330822.db2.gz CSZUPFBQJWAETQ-UHFFFAOYSA-N -1 0 219.200 1.795 50 5 BDBARM O=C([O-])[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000037380815 363611834 /nfs/dbraw/zinc/61/18/34/363611834.db2.gz MZCREXORTQFYPP-RKDXNWHRSA-N -1 0 207.185 1.783 50 5 BDBARM C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000004105167 372140864 /nfs/dbraw/zinc/14/08/64/372140864.db2.gz BIKAQDFSUOACQG-SCSAIBSYSA-N -1 0 245.622 1.528 50 5 BDBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc[nH]n1 ZINC000095979844 182349852 /nfs/dbraw/zinc/34/98/52/182349852.db2.gz RHNYTKZDUFPOQS-UHFFFAOYSA-N -1 0 248.198 1.276 50 5 BDBARM O=C([O-])CCC1([N+](=O)[O-])CCCCC1 ZINC000000300740 182434139 /nfs/dbraw/zinc/43/41/39/182434139.db2.gz XXXQETGJIDWHGR-UHFFFAOYSA-N -1 0 201.222 1.831 50 5 BDBARM O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1Cl ZINC000003209697 182946699 /nfs/dbraw/zinc/94/66/99/182946699.db2.gz IXSMZHBEKVLFQI-UHFFFAOYSA-N -1 0 237.620 1.495 50 5 BDBARM CC(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000261494330 384333099 /nfs/dbraw/zinc/33/30/99/384333099.db2.gz VCBXVTBCWASAOA-UHFFFAOYSA-N -1 0 238.243 1.829 50 5 BDBARM O=C([O-])c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051170624 384657541 /nfs/dbraw/zinc/65/75/41/384657541.db2.gz INJFFHQKNQTVIJ-UHFFFAOYSA-N -1 0 233.183 1.683 50 5 BDBARM COC(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000014985550 386030732 /nfs/dbraw/zinc/03/07/32/386030732.db2.gz MJSJVFTZSILELE-UHFFFAOYSA-N -1 0 225.156 1.080 50 5 BDBARM O=Cc1cc([N+](=O)[O-])ccc1SCC(=O)[O-] ZINC000016385767 387958411 /nfs/dbraw/zinc/95/84/11/387958411.db2.gz XJFXOVVNBRHSNX-UHFFFAOYSA-N -1 0 241.224 1.584 50 5 BDBARM O=C([O-])c1nn(-c2ccccc2)cc1[N+](=O)[O-] ZINC000090469386 388503795 /nfs/dbraw/zinc/50/37/95/388503795.db2.gz HZENRRKFQYHSJU-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM O=c1c2ccc(F)c(F)c2[n-]cc1[N+](=O)[O-] ZINC000390822136 388754754 /nfs/dbraw/zinc/75/47/54/388754754.db2.gz JZIVWOYVHCMPQN-UHFFFAOYSA-N -1 0 226.138 1.715 50 5 BDBARM O=C([O-])CCNc1ncc([N+](=O)[O-])cc1F ZINC000263519098 135357829 /nfs/dbraw/zinc/35/78/29/135357829.db2.gz QBPOQGAWONEUGC-UHFFFAOYSA-N -1 0 229.167 1.016 50 5 BDBARM C[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000020149766 175910537 /nfs/dbraw/zinc/91/05/37/175910537.db2.gz FELSXTCZSJSHHZ-ZCFIWIBFSA-N -1 0 242.256 1.665 50 5 BDBARM Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])c1N ZINC000004530132 178270301 /nfs/dbraw/zinc/27/03/01/178270301.db2.gz PIPCHWSOJRYSKP-UHFFFAOYSA-N -1 0 210.189 1.492 50 5 BDBARM Cc1cc([N+](=O)[O-])nn1CSCCC(=O)[O-] ZINC000012394735 178275311 /nfs/dbraw/zinc/27/53/11/178275311.db2.gz BBCCFQQKNWKMNP-UHFFFAOYSA-N -1 0 245.260 1.265 50 5 BDBARM COc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000000137205 342676570 /nfs/dbraw/zinc/67/65/70/342676570.db2.gz WJPMJFUEMVXUCV-UHFFFAOYSA-N -1 0 241.199 1.239 50 5 BDBARM O=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000032337 342670258 /nfs/dbraw/zinc/67/02/58/342670258.db2.gz DFXQXFGFOLXAPO-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM CCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000022214518 343928135 /nfs/dbraw/zinc/92/81/35/343928135.db2.gz VMMWCLBSFKXENH-UHFFFAOYSA-N -1 0 211.173 1.692 50 5 BDBARM Cc1ccn2cc(C(=O)[O-])nc2c1[N+](=O)[O-] ZINC000040447986 179414461 /nfs/dbraw/zinc/41/44/61/179414461.db2.gz YRHLCUBLOIXXQD-UHFFFAOYSA-N -1 0 221.172 1.249 50 5 BDBARM Cc1nn([C@H](C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000000809524 180393028 /nfs/dbraw/zinc/39/30/28/180393028.db2.gz CANKNXFHGALOMF-ZCFIWIBFSA-N -1 0 213.193 1.054 50 5 BDBARM Cc1nn(CSCC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000002537821 180389235 /nfs/dbraw/zinc/38/92/35/180389235.db2.gz JIBZDJWNVMUECW-UHFFFAOYSA-N -1 0 245.260 1.183 50 5 BDBARM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1Cl ZINC000005879685 351278812 /nfs/dbraw/zinc/27/88/12/351278812.db2.gz IEFZDLCDDSHPJS-UHFFFAOYSA-N -1 0 231.591 1.955 50 5 BDBARM O=[N+]([O-])c1cc(F)ccc1[S@@](=O)[O-] ZINC000125977128 538527250 /nfs/dbraw/zinc/52/72/50/538527250.db2.gz XLFGQUDZUKUOGG-UHFFFAOYSA-N -1 0 205.166 1.315 50 5 BDBARM COc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000001583337 356978485 /nfs/dbraw/zinc/97/84/85/356978485.db2.gz VBLDFIFEVZSYAR-UHFFFAOYSA-N -1 0 242.143 1.210 50 5 BDBARM Nc1c(C(=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC000026516838 357161383 /nfs/dbraw/zinc/16/13/83/357161383.db2.gz PJWWMVQRAZJKGT-UHFFFAOYSA-N -1 0 200.125 1.014 50 5 BDBARM COc1cc([N+](=O)[O-])ccc1[S@@](=O)[O-] ZINC000125983399 541468536 /nfs/dbraw/zinc/46/85/36/541468536.db2.gz MUDNZVBRPJSRBI-UHFFFAOYSA-N -1 0 217.202 1.184 50 5 BDBARM CCS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000002562578 371585015 /nfs/dbraw/zinc/58/50/15/371585015.db2.gz SGMLLKMQYTWRJX-UHFFFAOYSA-N -1 0 231.229 1.094 50 5 BDBARM O=C([O-])c1cc2cccnc2c([N+](=O)[O-])c1 ZINC000004228020 372174962 /nfs/dbraw/zinc/17/49/62/372174962.db2.gz IFLJJCFENDRBKS-UHFFFAOYSA-N -1 0 218.168 1.841 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000004404106 182558942 /nfs/dbraw/zinc/55/89/42/182558942.db2.gz YKMDNKRCCODWMG-UHFFFAOYSA-N -1 0 212.117 1.201 50 5 BDBARM O=c1ccc2[n+]([O-])c3ccc([O-])cc3oc-2c1 ZINC000003793896 183001314 /nfs/dbraw/zinc/00/13/14/183001314.db2.gz PLXBWHJQWKZRKG-UHFFFAOYSA-N -1 0 229.191 1.237 50 5 in-vitro BDBARM O=C([O-])c1ncc([N+](=O)[O-])cc1Cl ZINC000079058057 384482040 /nfs/dbraw/zinc/48/20/40/384482040.db2.gz BNPDDLSKUUEFAA-UHFFFAOYSA-N -1 0 202.553 1.341 50 5 BDBARM O=c1cc(C2CC2)[n-]n1-c1ccc([N+](=O)[O-])cn1 ZINC000521399812 384629013 /nfs/dbraw/zinc/62/90/13/384629013.db2.gz SUCDGRBIWXWDNE-UHFFFAOYSA-N -1 0 246.226 1.493 50 5 BDBARM COC(=O)c1cc([O-])c(Cl)c([N+](=O)[O-])c1 ZINC000197271311 385527215 /nfs/dbraw/zinc/52/72/15/385527215.db2.gz UISBPFIZGNICMM-UHFFFAOYSA-N -1 0 231.591 1.740 50 5 BDBARM O=C([O-])c1n[nH]c2cc([N+](=O)[O-])ccc21 ZINC000014984588 386032824 /nfs/dbraw/zinc/03/28/24/386032824.db2.gz AZQFFHKDZNETBK-UHFFFAOYSA-N -1 0 207.145 1.169 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])c(Br)n1 ZINC000088613823 387505149 /nfs/dbraw/zinc/50/51/49/387505149.db2.gz RWDVNWYGZAUUDG-UHFFFAOYSA-N -1 0 247.004 1.451 50 5 BDBARM O=c1[n-]c(Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000170616208 388257766 /nfs/dbraw/zinc/25/77/66/388257766.db2.gz JBDSZPDNDNCLOF-UHFFFAOYSA-N -1 0 238.228 1.570 50 5 BDBARM COc1c(F)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000035333642 174931504 /nfs/dbraw/zinc/93/15/04/174931504.db2.gz FZVATVOZGBMDRQ-UHFFFAOYSA-N -1 0 215.136 1.441 50 5 BDBARM COc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000005960172 175047970 /nfs/dbraw/zinc/04/79/70/175047970.db2.gz ZTPILCFVGFXZOA-HYXAFXHYSA-N -1 0 223.184 1.701 50 5 BDBARM O=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000001693283 342709485 /nfs/dbraw/zinc/70/94/85/342709485.db2.gz YLQAJBKACBLUCM-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM O=C(NC1CC=CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097374914 342791232 /nfs/dbraw/zinc/79/12/32/342791232.db2.gz MGHHYWURADNEFW-UHFFFAOYSA-N -1 0 248.238 1.749 50 5 BDBARM CC(=O)Nc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000004256816 187247039 /nfs/dbraw/zinc/24/70/39/187247039.db2.gz FOXLFUZFWTYAME-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001764711 187245118 /nfs/dbraw/zinc/24/51/18/187245118.db2.gz ZIIGSRYPZWDGBT-UHFFFAOYSA-N -1 0 212.117 1.201 50 5 BDBARM O=C([O-])c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000039018664 187262704 /nfs/dbraw/zinc/26/27/04/187262704.db2.gz GSEMJEXTHJEELQ-UHFFFAOYSA-N -1 0 207.145 1.169 50 5 BDBARM O=C([O-])c1c([N+](=O)[O-])ccc2c1OCCO2 ZINC000039233555 187263308 /nfs/dbraw/zinc/26/33/08/187263308.db2.gz SXCQEJNBRGOPDI-UHFFFAOYSA-N -1 0 225.156 1.064 50 5 BDBARM O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)on1 ZINC000013776362 343657373 /nfs/dbraw/zinc/65/73/73/343657373.db2.gz UADDGBIOHFWIDV-UHFFFAOYSA-N -1 0 234.167 1.948 50 5 BDBARM O=C([O-])c1cnn(-c2ccccc2[N+](=O)[O-])c1 ZINC000012395466 344515286 /nfs/dbraw/zinc/51/52/86/344515286.db2.gz MQAJHIZBDRTTFA-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM O=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000012395464 344515426 /nfs/dbraw/zinc/51/54/26/344515426.db2.gz GFVFGZWAGKOYMQ-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM Cc1nc2ccc([N+](=O)[O-])cn2c1C(=O)[O-] ZINC000019953108 180100406 /nfs/dbraw/zinc/10/04/06/180100406.db2.gz WQIZDHFHJFLOOY-UHFFFAOYSA-N -1 0 221.172 1.249 50 5 BDBARM Cc1nn(C[C@H](C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000002534232 180390291 /nfs/dbraw/zinc/39/02/91/180390291.db2.gz DFANDWKEUBXWKL-YFKPBYRVSA-N -1 0 227.220 1.129 50 5 BDBARM O=C([O-])c1cc(F)c(F)c([N+](=O)[O-])c1F ZINC000016158127 356816290 /nfs/dbraw/zinc/81/62/90/356816290.db2.gz ZFJAWLRXFKLNKV-UHFFFAOYSA-N -1 0 221.090 1.710 50 5 BDBARM CC(=O)Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000001736289 357443578 /nfs/dbraw/zinc/44/35/78/357443578.db2.gz DQKOLPCSICJNQJ-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 biogenic BDBARM CCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000036225933 360741268 /nfs/dbraw/zinc/74/12/68/360741268.db2.gz ZWPRGHWABASJLH-UHFFFAOYSA-N -1 0 211.173 1.692 50 5 BDBARM O=C([O-])CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000236430849 182448026 /nfs/dbraw/zinc/44/80/26/182448026.db2.gz PEYGEUHVJJETIC-UHFFFAOYSA-N -1 0 245.622 1.530 50 5 BDBARM COC(=O)c1cc([N+](=O)[O-])c([O-])cc1Cl ZINC000097757081 384276367 /nfs/dbraw/zinc/27/63/67/384276367.db2.gz WPAOCIDALGLUFF-UHFFFAOYSA-N -1 0 231.591 1.740 50 5 BDBARM CC(=O)c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000005046500 384405990 /nfs/dbraw/zinc/40/59/90/384405990.db2.gz FZUDMWLMAWINRV-UHFFFAOYSA-N -1 0 226.144 1.411 50 5 BDBARM O=C([N-]c1nncs1)c1ccc([N+](=O)[O-])o1 ZINC000016972378 384475480 /nfs/dbraw/zinc/47/54/80/384475480.db2.gz QCBJGANOPFMEKA-UHFFFAOYSA-N -1 0 240.200 1.292 50 5 BDBARM O=C([O-])C(=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000001686235 387368181 /nfs/dbraw/zinc/36/81/81/387368181.db2.gz ZHHGJIKNTVWZTL-UHFFFAOYSA-N -1 0 243.602 1.444 50 5 BDBARM CC(=O)c1ccc(NCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000064037958 387784615 /nfs/dbraw/zinc/78/46/15/387784615.db2.gz KRXLTFNZRIFBMV-UHFFFAOYSA-N -1 0 238.199 1.294 50 5 BDBARM CCNc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000003880455 170171628 /nfs/dbraw/zinc/17/16/28/170171628.db2.gz CHNQJEHMJWYBAM-UHFFFAOYSA-N -1 0 210.189 1.725 50 5 BDBARM COc1cc(C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000059232378 174949828 /nfs/dbraw/zinc/94/98/28/174949828.db2.gz ZGKYHGDVUJUNOW-UHFFFAOYSA-N -1 0 211.173 1.610 50 5 BDBARM C[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000000080930 176010193 /nfs/dbraw/zinc/01/01/93/176010193.db2.gz MUDNTVKNHDLQJN-RXMQYKEDSA-N -1 0 228.229 1.555 50 5 BDBARM O=C([O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000032208269 398328861 /nfs/dbraw/zinc/32/88/61/398328861.db2.gz ISSGDBWGQCOTNA-UHFFFAOYSA-N -1 0 215.592 1.875 50 5 BDBARM O=C([O-])c1cc(=O)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000000039961 344016091 /nfs/dbraw/zinc/01/60/91/344016091.db2.gz KQFRZQHCZNAUOS-UHFFFAOYSA-N -1 0 234.167 1.135 50 5 BDBARM O=C([O-])c1nn(CC(F)(F)F)cc1[N+](=O)[O-] ZINC000012357566 344505379 /nfs/dbraw/zinc/50/53/79/344505379.db2.gz JYIYGHMDRUPKPM-UHFFFAOYSA-N -1 0 239.109 1.052 50 5 BDBARM O=[N+]([O-])c1cc(CN2CCOCC2)ccc1[O-] ZINC000004986093 344882735 /nfs/dbraw/zinc/88/27/35/344882735.db2.gz PSSNASKHKQDHFP-UHFFFAOYSA-N -1 0 238.243 1.133 50 5 BDBARM Cc1cccc([N-]c2ncnc(N)c2[N+](=O)[O-])n1 ZINC000004059590 179161081 /nfs/dbraw/zinc/16/10/81/179161081.db2.gz ICRKHNZBRJUJBU-UHFFFAOYSA-N -1 0 246.230 1.414 50 5 BDBARM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000003887939 351425745 /nfs/dbraw/zinc/42/57/45/351425745.db2.gz DOWIJKGYCPKWNC-UHFFFAOYSA-N -1 0 210.189 1.359 50 5 BDBARM Cn1c(C(=O)[O-])cc2cc([N+](=O)[O-])ccc21 ZINC000036379639 180614871 /nfs/dbraw/zinc/61/48/71/180614871.db2.gz IRQPCRXWJLFPLG-UHFFFAOYSA-N -1 0 220.184 1.785 50 5 BDBARM O=c1[n-]cc(F)c(Br)c1[N+](=O)[O-] ZINC000015684422 188105942 /nfs/dbraw/zinc/10/59/42/188105942.db2.gz QJZOJKOUBPFZFQ-UHFFFAOYSA-N -1 0 236.984 1.597 50 5 BDBARM O=C([O-])c1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000047212301 188124251 /nfs/dbraw/zinc/12/42/51/188124251.db2.gz VFMOFYUJXZZVGL-UHFFFAOYSA-N -1 0 236.105 1.707 50 5 BDBARM COc1cc(C(C)=O)cc([N+](=O)[O-])c1[O-] ZINC000001635818 357036492 /nfs/dbraw/zinc/03/64/92/357036492.db2.gz PGKVPHVPNDBJTO-UHFFFAOYSA-N -1 0 211.173 1.512 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001648205 357046400 /nfs/dbraw/zinc/04/64/00/357046400.db2.gz VYWYYJYRVSBHJQ-UHFFFAOYSA-N -1 0 212.117 1.201 50 5 in-vitro BDBARM COc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000035333699 357186977 /nfs/dbraw/zinc/18/69/77/357186977.db2.gz BNPVOSZKWOIXHK-UHFFFAOYSA-N -1 0 231.591 1.955 50 5 BDBARM O=C([O-])/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004952139 182414230 /nfs/dbraw/zinc/41/42/30/182414230.db2.gz AZVWYXUTXSTOQY-WAYWQWQTSA-N -1 0 236.183 1.174 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])ncc1Br ZINC000091297562 384114383 /nfs/dbraw/zinc/11/43/83/384114383.db2.gz MPPXDSQZQIBCRT-UHFFFAOYSA-N -1 0 247.004 1.451 50 5 BDBARM Cc1cc(C(=O)[O-])nn1-c1ccccc1[N+](=O)[O-] ZINC000047957490 384470281 /nfs/dbraw/zinc/47/02/81/384470281.db2.gz IJGCWRFYKHNFBW-UHFFFAOYSA-N -1 0 247.210 1.787 50 5 BDBARM O=c1c([N+](=O)[O-])c([O-])c2cccc3c2n1CCC3 ZINC000100294361 384630071 /nfs/dbraw/zinc/63/00/71/384630071.db2.gz QLMBHOQBBXZBQL-UHFFFAOYSA-N -1 0 246.222 1.562 50 5 BDBARM O=Cc1ccc([N+](=O)[O-])c(Cl)c1C(=O)[O-] ZINC000536954895 384804709 /nfs/dbraw/zinc/80/47/09/384804709.db2.gz RBSWLICQKXDMOR-UHFFFAOYSA-N -1 0 229.575 1.759 50 5 BDBARM O=C([O-])Cc1cc(F)cc([N+](=O)[O-])c1F ZINC000263624068 385008852 /nfs/dbraw/zinc/00/88/52/385008852.db2.gz NCXCCGDMAKVMMT-UHFFFAOYSA-N -1 0 217.127 1.500 50 5 BDBARM Cc1c2c(cc([N+](=O)[O-])c1C(=O)[O-])OCO2 ZINC000095836497 385593604 /nfs/dbraw/zinc/59/36/04/385593604.db2.gz IGWOTAUBCLTFJY-UHFFFAOYSA-N -1 0 225.156 1.330 50 5 BDBARM O=C([O-])CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000004105165 386117702 /nfs/dbraw/zinc/11/77/02/386117702.db2.gz LKDSFMWYBXKOJJ-UHFFFAOYSA-N -1 0 231.595 1.140 50 5 BDBARM O=C([O-])COc1cc(F)ccc1[N+](=O)[O-] ZINC000001732244 387269957 /nfs/dbraw/zinc/26/99/57/387269957.db2.gz OHDQHPUGOMHBGZ-UHFFFAOYSA-N -1 0 215.136 1.197 50 5 BDBARM O=C([O-])c1cc(-c2ccccc2[N+](=O)[O-])on1 ZINC000089064131 387362015 /nfs/dbraw/zinc/36/20/15/387362015.db2.gz MMLOMUSIMLNSCH-UHFFFAOYSA-N -1 0 234.167 1.948 50 5 BDBARM O=C([O-])c1[nH]c2ccccc2c1[N+](=O)[O-] ZINC000037632679 388471474 /nfs/dbraw/zinc/47/14/74/388471474.db2.gz OUDKEPMYUAFKLL-UHFFFAOYSA-N -1 0 206.157 1.774 50 5 BDBARM O=C([O-])COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000037489493 398128990 /nfs/dbraw/zinc/12/89/90/398128990.db2.gz QYEJMQBTJAWJIM-UHFFFAOYSA-N -1 0 248.194 1.606 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])c2cccnc12 ZINC000026443317 487858341 /nfs/dbraw/zinc/85/83/41/487858341.db2.gz HXHZCOASPJWXPP-UHFFFAOYSA-N -1 0 218.168 1.841 50 5 BDBARM COc1cc(C(=O)[O-])cc([N+](=O)[O-])c1OC ZINC000006667014 398223986 /nfs/dbraw/zinc/22/39/86/398223986.db2.gz GQNSKXYALDGGGN-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM CC[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000006048939 342773067 /nfs/dbraw/zinc/77/30/67/342773067.db2.gz BZJNECLYYSXWTC-QMMMGPOBSA-N -1 0 225.200 1.837 50 5 BDBARM O=C([O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000000156165 344569316 /nfs/dbraw/zinc/56/93/16/344569316.db2.gz BIUCOFQROHIAEO-UHFFFAOYSA-N -1 0 206.157 1.774 50 5 in-vitro BDBARM CCOc1ccc([N+](=O)[O-])cc1CC(=O)[O-] ZINC000003750871 350906802 /nfs/dbraw/zinc/90/68/02/350906802.db2.gz RWCLZHCZCNDTTA-UHFFFAOYSA-N -1 0 225.200 1.621 50 5 BDBARM O=[N+]([O-])c1cc(Cl)cc2c([O-])coc21 ZINC000307014865 351422722 /nfs/dbraw/zinc/42/27/22/351422722.db2.gz SUHSFHXGJDLERE-UHFFFAOYSA-N -1 0 213.576 1.823 50 5 BDBARM Cc1c(Br)c[nH]c(=O)c1[N+](=O)[O-] ZINC000012471384 188105118 /nfs/dbraw/zinc/10/51/18/188105118.db2.gz QXPNHVCGSASGIX-UHFFFAOYSA-N -1 0 233.021 1.354 50 5 BDBARM N=C1O[C@@H](c2cccc([N+](=O)[O-])c2)C([O-])=C1O ZINC000261491607 181207997 /nfs/dbraw/zinc/20/79/97/181207997.db2.gz BCAJQNFIKJKYTI-VIFPVBQESA-N -1 0 236.183 1.971 50 5 BDBARM O=[N+]([O-])c1ccc(Cl)cc1[S@](=O)[O-] ZINC000675059219 538483900 /nfs/dbraw/zinc/48/39/00/538483900.db2.gz DNLHKDKRXUXKRG-UHFFFAOYSA-N -1 0 221.621 1.829 50 5 BDBARM O=C([O-])c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000026438522 357106642 /nfs/dbraw/zinc/10/66/42/357106642.db2.gz CFOGTLCSNDGABE-UHFFFAOYSA-N -1 0 218.168 1.841 50 5 BDBARM O=C([O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000001689649 357134422 /nfs/dbraw/zinc/13/44/22/357134422.db2.gz XQJWBDDLVCMLAB-UHFFFAOYSA-N -1 0 211.129 1.022 50 5 BDBARM O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1[O-] ZINC000001706150 357165107 /nfs/dbraw/zinc/16/51/07/357165107.db2.gz MDOWEUXXLVBZIU-UHFFFAOYSA-N -1 0 202.097 1.348 50 5 BDBARM O=C([O-])c1cnn(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000037504540 364095874 /nfs/dbraw/zinc/09/58/74/364095874.db2.gz NUNOCMANFOFTHD-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000003634411 384020688 /nfs/dbraw/zinc/02/06/88/384020688.db2.gz IBTMBLNQUGWDNZ-UHFFFAOYSA-N -1 0 237.171 1.131 50 5 BDBARM Cc1nn(C(C)C)c(C(=O)[O-])c1[N+](=O)[O-] ZINC000071773655 384676860 /nfs/dbraw/zinc/67/68/60/384676860.db2.gz YVBCNEUOWAZENK-UHFFFAOYSA-N -1 0 213.193 1.379 50 5 BDBARM O=C([O-])c1n[nH]c(C(F)(F)F)c1[N+](=O)[O-] ZINC000044154481 384961001 /nfs/dbraw/zinc/96/10/01/384961001.db2.gz PSUXBAOGDOGJBK-UHFFFAOYSA-N -1 0 225.082 1.035 50 5 BDBARM Nc1cc([O-])c(Br)cc1[N+](=O)[O-] ZINC000065336837 385065666 /nfs/dbraw/zinc/06/56/66/385065666.db2.gz IZFUAQAHNPUZGL-UHFFFAOYSA-N -1 0 233.021 1.645 50 5 BDBARM CO[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540919 387278604 /nfs/dbraw/zinc/27/86/04/387278604.db2.gz NOWYLHKMLFFHLR-ZCFIWIBFSA-N -1 0 240.215 1.274 50 5 BDBARM O=C([O-])CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016697717 388354131 /nfs/dbraw/zinc/35/41/31/388354131.db2.gz KYBGWGFVJJRIMR-UHFFFAOYSA-N -1 0 240.171 1.520 50 5 BDBARM O=C([O-])/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000039947623 388410869 /nfs/dbraw/zinc/41/08/69/388410869.db2.gz RVXINQZTGUTIDC-DUXPYHPUSA-N -1 0 211.148 1.832 50 5 BDBARM Cc1c(C)c([N+](=O)[O-])cc(C(=O)[O-])c1O ZINC000057339453 177635602 /nfs/dbraw/zinc/63/56/02/177635602.db2.gz BLNIDZCASLLVTR-UHFFFAOYSA-N -1 0 211.173 1.615 50 5 BDBARM Cc1c(C(=O)[O-])cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000003161262 177572657 /nfs/dbraw/zinc/57/26/57/177572657.db2.gz SEVVEGUMNVXGLA-UHFFFAOYSA-N -1 0 247.210 1.787 50 5 BDBARM O=C([O-])c1cccn2c(=O)c3ccccc3nc12 ZINC000000801649 342693078 /nfs/dbraw/zinc/69/30/78/342693078.db2.gz ILCIRAGSNQDBPD-UHFFFAOYSA-N -1 0 240.218 1.546 50 5 BDBARM O=C([O-])c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000585139472 344151913 /nfs/dbraw/zinc/15/19/13/344151913.db2.gz NZAPSVWWFLQQBM-UHFFFAOYSA-N -1 0 239.183 1.454 50 5 BDBARM O=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000012395460 344515432 /nfs/dbraw/zinc/51/54/32/344515432.db2.gz SHDKECMZGJJFQA-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM O=C([O-])C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000725262153 538088045 /nfs/dbraw/zinc/08/80/45/538088045.db2.gz YWOHAHJWZCWQLG-UHFFFAOYSA-N -1 0 213.120 1.001 50 5 BDBARM CC(=O)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003833955 188101679 /nfs/dbraw/zinc/10/16/79/188101679.db2.gz BRQIMWBIZLRLSV-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 BDBARM CC(=O)Cc1c(F)c([O-])ccc1[N+](=O)[O-] ZINC000031777100 188110716 /nfs/dbraw/zinc/11/07/16/188110716.db2.gz IPRZVDNMKMONNN-UHFFFAOYSA-N -1 0 213.164 1.571 50 5 BDBARM O=[N+]([O-])c1nc(Br)ccc1[O-] ZINC000040448152 188118364 /nfs/dbraw/zinc/11/83/64/188118364.db2.gz GSGNTVQLHGOEMB-UHFFFAOYSA-N -1 0 218.994 1.458 50 5 BDBARM O=C(NCCCF)c1cc([N+](=O)[O-])ccc1[O-] ZINC000097052696 182167837 /nfs/dbraw/zinc/16/78/37/182167837.db2.gz WEYGMRQKNHTOBT-UHFFFAOYSA-N -1 0 242.206 1.390 50 5 BDBARM O=C([O-])[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000004037105 182512454 /nfs/dbraw/zinc/51/24/54/182512454.db2.gz RQFITJCVQDONTL-QMMMGPOBSA-N -1 0 237.215 1.043 50 5 BDBARM O=Cc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000000056983 384446283 /nfs/dbraw/zinc/44/62/83/384446283.db2.gz YEYPSUQQZNDKDE-UHFFFAOYSA-N -1 0 246.016 1.875 50 5 BDBARM CCOc1cc([N+](=O)[O-])cc(C=O)c1[O-] ZINC000049997101 384581935 /nfs/dbraw/zinc/58/19/35/384581935.db2.gz NGSRGRKMEWROLO-UHFFFAOYSA-N -1 0 211.173 1.512 50 5 BDBARM CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000011638371 384610431 /nfs/dbraw/zinc/61/04/31/384610431.db2.gz YZHZLSGEPAVSHT-UHFFFAOYSA-N -1 0 224.216 1.895 50 5 BDBARM Cc1ccc([N+](=O)[O-])c(C)c1NS(C)(=O)=O ZINC000130300047 387097504 /nfs/dbraw/zinc/09/75/04/387097504.db2.gz BMVIPXNGYIBBGW-UHFFFAOYSA-N -1 0 244.272 1.583 50 5 BDBARM O=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000012504564 388720712 /nfs/dbraw/zinc/72/07/12/388720712.db2.gz YSDCZOBSHGDCCI-UHFFFAOYSA-N -1 0 201.565 1.766 50 5 BDBARM Cc1c([N+](=O)[O-])c(C(F)F)nn1CC(=O)[O-] ZINC000001304699 177635523 /nfs/dbraw/zinc/63/55/23/177635523.db2.gz DDUHAPRAGZZKCT-UHFFFAOYSA-N -1 0 235.146 1.122 50 5 BDBARM C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006249493 177023151 /nfs/dbraw/zinc/02/31/51/177023151.db2.gz OYYFEDUOOFSUGM-LURJTMIESA-N -1 0 211.173 1.447 50 5 BDBARM O=[N+]([O-])c1cc([O-])c(Cl)c([N+](=O)[O-])c1 ZINC000032622829 342857211 /nfs/dbraw/zinc/85/72/11/342857211.db2.gz QBSCFQUZRNTSSJ-UHFFFAOYSA-N -1 0 218.552 1.862 50 5 BDBARM O=C([O-])c1cnc(-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000008731038 344840629 /nfs/dbraw/zinc/84/06/29/344840629.db2.gz SOSUQOPJFAIMGT-UHFFFAOYSA-N -1 0 245.194 1.750 50 5 BDBARM Cn1cc(C(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000037311580 180635215 /nfs/dbraw/zinc/63/52/15/180635215.db2.gz PYFSARQBYCNVFX-UHFFFAOYSA-N -1 0 247.210 1.694 50 5 BDBARM O=[N+]([O-])c1cc([S@](=O)[O-])ccc1Cl ZINC000025665582 353037693 /nfs/dbraw/zinc/03/76/93/353037693.db2.gz RZTFYZSXSDRAIB-UHFFFAOYSA-N -1 0 221.621 1.829 50 5 BDBARM O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])o2)S1 ZINC000002891594 188180050 /nfs/dbraw/zinc/18/00/50/188180050.db2.gz OECWHWZPBDGSCP-HWKANZROSA-N -1 0 240.196 1.512 50 5 BDBARM O=C([O-])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000001689765 357134070 /nfs/dbraw/zinc/13/40/70/357134070.db2.gz ZKUYSJHXBFFGPU-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM O=C([O-])c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000001692074 357154396 /nfs/dbraw/zinc/15/43/96/357154396.db2.gz OOOJXNVTVWRZMA-UHFFFAOYSA-N -1 0 206.157 1.774 50 5 BDBARM O=C([O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000004205455 182558595 /nfs/dbraw/zinc/55/85/95/182558595.db2.gz QBFGQHROZQJASA-UHFFFAOYSA-N -1 0 225.156 1.064 50 5 BDBARM O=C([O-])c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000006321754 182588161 /nfs/dbraw/zinc/58/81/61/182588161.db2.gz QYALMFITBBBPSM-UHFFFAOYSA-N -1 0 245.194 1.750 50 5 BDBARM O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000005813787 182924266 /nfs/dbraw/zinc/92/42/66/182924266.db2.gz YPEUTQKEMPFPKO-UHFFFAOYSA-N -1 0 235.155 1.757 50 5 BDBARM O=C([O-])CCc1cc(F)ccc1[N+](=O)[O-] ZINC000035688520 384094597 /nfs/dbraw/zinc/09/45/97/384094597.db2.gz GLEBYEUPLNOEDZ-UHFFFAOYSA-N -1 0 213.164 1.751 50 5 BDBARM O=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000004526031 384387199 /nfs/dbraw/zinc/38/71/99/384387199.db2.gz QBGJRIICMHIJJR-UHFFFAOYSA-N -1 0 246.016 1.875 50 5 BDBARM O=C([O-])C(=S)Cc1ccccc1[N+](=O)[O-] ZINC000100440756 384641455 /nfs/dbraw/zinc/64/14/55/384641455.db2.gz FPWYECZNLFRQEO-YVMONPNESA-N -1 0 225.225 1.950 50 5 BDBARM O=C([O-])CCCNc1ncccc1[N+](=O)[O-] ZINC000003884351 385835747 /nfs/dbraw/zinc/83/57/47/385835747.db2.gz WTHQDFIWIPIGLI-UHFFFAOYSA-N -1 0 225.204 1.267 50 5 BDBARM O=C([O-])CCCNc1ccc([N+](=O)[O-])cc1 ZINC000003888851 385844077 /nfs/dbraw/zinc/84/40/77/385844077.db2.gz BTWRFZZFMXEFQG-UHFFFAOYSA-N -1 0 224.216 1.872 50 5 BDBARM O=C([O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004202340 388394404 /nfs/dbraw/zinc/39/44/04/388394404.db2.gz WUXCECMNMNJYSC-UHFFFAOYSA-N -1 0 215.592 1.875 50 5 BDBARM COc1ccc([N+](=O)[O-])c(C[C@H](C)C(=O)[O-])n1 ZINC000040447925 388415732 /nfs/dbraw/zinc/41/57/32/388415732.db2.gz KDNGKYRXJNLXCR-LURJTMIESA-N -1 0 240.215 1.262 50 5 BDBARM CCOc1cc(CO)cc([N+](=O)[O-])c1[O-] ZINC000034772843 170523008 /nfs/dbraw/zinc/52/30/08/170523008.db2.gz ZOQLUAXOMCJMKI-UHFFFAOYSA-N -1 0 213.189 1.191 50 5 BDBARM C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000000371756 177024574 /nfs/dbraw/zinc/02/45/74/177024574.db2.gz MALMTWYTOBLCBT-LURJTMIESA-N -1 0 211.173 1.447 50 5 BDBARM O=[N+]([O-])c1ccc([O-])c(-c2cc[nH]n2)c1 ZINC000004522016 342879109 /nfs/dbraw/zinc/87/91/09/342879109.db2.gz NPTPVROZEGBZIS-UHFFFAOYSA-N -1 0 205.173 1.691 50 5 BDBARM O=C([O-])c1c([N+](=O)[O-])cnn1Cc1ccccc1 ZINC000096675765 343875221 /nfs/dbraw/zinc/87/52/21/343875221.db2.gz DWTPEZAMTWWCPX-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM O=c1nc(-c2ccc([N+](=O)[O-])cc2)[n-]o1 ZINC000034128349 346200995 /nfs/dbraw/zinc/20/09/95/346200995.db2.gz PEVIRNTUXQYRDH-UHFFFAOYSA-N -1 0 207.145 1.350 50 5 BDBARM CC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006048925 355464015 /nfs/dbraw/zinc/46/40/15/355464015.db2.gz YPBRRZJQNAFLIJ-VIFPVBQESA-N -1 0 225.200 1.837 50 5 BDBARM CCOc1cc([N+](=O)[O-])c(C(=O)[O-])cc1OC ZINC000004218218 372171416 /nfs/dbraw/zinc/17/14/16/372171416.db2.gz GPTFBBVXZVBLEN-UHFFFAOYSA-N -1 0 241.199 1.700 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cnc1Cl ZINC000008698230 372848594 /nfs/dbraw/zinc/84/85/94/372848594.db2.gz WOFZRBCITDVRON-UHFFFAOYSA-N -1 0 202.553 1.341 50 5 BDBARM O=C([O-])c1ccnc(Cl)c1[N+](=O)[O-] ZINC000004473036 182585071 /nfs/dbraw/zinc/58/50/71/182585071.db2.gz ADPCJMUNRPBSCO-UHFFFAOYSA-N -1 0 202.553 1.341 50 5 BDBARM CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cn2)[n-]1 ZINC000521399796 384628380 /nfs/dbraw/zinc/62/83/80/384628380.db2.gz SCKXDWTUNLJGQJ-UHFFFAOYSA-N -1 0 234.215 1.493 50 5 BDBARM O=C([O-])CCc1onc(Cl)c1[N+](=O)[O-] ZINC000014608628 385142386 /nfs/dbraw/zinc/14/23/86/385142386.db2.gz XIUOTKIGDTVRCX-UHFFFAOYSA-N -1 0 220.568 1.253 50 5 BDBARM O=C([O-])Cn1ccc2ccc([N+](=O)[O-])cc21 ZINC000037116127 388129450 /nfs/dbraw/zinc/12/94/50/388129450.db2.gz ZFDXOVFFEWMOBY-UHFFFAOYSA-N -1 0 220.184 1.634 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000002382624 388671124 /nfs/dbraw/zinc/67/11/24/388671124.db2.gz TZPGGFYKIOBMCN-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM O=C([O-])CCc1ccc(F)c([N+](=O)[O-])c1 ZINC000034452360 397739519 /nfs/dbraw/zinc/73/95/19/397739519.db2.gz IHRNYARREWSFGQ-UHFFFAOYSA-N -1 0 213.164 1.751 50 5 BDBARM CN(C)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003887890 172551120 /nfs/dbraw/zinc/55/11/20/172551120.db2.gz ZXBMWJZLUDXEPS-UHFFFAOYSA-N -1 0 210.189 1.359 50 5 BDBARM COc1cc(C(=O)[O-])cc([N+](=O)[O-])c1O ZINC000037011453 174949400 /nfs/dbraw/zinc/94/94/00/174949400.db2.gz AEDVAGWYAKIOIM-UHFFFAOYSA-N -1 0 213.145 1.007 50 5 in-vitro BDBARM Cc1cc(N(C)CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC000063110910 178097599 /nfs/dbraw/zinc/09/75/99/178097599.db2.gz ASQGVVDRJGPXDU-UHFFFAOYSA-N -1 0 242.206 1.563 50 5 BDBARM Cc1cc([N+](=O)[O-])c([O-])c(N)c1[N+](=O)[O-] ZINC000085343019 178270049 /nfs/dbraw/zinc/27/00/49/178270049.db2.gz UCAWFSTVJPYKHE-UHFFFAOYSA-N -1 0 213.149 1.099 50 5 BDBARM Cc1ccc([S@](=O)[O-])cc1[N+](=O)[O-] ZINC000033482333 344780278 /nfs/dbraw/zinc/78/02/78/344780278.db2.gz AAGZANANHYIIJF-UHFFFAOYSA-N -1 0 201.203 1.484 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000004966284 344865763 /nfs/dbraw/zinc/86/57/63/344865763.db2.gz QULOTZXMYXDVCK-UHFFFAOYSA-N -1 0 233.126 1.894 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])c(Cl)n1 ZINC000000987781 187409198 /nfs/dbraw/zinc/40/91/98/187409198.db2.gz WMPMXUCWDZXMEW-UHFFFAOYSA-N -1 0 202.553 1.341 50 5 BDBARM O=C([O-])c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000004244822 354651341 /nfs/dbraw/zinc/65/13/41/354651341.db2.gz YTCUAJQXEKPQMF-UHFFFAOYSA-N -1 0 233.183 1.683 50 5 BDBARM O=c1cc([O-])c2c(=O)oc3ccccc3c2o1 ZINC000002897678 359643143 /nfs/dbraw/zinc/64/31/43/359643143.db2.gz SEUYEPDUKPAJOJ-UHFFFAOYSA-N -1 0 230.175 1.605 50 5 biogenic BDBARM O=C([O-])c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000002569918 371585676 /nfs/dbraw/zinc/58/56/76/371585676.db2.gz HGGRAOYTQNFGGN-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM CC[C@@H](C(=O)[O-])n1nc([N+](=O)[O-])cc1C ZINC000002732024 371642032 /nfs/dbraw/zinc/64/20/32/371642032.db2.gz PLDJFKIGCVPYLK-LURJTMIESA-N -1 0 213.193 1.135 50 5 BDBARM Nc1cc(C(=O)[O-])c([N+](=O)[O-])cc1Cl ZINC000059366665 372173145 /nfs/dbraw/zinc/17/31/45/372173145.db2.gz OLWAMVNZYHLIMZ-UHFFFAOYSA-N -1 0 216.580 1.529 50 5 BDBARM COc1c(C(=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC000038867369 372795187 /nfs/dbraw/zinc/79/51/87/372795187.db2.gz VWXGKPAQTSMYTG-UHFFFAOYSA-N -1 0 215.136 1.441 50 5 BDBARM O=C([O-])/C=C/c1cc([N+](=O)[O-])c(F)cc1F ZINC000263623725 182412022 /nfs/dbraw/zinc/41/20/22/182412022.db2.gz KDAPVYGPMBWFCD-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM O=C([O-])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004662566 182433370 /nfs/dbraw/zinc/43/33/70/182433370.db2.gz NHNBCVAABWTEBE-UHFFFAOYSA-N -1 0 238.199 1.398 50 5 BDBARM O=C([O-])CCc1ccc([N+](=O)[O-])c(F)c1 ZINC000034543976 182453846 /nfs/dbraw/zinc/45/38/46/182453846.db2.gz XQDGEYKAIQZAAA-UHFFFAOYSA-N -1 0 213.164 1.751 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cc(Br)n1 ZINC000071261633 182558471 /nfs/dbraw/zinc/55/84/71/182558471.db2.gz YQBRMUXRAFVSPK-UHFFFAOYSA-N -1 0 247.004 1.451 50 5 BDBARM O=C([O-])Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000036925252 383919872 /nfs/dbraw/zinc/91/98/72/383919872.db2.gz DEZZRGNPRLQDCF-UHFFFAOYSA-N -1 0 220.184 1.634 50 5 BDBARM O=C([O-])CCCOc1ccc([N+](=O)[O-])cc1 ZINC000002812253 388350625 /nfs/dbraw/zinc/35/06/25/388350625.db2.gz SZZXOFHUMXKGCV-UHFFFAOYSA-N -1 0 225.200 1.838 50 5 BDBARM CCOC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000035877357 170299121 /nfs/dbraw/zinc/29/91/21/170299121.db2.gz JWXWRQIFDGAONZ-UHFFFAOYSA-N -1 0 211.173 1.477 50 5 BDBARM CCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000091301479 170299501 /nfs/dbraw/zinc/29/95/01/170299501.db2.gz SZAOZGFHEAVFMM-UHFFFAOYSA-N -1 0 239.183 1.470 50 5 BDBARM COc1ccc([N+](=O)[O-])cc1CCC(=O)[O-] ZINC000001678789 175201108 /nfs/dbraw/zinc/20/11/08/175201108.db2.gz OBOQOWSWYNLBFP-UHFFFAOYSA-N -1 0 225.200 1.621 50 5 BDBARM Cc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1[N+](=O)[O-] ZINC000076819097 178318513 /nfs/dbraw/zinc/31/85/13/178318513.db2.gz GXIHNVGFUPZGDP-UHFFFAOYSA-N -1 0 247.210 1.992 50 5 BDBARM O=[N+]([O-])c1ccc(C2N=NC(=S)O2)o1 ZINC000001043492 342696229 /nfs/dbraw/zinc/69/62/29/342696229.db2.gz HATDUDSSJHXUEV-UHFFFAOYSA-N -1 0 213.174 1.527 50 5 BDBARM O=C([O-])c1cc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000002582708 342725836 /nfs/dbraw/zinc/72/58/36/342725836.db2.gz JIXJNWVLWQQNDB-UHFFFAOYSA-N -1 0 206.157 1.774 50 5 BDBARM O=C([O-])c1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000002536940 342779283 /nfs/dbraw/zinc/77/92/83/342779283.db2.gz VZAQMWCFGKUZAB-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM C[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000000345372 344709273 /nfs/dbraw/zinc/70/92/73/344709273.db2.gz PRMRZXDCDPVYAZ-ZETCQYMHSA-N -1 0 237.211 1.888 50 5 BDBARM O=C([O-])c1cnc2cc([N+](=O)[O-])ccc2c1O ZINC000005606478 346278446 /nfs/dbraw/zinc/27/84/46/346278446.db2.gz HGHKRTOZDXYURD-UHFFFAOYSA-N -1 0 234.167 1.547 50 5 BDBARM O=c1c2cc(F)ccc2[n-]cc1[N+](=O)[O-] ZINC000016697960 362907979 /nfs/dbraw/zinc/90/79/79/362907979.db2.gz TURQNAASNNGCEW-UHFFFAOYSA-N -1 0 208.148 1.575 50 5 BDBARM CC(=O)N(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000005495302 187411658 /nfs/dbraw/zinc/41/16/58/187411658.db2.gz AIDUVQSRLOCSLR-UHFFFAOYSA-N -1 0 238.199 1.032 50 5 BDBARM Cc1cc(F)c(C(=O)C(=O)[O-])cc1[N+](=O)[O-] ZINC000725262003 538087868 /nfs/dbraw/zinc/08/78/68/538087868.db2.gz QLAXQPYUVGYLKI-UHFFFAOYSA-N -1 0 227.147 1.310 50 5 BDBARM O=C([O-])c1ncc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000675070424 538502091 /nfs/dbraw/zinc/50/20/91/538502091.db2.gz YDVHSWOWZGIWMJ-UHFFFAOYSA-N -1 0 245.194 1.750 50 5 BDBARM O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000001883067 359000965 /nfs/dbraw/zinc/00/09/65/359000965.db2.gz OXNIZHLAWKMVMX-UHFFFAOYSA-N -1 0 229.104 1.117 50 5 biogenic,fda BDBARM CCOc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000002583737 371603432 /nfs/dbraw/zinc/60/34/32/371603432.db2.gz BSIOETYGDXDWBR-UHFFFAOYSA-N -1 0 211.173 1.692 50 5 BDBARM C[C@@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000003137058 371884158 /nfs/dbraw/zinc/88/41/58/371884158.db2.gz URBPRESWNDSZNO-MUWHJKNJSA-N -1 0 225.200 1.349 50 5 BDBARM O=C([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000003884580 182568421 /nfs/dbraw/zinc/56/84/21/182568421.db2.gz MKTQASLRSMDHRE-UHFFFAOYSA-N -1 0 236.227 1.893 50 5 BDBARM CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000261493838 169250239 /nfs/dbraw/zinc/25/02/39/169250239.db2.gz KFWZGDLLYPSFTI-UHFFFAOYSA-N -1 0 224.216 1.440 50 5 BDBARM O=C([O-])CSc1cccc([N+](=O)[O-])c1 ZINC000000346047 384080716 /nfs/dbraw/zinc/08/07/16/384080716.db2.gz JEXWGRCQMMPHBH-UHFFFAOYSA-N -1 0 213.214 1.772 50 5 BDBARM O=Cc1oc2cc([N+](=O)[O-])ccc2c1[O-] ZINC000100554608 384646946 /nfs/dbraw/zinc/64/69/46/384646946.db2.gz JNTYASVRRPOOPC-UHFFFAOYSA-N -1 0 207.141 1.859 50 5 BDBARM Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000026420210 387329496 /nfs/dbraw/zinc/32/94/96/387329496.db2.gz KGXLBFZRGWRWNN-UHFFFAOYSA-N -1 0 247.210 1.694 50 5 BDBARM CCc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000068675281 388714418 /nfs/dbraw/zinc/71/44/18/388714418.db2.gz HPSIVQOMPYCABJ-UHFFFAOYSA-N -1 0 240.171 1.764 50 5 BDBARM CCOC(=O)C=C([O-])c1ccccc1[N+](=O)[O-] ZINC000002575919 170197645 /nfs/dbraw/zinc/19/76/45/170197645.db2.gz OWZNCVIBJQPNEF-UHFFFAOYSA-N -1 0 237.211 1.731 50 5 BDBARM CCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000002504553 170290811 /nfs/dbraw/zinc/29/08/11/170290811.db2.gz HOYHBDFTELAGGG-UHFFFAOYSA-N -1 0 239.183 1.470 50 5 BDBARM C[C@@H](Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000021951907 175934125 /nfs/dbraw/zinc/93/41/25/175934125.db2.gz ICWPKCBMLYYZRP-ZCFIWIBFSA-N -1 0 210.189 1.480 50 5 BDBARM C[C@H](CC(=O)[O-])Oc1ccccc1[N+](=O)[O-] ZINC000000085110 176602562 /nfs/dbraw/zinc/60/25/62/176602562.db2.gz PWCWZTCUWINPMT-SSDOTTSWSA-N -1 0 225.200 1.837 50 5 BDBARM COc1c(O)c(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000034514893 346868770 /nfs/dbraw/zinc/86/87/70/346868770.db2.gz GWMPFGBRRHGDRA-UHFFFAOYSA-N -1 0 213.145 1.007 50 5 BDBARM O=c1nc(-c2cccc([N+](=O)[O-])c2)[n-]o1 ZINC000037926748 343361002 /nfs/dbraw/zinc/36/10/02/343361002.db2.gz COXDLQHDPALXMA-UHFFFAOYSA-N -1 0 207.145 1.350 50 5 BDBARM CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000002557814 344386912 /nfs/dbraw/zinc/38/69/12/344386912.db2.gz YPBRRZJQNAFLIJ-SECBINFHSA-N -1 0 225.200 1.837 50 5 BDBARM CN(CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000019280105 344453495 /nfs/dbraw/zinc/45/34/95/344453495.db2.gz YGAUDDLPJMAILT-UHFFFAOYSA-N -1 0 210.189 1.116 50 5 BDBARM O=C([O-])c1ncoc1-c1ccc([N+](=O)[O-])cc1 ZINC000012395514 344515460 /nfs/dbraw/zinc/51/54/60/344515460.db2.gz PUWYNVGKYCYJJF-UHFFFAOYSA-N -1 0 234.167 1.948 50 5 BDBARM O=C([O-])[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000014679722 344552703 /nfs/dbraw/zinc/55/27/03/344552703.db2.gz RKUGUORNGRELOH-SNVBAGLBSA-N -1 0 236.227 1.648 50 5 BDBARM O=C([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000000167843 344578974 /nfs/dbraw/zinc/57/89/74/344578974.db2.gz FLYKERXELOIGQB-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM O=C([O-])c1cccc(Cn2ccc([N+](=O)[O-])n2)c1 ZINC000000335378 344701607 /nfs/dbraw/zinc/70/16/07/344701607.db2.gz PCWADYMLQJVXRR-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-] ZINC000001700068 178933620 /nfs/dbraw/zinc/93/36/20/178933620.db2.gz ZDTXQHVBLWYPHS-UHFFFAOYSA-N -1 0 217.202 1.150 50 5 in-vitro BDBARM CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000001705957 188100236 /nfs/dbraw/zinc/10/02/36/188100236.db2.gz RMWYWQJCJOEMTR-UHFFFAOYSA-N -1 0 241.159 1.167 50 5 BDBARM O=C([O-])/C=C/C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000016009597 188105867 /nfs/dbraw/zinc/10/58/67/188105867.db2.gz LGJRLNBGSCFUBL-AATRIKPKSA-N -1 0 236.183 1.174 50 5 BDBARM CC(=O)Nc1c([O-])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000072260268 188131923 /nfs/dbraw/zinc/13/19/23/188131923.db2.gz FBXNQEXQCGBWPX-UHFFFAOYSA-N -1 0 241.159 1.167 50 5 BDBARM O=[N+]([O-])c1ccc(C[S@@](=O)[O-])cc1 ZINC000125980087 538527302 /nfs/dbraw/zinc/52/73/02/538527302.db2.gz HXTYUWCWSASADW-UHFFFAOYSA-N -1 0 201.203 1.317 50 5 BDBARM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000001687028 357132742 /nfs/dbraw/zinc/13/27/42/357132742.db2.gz LZWWZQXBKVZKIP-UHFFFAOYSA-N -1 0 226.144 1.510 50 5 BDBARM O=C([O-])C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000725262126 541335214 /nfs/dbraw/zinc/33/52/14/541335214.db2.gz XVJYRBGTSHAMSE-UHFFFAOYSA-N -1 0 231.110 1.140 50 5 BDBARM O=C([O-])C(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000725262078 541335260 /nfs/dbraw/zinc/33/52/60/541335260.db2.gz UVRKIGAAPPWIEY-UHFFFAOYSA-N -1 0 213.120 1.001 50 5 BDBARM O=C([O-])Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001693340 182491349 /nfs/dbraw/zinc/49/13/49/182491349.db2.gz KCNISYPADDTFDO-UHFFFAOYSA-N -1 0 226.144 1.130 50 5 in-vitro BDBARM O=C([O-])Cc1cccc(Cl)c1[N+](=O)[O-] ZINC000002573850 182492140 /nfs/dbraw/zinc/49/21/40/182492140.db2.gz BLJTYQBHLXPJPG-UHFFFAOYSA-N -1 0 215.592 1.875 50 5 BDBARM O=C([O-])c1cccc(Cl)c1[N+](=O)[O-] ZINC000002037605 182576854 /nfs/dbraw/zinc/57/68/54/182576854.db2.gz VCHSXYHBMFKRBK-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM O=C([O-])CSc1ccsc1[N+](=O)[O-] ZINC000003030332 384536653 /nfs/dbraw/zinc/53/66/53/384536653.db2.gz MEEZSVKAWULOFH-UHFFFAOYSA-N -1 0 219.243 1.833 50 5 BDBARM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1C ZINC000001735377 387036242 /nfs/dbraw/zinc/03/62/42/387036242.db2.gz ZTRNPQZQIALYJT-UHFFFAOYSA-N -1 0 231.229 1.458 50 5 BDBARM CC(=O)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000090197037 388396076 /nfs/dbraw/zinc/39/60/76/388396076.db2.gz GNUOPHZTNJHKLK-UHFFFAOYSA-N -1 0 238.199 1.180 50 5 BDBARM O=C([O-])CCCOc1ccccc1[N+](=O)[O-] ZINC000011800106 388709680 /nfs/dbraw/zinc/70/96/80/388709680.db2.gz CWNOXDTXZOYOAQ-UHFFFAOYSA-N -1 0 225.200 1.838 50 5 BDBARM CCOC(=O)Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000039366369 170236207 /nfs/dbraw/zinc/23/62/07/170236207.db2.gz LUJDSSIRFZIAEZ-UHFFFAOYSA-N -1 0 225.200 1.406 50 5 BDBARM CCOC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000218052263 170243701 /nfs/dbraw/zinc/24/37/01/170243701.db2.gz AGVJAEDRZSYFTI-UHFFFAOYSA-N -1 0 226.188 1.869 50 5 BDBARM COC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-] ZINC000000469054 173841431 /nfs/dbraw/zinc/84/14/31/173841431.db2.gz UTEQVEMDYYOJGM-UHFFFAOYSA-N -1 0 225.156 1.080 50 5 BDBARM COCCNc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000003888808 174341873 /nfs/dbraw/zinc/34/18/73/174341873.db2.gz DNPQOPWOYVMQNL-UHFFFAOYSA-N -1 0 240.215 1.351 50 5 BDBARM COc1ccc2oc(=O)c([N+](=O)[O-])c([O-])c2c1 ZINC000000058032 175230608 /nfs/dbraw/zinc/23/06/08/175230608.db2.gz CPMOVDXRQYGPSF-UHFFFAOYSA-N -1 0 237.167 1.415 50 5 BDBARM CO[N-]C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000032848414 342883562 /nfs/dbraw/zinc/88/35/62/342883562.db2.gz XTIDLUFAGWNFBD-UHFFFAOYSA-N -1 0 242.256 1.365 50 5 BDBARM Cc1ccc2c([O-])c([N+](=O)[O-])c(=O)oc2c1 ZINC000000058058 178941426 /nfs/dbraw/zinc/94/14/26/178941426.db2.gz WFTRHRRGGQOSLR-UHFFFAOYSA-N -1 0 221.168 1.715 50 5 biogenic,in-vitro BDBARM O=C([O-])c1cccc([N+](=O)[O-])c1Cl ZINC000000156414 188272641 /nfs/dbraw/zinc/27/26/41/188272641.db2.gz JRQDVRIQJJPHEQ-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000004743013 188276570 /nfs/dbraw/zinc/27/65/70/188276570.db2.gz OMVRRHJJQILIJX-UHFFFAOYSA-N -1 0 212.117 1.201 50 5 in-vitro BDBARM O=C([O-])c1c(F)cc([N+](=O)[O-])cc1F ZINC000117761622 188328037 /nfs/dbraw/zinc/32/80/37/188328037.db2.gz VDDOEPCUFDOETL-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM COc1cc(C(C)=O)c([O-])c([N+](=O)[O-])c1 ZINC000032233696 353610651 /nfs/dbraw/zinc/61/06/51/353610651.db2.gz JCPSCOLEARDZDX-UHFFFAOYSA-N -1 0 211.173 1.512 50 5 BDBARM COc1cc(Cl)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000039311715 359394183 /nfs/dbraw/zinc/39/41/83/359394183.db2.gz RSBXOVZBSUWTCT-UHFFFAOYSA-N -1 0 231.591 1.955 50 5 BDBARM O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1[O-] ZINC000003172332 368099076 /nfs/dbraw/zinc/09/90/76/368099076.db2.gz YUIDCTJTNTXYFM-UHFFFAOYSA-N -1 0 218.552 1.862 50 5 BDBARM COc1cc([N+](=O)[O-])c(C2OCCO2)cc1[O-] ZINC000039579943 368375803 /nfs/dbraw/zinc/37/58/03/368375803.db2.gz XBSHKZBIIHFCCQ-UHFFFAOYSA-N -1 0 241.199 1.354 50 5 BDBARM O=C([O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000000347460 182490360 /nfs/dbraw/zinc/49/03/60/182490360.db2.gz KNCGDIHMXCSJDC-UHFFFAOYSA-N -1 0 215.592 1.875 50 5 BDBARM Cc1nccn1-c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000022221474 384047164 /nfs/dbraw/zinc/04/71/64/384047164.db2.gz IUFVLPIIHJXSCC-UHFFFAOYSA-N -1 0 247.210 1.787 50 5 BDBARM O=C([O-])/C=C/c1c(F)cc([N+](=O)[O-])cc1F ZINC000263623896 385008880 /nfs/dbraw/zinc/00/88/80/385008880.db2.gz LQBGSJUGFJNVMY-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM COC(=O)c1cc([O-])c(F)cc1[N+](=O)[O-] ZINC000095217938 385679972 /nfs/dbraw/zinc/67/99/72/385679972.db2.gz IWYPVZJXNKHKRF-UHFFFAOYSA-N -1 0 215.136 1.226 50 5 BDBARM O=C([O-])CCCNc1ccccc1[N+](=O)[O-] ZINC000003888868 385844773 /nfs/dbraw/zinc/84/47/73/385844773.db2.gz AXVZVHGJXZEPLP-UHFFFAOYSA-N -1 0 224.216 1.872 50 5 BDBARM CNc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000004181442 386262336 /nfs/dbraw/zinc/26/23/36/386262336.db2.gz CEJSJXWFXSXWCA-UHFFFAOYSA-N -1 0 241.159 1.243 50 5 BDBARM O=C([O-])Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000051952500 386549559 /nfs/dbraw/zinc/54/95/59/386549559.db2.gz VDGWJLCMLXSEPW-UHFFFAOYSA-N -1 0 220.184 1.703 50 5 BDBARM O=C([O-])CCOc1ccc([N+](=O)[O-])cc1 ZINC000001605127 387069175 /nfs/dbraw/zinc/06/91/75/387069175.db2.gz RRQDYEMTBDVXQY-UHFFFAOYSA-N -1 0 211.173 1.448 50 5 BDBARM O=C([O-])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000022199906 388828122 /nfs/dbraw/zinc/82/81/22/388828122.db2.gz BYVVWINDBFSBQK-UHFFFAOYSA-N -1 0 215.592 1.875 50 5 BDBARM Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000002526122 388840552 /nfs/dbraw/zinc/84/05/52/388840552.db2.gz AWGKCXXVJHRDRK-UHFFFAOYSA-N -1 0 211.173 1.367 50 5 BDBARM COc1cc(OC)c(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000004343293 175007296 /nfs/dbraw/zinc/00/72/96/175007296.db2.gz NWJKDKBOADFMPZ-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM COc1ccc2c([O-])c([N+](=O)[O-])c(=O)oc2c1 ZINC000000058027 175205937 /nfs/dbraw/zinc/20/59/37/175205937.db2.gz XANZFICLJFFUKG-UHFFFAOYSA-N -1 0 237.167 1.415 50 5 biogenic,in-vitro BDBARM O=c1c2cccc(F)c2[n-]cc1[N+](=O)[O-] ZINC000256053046 527412430 /nfs/dbraw/zinc/41/24/30/527412430.db2.gz PTKJZIJHTZWEGE-UHFFFAOYSA-N -1 0 208.148 1.988 50 5 BDBARM CC(C)(C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000000276764 344672209 /nfs/dbraw/zinc/67/22/09/344672209.db2.gz AFRRWJPNQKSTEY-UHFFFAOYSA-N -1 0 209.201 1.957 50 5 BDBARM O=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000164389 188272043 /nfs/dbraw/zinc/27/20/43/188272043.db2.gz JAHIPDTWWVYVRV-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM O=C([O-])[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000037380812 363599931 /nfs/dbraw/zinc/59/99/31/363599931.db2.gz MZCREXORTQFYPP-DTWKUNHWSA-N -1 0 207.185 1.783 50 5 BDBARM O=[N+]([O-])c1ccccc1C[S@@](=O)[O-] ZINC000142201740 541504154 /nfs/dbraw/zinc/50/41/54/541504154.db2.gz LHJHBBOBTVQGLE-UHFFFAOYSA-N -1 0 201.203 1.317 50 5 BDBARM O=C(NCC(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000170599192 182125693 /nfs/dbraw/zinc/12/56/93/182125693.db2.gz AJIMJARFLOEBHU-UHFFFAOYSA-N -1 0 246.169 1.295 50 5 BDBARM O=C([O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000022015807 182549563 /nfs/dbraw/zinc/54/95/63/182549563.db2.gz BYWPORVVGREGBC-UHFFFAOYSA-N -1 0 206.157 1.774 50 5 BDBARM O=C([O-])c1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC000015443713 182556623 /nfs/dbraw/zinc/55/66/23/182556623.db2.gz LNUUYCCKQBKIIJ-UHFFFAOYSA-N -1 0 236.227 1.893 50 5 BDBARM O=c1sc2ccccc2c([O-])c1[N+](=O)[O-] ZINC000100570251 183013211 /nfs/dbraw/zinc/01/32/11/183013211.db2.gz IPWZHKPVZQGTFH-UHFFFAOYSA-N -1 0 223.209 1.875 50 5 BDBARM COC(=O)c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000043828194 383986008 /nfs/dbraw/zinc/98/60/08/383986008.db2.gz ZQIHGTCQYHQBMY-UHFFFAOYSA-N -1 0 227.172 1.096 50 5 BDBARM CCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000261493757 384329874 /nfs/dbraw/zinc/32/98/74/384329874.db2.gz IRBMPNYJKOKJFO-UHFFFAOYSA-N -1 0 238.243 1.830 50 5 BDBARM Nc1cc([O-])c([N+](=O)[O-])c2cccnc12 ZINC000071773697 384673763 /nfs/dbraw/zinc/67/37/63/384673763.db2.gz MCOJBCDHIGYGLO-UHFFFAOYSA-N -1 0 205.173 1.431 50 5 BDBARM CS(=O)(=O)[N-]c1cc(F)ccc1[N+](=O)[O-] ZINC000149136172 384805616 /nfs/dbraw/zinc/80/56/16/384805616.db2.gz CGBXCAWTYKANIC-UHFFFAOYSA-N -1 0 234.208 1.105 50 5 BDBARM O=C([O-])/C=C/c1cc([N+](=O)[O-])cc(F)c1F ZINC000263623140 385009551 /nfs/dbraw/zinc/00/95/51/385009551.db2.gz FAEBGVPWSVHUBL-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM Cn1c2ccccc2c2oc(=O)cc([O-])c2c1=O ZINC000100516943 385139863 /nfs/dbraw/zinc/13/98/63/385139863.db2.gz RKUYXLYLHKPBBS-UHFFFAOYSA-N -1 0 243.218 1.351 50 5 BDBARM COC(=O)c1cc(=O)c2cc([N+](=O)[O-])ccc2[n-]1 ZINC000001043835 385729290 /nfs/dbraw/zinc/72/92/90/385729290.db2.gz OFNPBZVQMSFLIS-UHFFFAOYSA-N -1 0 248.194 1.635 50 5 BDBARM CONC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000086437337 385816292 /nfs/dbraw/zinc/81/62/92/385816292.db2.gz AZXNXULSOMXPON-UHFFFAOYSA-N -1 0 214.152 1.025 50 5 BDBARM COC(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000001761786 387529820 /nfs/dbraw/zinc/52/98/20/387529820.db2.gz MIIADZYPHVTLPR-UHFFFAOYSA-N -1 0 225.156 1.080 50 5 BDBARM CCOC(=O)C=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000000133329 170197393 /nfs/dbraw/zinc/19/73/93/170197393.db2.gz NGRXSVFCLHVGKU-UHFFFAOYSA-N -1 0 237.211 1.731 50 5 BDBARM CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000003163569 172387393 /nfs/dbraw/zinc/38/73/93/172387393.db2.gz MMKVKJYNBQOXPZ-UHFFFAOYSA-N -1 0 244.634 1.656 50 5 BDBARM CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000057294247 173309402 /nfs/dbraw/zinc/30/94/02/173309402.db2.gz DFAJJIGUSYIDFZ-UHFFFAOYSA-N -1 0 230.607 1.313 50 5 BDBARM Cc1ccc(C(=O)C(=O)[O-])cc1[N+](=O)[O-] ZINC000139131447 968438635 /nfs/dbraw/zinc/43/86/35/968438635.db2.gz MBYYFRAFEQGYEX-UHFFFAOYSA-N -1 0 209.157 1.171 50 5 BDBARM Cc1cc(OCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000002526123 178210051 /nfs/dbraw/zinc/21/00/51/178210051.db2.gz ZCGFXEDUXQCHRZ-UHFFFAOYSA-N -1 0 211.173 1.367 50 5 BDBARM O=[N+]([O-])c1ccc([S@](=O)[O-])c([N+](=O)[O-])c1 ZINC000034108027 538953416 /nfs/dbraw/zinc/95/34/16/538953416.db2.gz KGHYRBRFQZUPSE-UHFFFAOYSA-N -1 0 232.173 1.084 50 5 BDBARM O=C([O-])c1noc2cc([N+](=O)[O-])ccc21 ZINC000002006360 342714259 /nfs/dbraw/zinc/71/42/59/342714259.db2.gz ZLEFVQVMLIQEOU-UHFFFAOYSA-N -1 0 208.129 1.434 50 5 BDBARM O=C([O-])[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000014679720 344552158 /nfs/dbraw/zinc/55/21/58/344552158.db2.gz RKUGUORNGRELOH-JTQLQIEISA-N -1 0 236.227 1.648 50 5 BDBARM Cc1cc(=O)n(C(=O)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000005500790 190974592 /nfs/dbraw/zinc/97/45/92/190974592.db2.gz JSSDYZWXQJIZDX-UHFFFAOYSA-N -1 0 247.210 1.343 50 5 BDBARM O=C([O-])c1cc(-c2ccc([N+](=O)[O-])cc2)on1 ZINC000025757533 353134360 /nfs/dbraw/zinc/13/43/60/353134360.db2.gz GBRSPKXOFRTAHS-UHFFFAOYSA-N -1 0 234.167 1.948 50 5 BDBARM O=C([O-])/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000028259 188272247 /nfs/dbraw/zinc/27/22/47/188272247.db2.gz MZRKEXUFISGDKS-SNAWJCMRSA-N -1 0 236.183 1.174 50 5 BDBARM CC(C)Cc1nn(C)c(C(=O)[O-])c1[N+](=O)[O-] ZINC000004294415 188276479 /nfs/dbraw/zinc/27/64/79/188276479.db2.gz GIYYGHMYUNYGKY-UHFFFAOYSA-N -1 0 227.220 1.225 50 5 BDBARM CC(=O)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000005900119 188277999 /nfs/dbraw/zinc/27/79/99/188277999.db2.gz HCRXJQUTVJMSIK-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 BDBARM COc1ccc([N+](=O)[O-])c(C[C@@H](C)C(=O)[O-])n1 ZINC000040447926 188291720 /nfs/dbraw/zinc/29/17/20/188291720.db2.gz KDNGKYRXJNLXCR-ZCFIWIBFSA-N -1 0 240.215 1.262 50 5 BDBARM O=C([O-])c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC000001680864 357133379 /nfs/dbraw/zinc/13/33/79/357133379.db2.gz PHELEJSJZGCLEJ-UHFFFAOYSA-N -1 0 218.168 1.841 50 5 BDBARM CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000001706881 357168291 /nfs/dbraw/zinc/16/82/91/357168291.db2.gz PXAFGNQRBIXGLM-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 BDBARM O=C([O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000036883494 361576470 /nfs/dbraw/zinc/57/64/70/361576470.db2.gz FVBVFSSLGYGGJX-UHFFFAOYSA-N -1 0 233.126 1.894 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])nn1C1CCCC1 ZINC000020313865 371262663 /nfs/dbraw/zinc/26/26/63/371262663.db2.gz AAOKOARUVYPHDM-UHFFFAOYSA-N -1 0 225.204 1.605 50 5 BDBARM O=C([O-])c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000004228179 372174216 /nfs/dbraw/zinc/17/42/16/372174216.db2.gz YKNRUBPOGQLIKS-UHFFFAOYSA-N -1 0 218.168 1.841 50 5 BDBARM O=C([O-])C(=S)Cc1ccccc1[N+](=O)[O-] ZINC000103754996 182408888 /nfs/dbraw/zinc/40/88/88/182408888.db2.gz FPWYECZNLFRQEO-VMPITWQZSA-N -1 0 225.225 1.950 50 5 BDBARM O=C([O-])C1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000070569437 182429959 /nfs/dbraw/zinc/42/99/59/182429959.db2.gz IVELCXUDFCVTMA-UHFFFAOYSA-N -1 0 222.200 1.116 50 5 BDBARM O=C([O-])[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000037380810 182545798 /nfs/dbraw/zinc/54/57/98/182545798.db2.gz MZCREXORTQFYPP-BDAKNGLRSA-N -1 0 207.185 1.783 50 5 BDBARM CC(C)(C)c1[nH]nc(C(=O)[O-])c1[N+](=O)[O-] ZINC000066442652 383864260 /nfs/dbraw/zinc/86/42/60/383864260.db2.gz OLPKIOKCWXMRHE-UHFFFAOYSA-N -1 0 213.193 1.314 50 5 BDBARM CC(=O)Nc1cc([O-])c(C(C)=O)cc1[N+](=O)[O-] ZINC000085210692 384927818 /nfs/dbraw/zinc/92/78/18/384927818.db2.gz LWTSKMDGAXLZJJ-UHFFFAOYSA-N -1 0 238.199 1.461 50 5 BDBARM O=[N+]([O-])c1cc([O-])cc([N+](=O)[O-])c1F ZINC000085477390 385197631 /nfs/dbraw/zinc/19/76/31/385197631.db2.gz AOHRUGRXVVCAEE-UHFFFAOYSA-N -1 0 202.097 1.348 50 5 BDBARM CO[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540917 387289674 /nfs/dbraw/zinc/28/96/74/387289674.db2.gz NOWYLHKMLFFHLR-LURJTMIESA-N -1 0 240.215 1.274 50 5 BDBARM O=C([O-])CCCOc1cccc([N+](=O)[O-])c1 ZINC000002812318 388350421 /nfs/dbraw/zinc/35/04/21/388350421.db2.gz MBGXVUBSVCRYES-UHFFFAOYSA-N -1 0 225.200 1.838 50 5 BDBARM CCc1cc(C(=O)[O-])c(OC)c([N+](=O)[O-])c1 ZINC000057339085 388357241 /nfs/dbraw/zinc/35/72/41/388357241.db2.gz FERPKRUFQSDWRS-UHFFFAOYSA-N -1 0 225.200 1.864 50 5 BDBARM C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000020149767 388754263 /nfs/dbraw/zinc/75/42/63/388754263.db2.gz FELSXTCZSJSHHZ-LURJTMIESA-N -1 0 242.256 1.665 50 5 BDBARM CC(C)[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000019754003 167436892 /nfs/dbraw/zinc/43/68/92/167436892.db2.gz CHQDVCCSZLNKJA-MRVPVSSYSA-N -1 0 239.231 1.511 50 5 BDBARM CCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003885887 170173935 /nfs/dbraw/zinc/17/39/35/170173935.db2.gz XPLTXYDVYDWSSO-UHFFFAOYSA-N -1 0 210.189 1.725 50 5 BDBARM CCOC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000028278532 170298062 /nfs/dbraw/zinc/29/80/62/170298062.db2.gz VDARTPBFQUTSTO-UHFFFAOYSA-N -1 0 211.173 1.477 50 5 BDBARM COc1cc([N+](=O)[O-])c(C(=O)[O-])cc1O ZINC000012480445 175017651 /nfs/dbraw/zinc/01/76/51/175017651.db2.gz VAFJDIUJDDCMHN-UHFFFAOYSA-N -1 0 213.145 1.007 50 5 BDBARM COc1ccc(OC)c([N+](=O)[O-])c1C(=O)[O-] ZINC000038284279 175170091 /nfs/dbraw/zinc/17/00/91/175170091.db2.gz FWXKXSMYSALLCF-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1C ZINC000001600824 178270571 /nfs/dbraw/zinc/27/05/71/178270571.db2.gz HWYUVFKGQPJIFG-UHFFFAOYSA-N -1 0 212.161 1.825 50 5 BDBARM O=C([O-])c1ncoc1-c1cccc([N+](=O)[O-])c1 ZINC000015021409 342890875 /nfs/dbraw/zinc/89/08/75/342890875.db2.gz TXIIRMPKHMVIGN-UHFFFAOYSA-N -1 0 234.167 1.948 50 5 BDBARM Nc1nc(=O)c2c[n-]c3c(F)cccc3c-2n1 ZINC000026507499 343105952 /nfs/dbraw/zinc/10/59/52/343105952.db2.gz XKLXPCPGWRIFAT-UHFFFAOYSA-N -1 0 230.202 1.193 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000000156878 344569017 /nfs/dbraw/zinc/56/90/17/344569017.db2.gz QUEKGYQTRJVEQC-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM CCc1cc(C(=O)[O-])c(N)c([N+](=O)[O-])c1 ZINC000005064500 344927438 /nfs/dbraw/zinc/92/74/38/344927438.db2.gz PHWUPVLTCADCTF-UHFFFAOYSA-N -1 0 210.189 1.438 50 5 BDBARM CC(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000005160936 345170049 /nfs/dbraw/zinc/17/00/49/345170049.db2.gz HHNTZMHFBQIQAK-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 BDBARM Cc1ncc(-n2cc([N+](=O)[O-])cn2)cc1C(=O)[O-] ZINC000004866910 180123360 /nfs/dbraw/zinc/12/33/60/180123360.db2.gz DZJBKLAFFNZCGB-UHFFFAOYSA-N -1 0 248.198 1.182 50 5 BDBARM O=C([O-])c1ccnc2cccc([N+](=O)[O-])c21 ZINC000001027309 350985639 /nfs/dbraw/zinc/98/56/39/350985639.db2.gz IUPRIJZNXWHBKH-UHFFFAOYSA-N -1 0 218.168 1.841 50 5 BDBARM CC(=O)C=C([O-])c1ccccc1[N+](=O)[O-] ZINC000100084122 188333468 /nfs/dbraw/zinc/33/34/68/188333468.db2.gz GHVZFKABKYFVRO-UHFFFAOYSA-N -1 0 207.185 1.757 50 5 BDBARM CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1[O-] ZINC000035225228 356418381 /nfs/dbraw/zinc/41/83/81/356418381.db2.gz ZHAGCIGDVFNQSW-UHFFFAOYSA-N -1 0 210.189 1.567 50 5 BDBARM O=C([O-])c1c(Cl)cccc1[N+](=O)[O-] ZINC000001587867 356978466 /nfs/dbraw/zinc/97/84/66/356978466.db2.gz JYHOMEFOTKWQPN-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM CCOC(=O)Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000072267074 368380860 /nfs/dbraw/zinc/38/08/60/368380860.db2.gz RYWWXFRNYIQACB-UHFFFAOYSA-N -1 0 225.200 1.406 50 5 BDBARM O=C([O-])c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O ZINC000003833068 372073519 /nfs/dbraw/zinc/07/35/19/372073519.db2.gz HVEINHUJRQCZNZ-UHFFFAOYSA-N -1 0 234.167 1.135 50 5 BDBARM Cc1cc(C)c(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000005007507 384095620 /nfs/dbraw/zinc/09/56/20/384095620.db2.gz LUFAZLKJBJPUSV-UHFFFAOYSA-N -1 0 225.200 1.675 50 5 BDBARM Cc1ccc([N+](=O)[O-])cc1[S@@](=O)[O-] ZINC000071773049 384178277 /nfs/dbraw/zinc/17/82/77/384178277.db2.gz RCDAJKSUDFEUGV-UHFFFAOYSA-N -1 0 201.203 1.484 50 5 BDBARM COc1cc(C(C)=O)c([N+](=O)[O-])cc1[O-] ZINC000098179170 384497435 /nfs/dbraw/zinc/49/74/35/384497435.db2.gz GZOJFKIFPFUTFG-UHFFFAOYSA-N -1 0 211.173 1.512 50 5 BDBARM COc1cc([O-])c(Cl)cc1[N+](=O)[O-] ZINC000071774070 384673197 /nfs/dbraw/zinc/67/31/97/384673197.db2.gz PQOIXMUHBAYYJM-UHFFFAOYSA-N -1 0 203.581 1.962 50 5 BDBARM Cn1c(=O)c2ccc([N+](=O)[O-])cc2[n-]c1=S ZINC000100486860 384643109 /nfs/dbraw/zinc/64/31/09/384643109.db2.gz WVDQKGQKETYBJM-UHFFFAOYSA-N -1 0 237.240 1.130 50 5 BDBARM CCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000001603363 387070374 /nfs/dbraw/zinc/07/03/74/387070374.db2.gz ASIBMPOSLZTHOI-UHFFFAOYSA-N -1 0 211.173 1.692 50 5 BDBARM COc1c(C(=O)[O-])csc1[N+](=O)[O-] ZINC000001037356 174919554 /nfs/dbraw/zinc/91/95/54/174919554.db2.gz JTHPYVPTAPGQBC-UHFFFAOYSA-N -1 0 203.175 1.363 50 5 BDBARM O=C([O-])C(=O)c1cccc([N+](=O)[O-])c1F ZINC000725262013 538087909 /nfs/dbraw/zinc/08/79/09/538087909.db2.gz QVUJFPCWXCNOAB-UHFFFAOYSA-N -1 0 213.120 1.001 50 5 BDBARM O=C([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000004202243 187586039 /nfs/dbraw/zinc/58/60/39/187586039.db2.gz HCSBTDBGTNZOAB-UHFFFAOYSA-N -1 0 212.117 1.201 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000000032336 188272550 /nfs/dbraw/zinc/27/25/50/188272550.db2.gz QAYNSPOKTRVZRC-UHFFFAOYSA-N -1 0 201.565 1.946 50 5 BDBARM O=C([O-])c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000000335385 188273087 /nfs/dbraw/zinc/27/30/87/188273087.db2.gz DBMACUOANYJOMN-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM O=C([O-])c1cccc([N+](=O)[O-])c1N1CCCC1 ZINC000004342617 188276481 /nfs/dbraw/zinc/27/64/81/188276481.db2.gz TZXHPSXCEZFUID-UHFFFAOYSA-N -1 0 236.227 1.893 50 5 BDBARM Cc1ccc(CC(=O)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000001705010 188334284 /nfs/dbraw/zinc/33/42/84/188334284.db2.gz SRRSFSUXQOWOAA-UHFFFAOYSA-N -1 0 223.184 1.099 50 5 BDBARM O=C([O-])c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000001397309 353347593 /nfs/dbraw/zinc/34/75/93/353347593.db2.gz YPKLOOQBMQJXKS-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM O=C([O-])c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002172990 363849432 /nfs/dbraw/zinc/84/94/32/363849432.db2.gz VVQOEJCXWMGEJG-UHFFFAOYSA-N -1 0 246.562 1.855 50 5 BDBARM Cc1c([N+](=O)[O-])cccc1[S@@](=O)[O-] ZINC000125984150 541468565 /nfs/dbraw/zinc/46/85/65/541468565.db2.gz WTGUMQVHGNAELM-UHFFFAOYSA-N -1 0 201.203 1.484 50 5 BDBARM CN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019845324 371193063 /nfs/dbraw/zinc/19/30/63/371193063.db2.gz RIBZKYVKDZGFBP-UHFFFAOYSA-N -1 0 210.189 1.359 50 5 BDBARM O=c1[n-]cc(Br)cc1[N+](=O)[O-] ZINC000008698072 372852738 /nfs/dbraw/zinc/85/27/38/372852738.db2.gz WXRLCVUDLFFTFF-UHFFFAOYSA-N -1 0 218.994 1.046 50 5 in-vitro BDBARM C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000040377490 373212896 /nfs/dbraw/zinc/21/28/96/373212896.db2.gz SQSQBTYAUOXOJI-SSDOTTSWSA-N -1 0 209.201 1.858 50 5 BDBARM C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000040377489 373212933 /nfs/dbraw/zinc/21/29/33/373212933.db2.gz SQSQBTYAUOXOJI-ZETCQYMHSA-N -1 0 209.201 1.858 50 5 BDBARM O=C([O-])C1(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000067801570 182422579 /nfs/dbraw/zinc/42/25/79/182422579.db2.gz SDRFNFYHSBDMFV-UHFFFAOYSA-N -1 0 235.195 1.642 50 5 BDBARM O=C([O-])CSc1ccc([N+](=O)[O-])cc1 ZINC000000375249 182474019 /nfs/dbraw/zinc/47/40/19/182474019.db2.gz AMSJBNMFXXARTQ-UHFFFAOYSA-N -1 0 213.214 1.772 50 5 BDBARM O=C([O-])CSc1ncccc1[N+](=O)[O-] ZINC000000169889 383830408 /nfs/dbraw/zinc/83/04/08/383830408.db2.gz WBPUHBNGHSAAGT-UHFFFAOYSA-N -1 0 214.202 1.167 50 5 biogenic,in-vitro BDBARM O=C([O-])CSc1ccccc1[N+](=O)[O-] ZINC000000318558 384041912 /nfs/dbraw/zinc/04/19/12/384041912.db2.gz PINPTHMYKLERLV-UHFFFAOYSA-N -1 0 213.214 1.772 50 5 BDBARM O=C([O-])CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000345355 384081622 /nfs/dbraw/zinc/08/16/22/384081622.db2.gz VNDVLOPITGDGOG-UHFFFAOYSA-N -1 0 223.184 1.642 50 5 BDBARM Nc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000073642796 384260162 /nfs/dbraw/zinc/26/01/62/384260162.db2.gz SAOMJFDQNMQPJJ-UHFFFAOYSA-N -1 0 233.021 1.645 50 5 BDBARM CCOc1cc(C=O)c([O-])c([N+](=O)[O-])c1 ZINC000098063945 384584915 /nfs/dbraw/zinc/58/49/15/384584915.db2.gz FRFZQFHJMSWSAH-UHFFFAOYSA-N -1 0 211.173 1.512 50 5 BDBARM O=[N+]([O-])c1ccc2c(c1[O-])CCC[C@H]2O ZINC000071773378 384673110 /nfs/dbraw/zinc/67/31/10/384673110.db2.gz USELYHOTSBMMNB-SECBINFHSA-N -1 0 209.201 1.670 50 5 BDBARM COc1c2c(cc(C(=O)[O-])c1[N+](=O)[O-])OCO2 ZINC000065336697 385066394 /nfs/dbraw/zinc/06/63/94/385066394.db2.gz BBBIPDJLOKCSMD-UHFFFAOYSA-N -1 0 241.155 1.030 50 5 BDBARM O=C([O-])C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032918533 385190158 /nfs/dbraw/zinc/19/01/58/385190158.db2.gz GWOWMWDHYGMVSZ-UHFFFAOYSA-N -1 0 207.185 1.711 50 5 BDBARM O=[N+]([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[O-] ZINC000064633620 387591461 /nfs/dbraw/zinc/59/14/61/387591461.db2.gz UPOHJPYGIYINKG-UHFFFAOYSA-N -1 0 229.104 1.117 50 5 in-vitro BDBARM Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)[O-] ZINC000004294416 388398504 /nfs/dbraw/zinc/39/85/04/388398504.db2.gz BIUAIXZQSATZOF-UHFFFAOYSA-N -1 0 227.220 1.324 50 5 BDBARM COC(=O)c1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC000090513762 388788851 /nfs/dbraw/zinc/78/88/51/388788851.db2.gz YXDYHFYQRLFAFN-UHFFFAOYSA-N -1 0 221.172 1.258 50 5 BDBARM O=C([O-])CCNc1ccc([N+](=O)[O-])cc1 ZINC000019509508 397915835 /nfs/dbraw/zinc/91/58/35/397915835.db2.gz CKMRSZAIJYEUKL-UHFFFAOYSA-N -1 0 210.189 1.481 50 5 BDBARM COCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155993218 174135454 /nfs/dbraw/zinc/13/54/54/174135454.db2.gz MQTIQORXYIGUIV-UHFFFAOYSA-N -1 0 240.215 1.275 50 5 BDBARM COCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019396070 174369844 /nfs/dbraw/zinc/36/98/44/174369844.db2.gz KIIRJRFGMLKNOI-UHFFFAOYSA-N -1 0 241.199 1.318 50 5 BDBARM COc1ccc([N+](=O)[O-])c(OC)c1C(=O)[O-] ZINC000005210551 175201030 /nfs/dbraw/zinc/20/10/30/175201030.db2.gz YIKBQFPTPKEFSM-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM COc1cccc(CC(=O)[O-])c1[N+](=O)[O-] ZINC000032190583 175250928 /nfs/dbraw/zinc/25/09/28/175250928.db2.gz DWCSLSQNQCMBLA-UHFFFAOYSA-N -1 0 211.173 1.231 50 5 BDBARM C[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000000345373 176604091 /nfs/dbraw/zinc/60/40/91/176604091.db2.gz PRMRZXDCDPVYAZ-SSDOTTSWSA-N -1 0 237.211 1.888 50 5 BDBARM CC(C)(C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000032202227 343230700 /nfs/dbraw/zinc/23/07/00/343230700.db2.gz MBYUEHBQZXQBKX-UHFFFAOYSA-N -1 0 209.201 1.957 50 5 BDBARM O=C([O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000004715306 343974427 /nfs/dbraw/zinc/97/44/27/343974427.db2.gz YCUYSGICYXXUHR-UHFFFAOYSA-N -1 0 234.167 1.135 50 5 BDBARM CCCn1c(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000000337388 344701663 /nfs/dbraw/zinc/70/16/63/344701663.db2.gz CHNVWOWPXOEEMR-UHFFFAOYSA-N -1 0 212.205 1.813 50 5 BDBARM Cc1ccc(O[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000006272407 178817583 /nfs/dbraw/zinc/81/75/83/178817583.db2.gz QWOCFVIACPYANN-ZETCQYMHSA-N -1 0 225.200 1.755 50 5 BDBARM CC(=O)C=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000100084126 191062116 /nfs/dbraw/zinc/06/21/16/191062116.db2.gz UUFHFNDYTYXICJ-UHFFFAOYSA-N -1 0 207.185 1.757 50 5 BDBARM O=[N+]([O-])c1c([S-])nc2sccn21 ZINC000001399959 353352639 /nfs/dbraw/zinc/35/26/39/353352639.db2.gz GBZQDTKWZGXBHW-UHFFFAOYSA-N -1 0 201.232 1.593 50 5 BDBARM O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000001693336 357154360 /nfs/dbraw/zinc/15/43/60/357154360.db2.gz KESYALTWUAFAAC-UHFFFAOYSA-N -1 0 218.552 1.862 50 5 BDBARM CCc1ccc([N+](=O)[O-])cc1[S@@](=O)[O-] ZINC000125984444 541468570 /nfs/dbraw/zinc/46/85/70/541468570.db2.gz DNXXIMJYTKHWMU-UHFFFAOYSA-N -1 0 215.230 1.738 50 5 BDBARM C[C@H](C(=O)[O-])[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000003137057 371884461 /nfs/dbraw/zinc/88/44/61/371884461.db2.gz URBPRESWNDSZNO-RCOVLWMOSA-N -1 0 225.200 1.349 50 5 BDBARM CC(=O)Nc1c(C)ccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000004021782 372119083 /nfs/dbraw/zinc/11/90/83/372119083.db2.gz TXVWKWQKCFPEDJ-UHFFFAOYSA-N -1 0 238.199 1.560 50 5 BDBARM C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000004105166 372141602 /nfs/dbraw/zinc/14/16/02/372141602.db2.gz BIKAQDFSUOACQG-BYPYZUCNSA-N -1 0 245.622 1.528 50 5 BDBARM O=c1[n-]cc([N+](=O)[O-])cc1Br ZINC000004127424 372148449 /nfs/dbraw/zinc/14/84/49/372148449.db2.gz KWSOHRDMTWDAOI-UHFFFAOYSA-N -1 0 218.994 1.046 50 5 BDBARM O=C([O-])[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000037380824 182521992 /nfs/dbraw/zinc/52/19/92/182521992.db2.gz BIHOAKPNPOGWEV-DTWKUNHWSA-N -1 0 207.185 1.783 50 5 BDBARM O=C([O-])c1cc(F)cc([N+](=O)[O-])c1F ZINC000034613227 182555849 /nfs/dbraw/zinc/55/58/49/182555849.db2.gz KMUYMGMBJNSLQM-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM O=C([O-])c1cc2cc([N+](=O)[O-])ccc2[nH]c1=O ZINC000002513003 182560331 /nfs/dbraw/zinc/56/03/31/182560331.db2.gz MBKQRJOWRRDAJL-UHFFFAOYSA-N -1 0 234.167 1.135 50 5 BDBARM O=C([O-])c1cc2ccc([N+](=O)[O-])cc2oc1=O ZINC000034497536 182560477 /nfs/dbraw/zinc/56/04/77/182560477.db2.gz DJPKHKOFYXFQRV-UHFFFAOYSA-N -1 0 235.151 1.399 50 5 BDBARM CCCOc1cc(C=O)cc([N+](=O)[O-])c1[O-] ZINC000071864132 169315046 /nfs/dbraw/zinc/31/50/46/169315046.db2.gz XOTMRYLMVFWNPI-UHFFFAOYSA-N -1 0 225.200 1.902 50 5 BDBARM O=C([O-])CCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000005409223 385072967 /nfs/dbraw/zinc/07/29/67/385072967.db2.gz UPLXRNJPINFWOL-UHFFFAOYSA-N -1 0 235.199 1.488 50 5 BDBARM Cc1cn(-c2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC000098213550 385214855 /nfs/dbraw/zinc/21/48/55/385214855.db2.gz GDRMXFAPDYQNSA-UHFFFAOYSA-N -1 0 219.200 1.795 50 5 BDBARM COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000000157114 385262287 /nfs/dbraw/zinc/26/22/87/385262287.db2.gz ZCRNIIJXDRYWDU-UHFFFAOYSA-N -1 0 225.156 1.080 50 5 BDBARM O=C([O-])c1cn(C2CCCC2)nc1[N+](=O)[O-] ZINC000095836854 385593379 /nfs/dbraw/zinc/59/33/79/385593379.db2.gz QMOXBLQNFXWHNG-UHFFFAOYSA-N -1 0 225.204 1.605 50 5 BDBARM Cc1cc(C)c(S(=O)(=O)[O-])cc1[N+](=O)[O-] ZINC000001735382 387036476 /nfs/dbraw/zinc/03/64/76/387036476.db2.gz GNAASVNHWIVVGF-UHFFFAOYSA-N -1 0 231.229 1.458 50 5 BDBARM O=C([O-])c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 ZINC000006222039 387603545 /nfs/dbraw/zinc/60/35/45/387603545.db2.gz DEIMZQAJDJJZHH-UHFFFAOYSA-N -1 0 237.171 1.131 50 5 BDBARM COc1cc(C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000116833565 388716212 /nfs/dbraw/zinc/71/62/12/388716212.db2.gz JXCYBTVSPGQRCM-UHFFFAOYSA-N -1 0 215.136 1.441 50 5 BDBARM O=C([O-])[C@H]1COc2ccc([N+](=O)[O-])cc21 ZINC000069910407 388726834 /nfs/dbraw/zinc/72/68/34/388726834.db2.gz SSOXGAJFKZQCAD-ZETCQYMHSA-N -1 0 209.157 1.155 50 5 BDBARM O=c1oc2ccccc2c([O-])c1[N+](=O)[O-] ZINC000006576220 322816398 /nfs/dbraw/zinc/81/63/98/322816398.db2.gz NZQAQAUWFHMVEM-UHFFFAOYSA-N -1 0 207.141 1.407 50 5 biogenic BDBARM CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000057294244 166625256 /nfs/dbraw/zinc/62/52/56/166625256.db2.gz WSTGWRPFOVGSOY-UHFFFAOYSA-N -1 0 238.243 1.829 50 5 BDBARM CC(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000261494197 167086300 /nfs/dbraw/zinc/08/63/00/167086300.db2.gz RSKHXQGVLLXUIS-UHFFFAOYSA-N -1 0 224.216 1.439 50 5 BDBARM CC[C@H](C(=O)[O-])n1nc([N+](=O)[O-])cc1C ZINC000002535198 171238500 /nfs/dbraw/zinc/23/85/00/171238500.db2.gz PLDJFKIGCVPYLK-ZCFIWIBFSA-N -1 0 213.193 1.135 50 5 BDBARM COc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000000338827 175047046 /nfs/dbraw/zinc/04/70/46/175047046.db2.gz ZTPILCFVGFXZOA-HWKANZROSA-N -1 0 223.184 1.701 50 5 BDBARM COc1ccc([N+](=O)[O-])cc1CC(=O)[O-] ZINC000003750870 175200892 /nfs/dbraw/zinc/20/08/92/175200892.db2.gz TZQZNDOEOCOJFS-UHFFFAOYSA-N -1 0 211.173 1.231 50 5 BDBARM COCCOc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000163901729 959250882 /nfs/dbraw/zinc/25/08/82/959250882.db2.gz ROKCEGAQJQQRAC-UHFFFAOYSA-N -1 0 241.199 1.318 50 5 BDBARM O=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000001631248 342706628 /nfs/dbraw/zinc/70/66/28/342706628.db2.gz MWFVAHOPRCFNCA-UHFFFAOYSA-N -1 0 206.157 1.774 50 5 BDBARM Nc1cc(F)cc([N+](=O)[O-])c1C(=O)[O-] ZINC000043220720 343008253 /nfs/dbraw/zinc/00/82/53/343008253.db2.gz QXRCKMMTAQYOLP-UHFFFAOYSA-N -1 0 200.125 1.014 50 5 BDBARM O=C([O-])c1n[nH]c2c1cccc2[N+](=O)[O-] ZINC000021985621 343843235 /nfs/dbraw/zinc/84/32/35/343843235.db2.gz OEVZNTWOQBYJQU-UHFFFAOYSA-N -1 0 207.145 1.169 50 5 BDBARM O=C([O-])c1c(F)ccc([N+](=O)[O-])c1F ZINC000000265814 344666448 /nfs/dbraw/zinc/66/64/48/344666448.db2.gz PDDHSNODMFIIRV-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM CCOc1c([O-])ccc(C=O)c1[N+](=O)[O-] ZINC000000464113 345871339 /nfs/dbraw/zinc/87/13/39/345871339.db2.gz NJASMHYJYRKBBO-UHFFFAOYSA-N -1 0 211.173 1.512 50 5 BDBARM Nc1cc(NCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000005390763 346206329 /nfs/dbraw/zinc/20/63/29/346206329.db2.gz BSYFYFNFJAQSEL-UHFFFAOYSA-N -1 0 239.231 1.454 50 5 BDBARM Cc1cc(C(=O)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000725262154 538087990 /nfs/dbraw/zinc/08/79/90/538087990.db2.gz YWRIJIUUFDFBQH-UHFFFAOYSA-N -1 0 209.157 1.171 50 5 BDBARM O=[N+]([O-])c1cccc(OP(=O)([O-])[O-])c1 ZINC000005785202 350595573 /nfs/dbraw/zinc/59/55/73/350595573.db2.gz XBUUVLVJXNRBPN-UHFFFAOYSA-N -1 0 219.089 1.066 50 5 BDBARM O=C([O-])c1cc(F)c([N+](=O)[O-])cc1F ZINC000002580679 351071896 /nfs/dbraw/zinc/07/18/96/351071896.db2.gz GPTNSBLYGCZJQV-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM CC(=O)C(=C(C)O)c1ccccc1[N+](=O)[O-] ZINC000100354097 188335011 /nfs/dbraw/zinc/33/50/11/188335011.db2.gz CBYZMHCTWCVYKF-UHFFFAOYSA-N -1 0 221.212 1.856 50 5 BDBARM O=C([O-])c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000211724055 355287749 /nfs/dbraw/zinc/28/77/49/355287749.db2.gz CFRZRLOBWUWNOT-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1SCCO ZINC000035161623 355857638 /nfs/dbraw/zinc/85/76/38/355857638.db2.gz GEBFLDYDAQLPEJ-UHFFFAOYSA-N -1 0 243.240 1.377 50 5 BDBARM COc1cc(C(=O)[O-])c(OC)c([N+](=O)[O-])c1 ZINC000002566093 371584977 /nfs/dbraw/zinc/58/49/77/371584977.db2.gz QCJROOYLFVYZEP-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM O=C([O-])[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000004037094 372122718 /nfs/dbraw/zinc/12/27/18/372122718.db2.gz RQFITJCVQDONTL-MRVPVSSYSA-N -1 0 237.215 1.043 50 5 BDBARM CCOc1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000039099868 372869116 /nfs/dbraw/zinc/86/91/16/372869116.db2.gz GLSREOLUIPGEMD-UHFFFAOYSA-N -1 0 212.161 1.087 50 5 BDBARM O=c1cc([O-])c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000040762409 373696939 /nfs/dbraw/zinc/69/69/39/373696939.db2.gz GGMDSWMTVZEDCD-UHFFFAOYSA-N -1 0 206.157 1.554 50 5 BDBARM O=C([O-])/C=C/c1cc(F)c(F)c([N+](=O)[O-])c1 ZINC000263623124 385009307 /nfs/dbraw/zinc/00/93/07/385009307.db2.gz DVPJSCMSOZBGOV-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM O=Cc1c([O-])ccc(Cl)c1[N+](=O)[O-] ZINC000095935330 388789023 /nfs/dbraw/zinc/78/90/23/388789023.db2.gz JUHUQAKTDQZINI-UHFFFAOYSA-N -1 0 201.565 1.766 50 5 BDBARM Cc1cc(CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC000063110911 411411990 /nfs/dbraw/zinc/41/19/90/411411990.db2.gz LVSYQTSSCMAZMC-UHFFFAOYSA-N -1 0 213.164 1.669 50 5 BDBARM CCOC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000034800308 170296944 /nfs/dbraw/zinc/29/69/44/170296944.db2.gz FBHJNBWUGONVNS-UHFFFAOYSA-N -1 0 211.173 1.477 50 5 BDBARM COc1ccc(OCC(=O)[O-])cc1[N+](=O)[O-] ZINC000040546324 175171694 /nfs/dbraw/zinc/17/16/94/175171694.db2.gz BPVVZMTXRDBQGR-UHFFFAOYSA-N -1 0 227.172 1.067 50 5 BDBARM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)no1 ZINC000000066729 178150532 /nfs/dbraw/zinc/15/05/32/178150532.db2.gz ZVUUDWRAIFMIFP-UHFFFAOYSA-N -1 0 237.171 1.737 50 5 BDBARM Cc1cc(OCC(=O)[O-])cc(C)c1[N+](=O)[O-] ZINC000000346046 178209995 /nfs/dbraw/zinc/20/99/95/178209995.db2.gz QCAHSDRBXHJRNP-UHFFFAOYSA-N -1 0 225.200 1.675 50 5 BDBARM O=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032627523 342856975 /nfs/dbraw/zinc/85/69/75/342856975.db2.gz KZHHALAAVBNCLT-UHFFFAOYSA-N -1 0 233.183 1.479 50 5 BDBARM C[C@H](CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000000345371 344709468 /nfs/dbraw/zinc/70/94/68/344709468.db2.gz USRRVEPWXBCMKZ-SSDOTTSWSA-N -1 0 237.211 1.888 50 5 BDBARM O=C([O-])c1cnc2c(ccc3cccnc32)c1O ZINC000005286251 346181043 /nfs/dbraw/zinc/18/10/43/346181043.db2.gz XZZHOJONZJQARN-UHFFFAOYSA-N -1 0 240.218 1.775 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cc2c[nH]nc21 ZINC000001238573 352564208 /nfs/dbraw/zinc/56/42/08/352564208.db2.gz NQJHZWSGEIJEDP-UHFFFAOYSA-N -1 0 207.145 1.169 50 5 BDBARM O=C([O-])c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000004244818 354651234 /nfs/dbraw/zinc/65/12/34/354651234.db2.gz KOYVJIGBLQRTRF-UHFFFAOYSA-N -1 0 233.183 1.683 50 5 BDBARM O=C([O-])c1cc(Br)ncc1[N+](=O)[O-] ZINC000035269651 356457402 /nfs/dbraw/zinc/45/74/02/356457402.db2.gz YISYYAZCRUHFBZ-UHFFFAOYSA-N -1 0 247.004 1.451 50 5 BDBARM O=C([O-])c1cnc(Cl)c([N+](=O)[O-])c1 ZINC000001597531 356984645 /nfs/dbraw/zinc/98/46/45/356984645.db2.gz HCRHNMXCDNACMH-UHFFFAOYSA-N -1 0 202.553 1.341 50 5 BDBARM Nc1c(C(=O)[O-])cnc2ccc([N+](=O)[O-])cc12 ZINC000026463176 357131969 /nfs/dbraw/zinc/13/19/69/357131969.db2.gz MGJCQIPPSDGTAD-UHFFFAOYSA-N -1 0 233.183 1.423 50 5 BDBARM O=C([O-])c1cc(F)cc(F)c1[N+](=O)[O-] ZINC000002523066 363960064 /nfs/dbraw/zinc/96/00/64/363960064.db2.gz ZBEWIPTYUHHZIS-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM O=C([O-])c1c(F)c(F)c(F)c(F)c1[N+](=O)[O-] ZINC000002389360 370370805 /nfs/dbraw/zinc/37/08/05/370370805.db2.gz JQGBMYKEWLSLCI-UHFFFAOYSA-N -1 0 239.080 1.849 50 5 BDBARM CN(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC000020474682 371284745 /nfs/dbraw/zinc/28/47/45/371284745.db2.gz OQBBVIRVTTVWNR-UHFFFAOYSA-N -1 0 228.179 1.255 50 5 BDBARM CCOc1cc(C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000004207158 372166122 /nfs/dbraw/zinc/16/61/22/372166122.db2.gz HVTHICJFQQKQDW-UHFFFAOYSA-N -1 0 241.199 1.700 50 5 BDBARM COC(=O)Cc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000040545749 373460542 /nfs/dbraw/zinc/46/05/42/373460542.db2.gz ZFFAVWPYHIIMBG-UHFFFAOYSA-N -1 0 241.199 1.025 50 5 BDBARM O=C([O-])c1cc(F)c(F)c([N+](=O)[O-])c1 ZINC000037594078 182556134 /nfs/dbraw/zinc/55/61/34/182556134.db2.gz QEGLWOZIWGKZJI-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM O=C([O-])c1ccc(NCCCO)c([N+](=O)[O-])c1 ZINC000003877941 182569402 /nfs/dbraw/zinc/56/94/02/182569402.db2.gz HXZJEJVVAPWYER-UHFFFAOYSA-N -1 0 240.215 1.087 50 5 BDBARM O=C([O-])Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000001705017 387471999 /nfs/dbraw/zinc/47/19/99/387471999.db2.gz KTHGBTRAQOAOBS-UHFFFAOYSA-N -1 0 215.592 1.875 50 5 BDBARM CCOC(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000035741597 387997945 /nfs/dbraw/zinc/99/79/45/387997945.db2.gz XJVLXEOZJDFGOB-GQCTYLIASA-N -1 0 237.211 1.877 50 5 BDBARM Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003115866 388365202 /nfs/dbraw/zinc/36/52/02/388365202.db2.gz SESSPRSOEAVOMC-UHFFFAOYSA-N -1 0 226.144 1.510 50 5 BDBARM Cc1ccc([C@@H]([NH3+])P(=O)([O-])[O-])cc1[N+](=O)[O-] ZINC000003329306 388373768 /nfs/dbraw/zinc/37/37/68/388373768.db2.gz DQYCDZNZYYPHFZ-QMMMGPOBSA-N -1 0 246.159 1.038 50 5 BDBARM O=C1OCCC1=C([O-])c1ccccc1[N+](=O)[O-] ZINC000019898172 388750811 /nfs/dbraw/zinc/75/08/11/388750811.db2.gz HJJMZFWWAYITCI-MRVPVSSYSA-N -1 0 235.195 1.341 50 5 BDBARM COC(=O)c1cc([O-])c(OC)cc1[N+](=O)[O-] ZINC000013335551 388730991 /nfs/dbraw/zinc/73/09/91/388730991.db2.gz ZKUUVVYMPUDTGJ-UHFFFAOYSA-N -1 0 227.172 1.096 50 5 BDBARM CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000004014057 172388304 /nfs/dbraw/zinc/38/83/04/172388304.db2.gz KBIOQQPPUWKAOK-UHFFFAOYSA-N -1 0 210.189 1.002 50 5 BDBARM Cc1cc(O[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000006271200 178213583 /nfs/dbraw/zinc/21/35/83/178213583.db2.gz WOWVFMALMORJJS-ZETCQYMHSA-N -1 0 225.200 1.755 50 5 BDBARM Cc1cc(=O)n(C(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000004566213 342893532 /nfs/dbraw/zinc/89/35/32/342893532.db2.gz YQAQKJBXBGDVET-UHFFFAOYSA-N -1 0 247.210 1.082 50 5 BDBARM O=C([O-])c1nn(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000096675764 343875293 /nfs/dbraw/zinc/87/52/93/343875293.db2.gz WPICZQRELQNAHP-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM Cc1ccccc1NC(=O)c1nc[n-]c1[N+](=O)[O-] ZINC000005885765 179303330 /nfs/dbraw/zinc/30/33/30/179303330.db2.gz BZTMDIMYULHHDA-UHFFFAOYSA-N -1 0 246.226 1.879 50 5 BDBARM O=C([O-])C(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000725261768 538086758 /nfs/dbraw/zinc/08/67/58/538086758.db2.gz GLFSJMXENLDVMY-UHFFFAOYSA-N -1 0 213.120 1.001 50 5 BDBARM CC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000001621825 187755975 /nfs/dbraw/zinc/75/59/75/187755975.db2.gz OAYHLMVCNPUEPI-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 BDBARM Cc1cc(=O)oc2c1ccc([O-])c2[N+](=O)[O-] ZINC000035189279 355874289 /nfs/dbraw/zinc/87/42/89/355874289.db2.gz BGUBUSIGKOWDPO-UHFFFAOYSA-N -1 0 221.168 1.715 50 5 BDBARM O=C([O-])c1ncc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000675069486 538498146 /nfs/dbraw/zinc/49/81/46/538498146.db2.gz HRADQFHRMKFQQZ-UHFFFAOYSA-N -1 0 245.194 1.750 50 5 BDBARM O=[N+]([O-])c1cc([S@@](=O)[O-])sc1Cl ZINC000125981482 541411960 /nfs/dbraw/zinc/41/19/60/541411960.db2.gz WFXQYTVECVWSIU-UHFFFAOYSA-N -1 0 227.650 1.890 50 5 BDBARM O=C([O-])CCNc1cccc([N+](=O)[O-])c1 ZINC000005571674 182448601 /nfs/dbraw/zinc/44/86/01/182448601.db2.gz IZZCWSDYYODXRI-UHFFFAOYSA-N -1 0 210.189 1.481 50 5 BDBARM O=C([O-])CCOc1cccc([N+](=O)[O-])c1 ZINC000011864753 182449234 /nfs/dbraw/zinc/44/92/34/182449234.db2.gz XNYOLXUXRGLEAH-UHFFFAOYSA-N -1 0 211.173 1.448 50 5 BDBARM O=C([O-])c1ncn(Cc2ccccc2)c1[N+](=O)[O-] ZINC000002539965 182596281 /nfs/dbraw/zinc/59/62/81/182596281.db2.gz AOEZXACMKKLMIY-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM O=c1c2ccc(F)cc2[n-]cc1[N+](=O)[O-] ZINC000016697957 182986521 /nfs/dbraw/zinc/98/65/21/182986521.db2.gz QQCYUTXNUGPTAV-UHFFFAOYSA-N -1 0 208.148 1.575 50 5 BDBARM Cc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-] ZINC000001848457 383939167 /nfs/dbraw/zinc/93/91/67/383939167.db2.gz GJYYWZTYFNSZRP-UHFFFAOYSA-N -1 0 217.202 1.150 50 5 BDBARM CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000004793968 384080679 /nfs/dbraw/zinc/08/06/79/384080679.db2.gz LLCMGMSMWZUFKW-UHFFFAOYSA-N -1 0 238.199 1.642 50 5 BDBARM Cn1c2ccccc2c([O-])c([N+](=O)[O-])c1=O ZINC000100287224 384631115 /nfs/dbraw/zinc/63/11/15/384631115.db2.gz FOHGVXVVXOXMCO-UHFFFAOYSA-N -1 0 220.184 1.152 50 5 BDBARM COC(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000014985558 386031468 /nfs/dbraw/zinc/03/14/68/386031468.db2.gz VULISSQANNKDCH-UHFFFAOYSA-N -1 0 225.156 1.080 50 5 BDBARM O=C([O-])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003864775 386783138 /nfs/dbraw/zinc/78/31/38/386783138.db2.gz TYVJAVSCQNUKPY-UHFFFAOYSA-N -1 0 238.199 1.398 50 5 BDBARM O=C([O-])CSc1ccc([N+](=O)[O-])cn1 ZINC000001680140 387357412 /nfs/dbraw/zinc/35/74/12/387357412.db2.gz YEXBKYAPUIXVRG-UHFFFAOYSA-N -1 0 214.202 1.167 50 5 BDBARM O=C([O-])Cn1ccc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000002567191 388344761 /nfs/dbraw/zinc/34/47/61/388344761.db2.gz ITCBOUXODIHCKC-UHFFFAOYSA-N -1 0 247.210 1.543 50 5 BDBARM O=C([O-])Cc1cc(F)c(F)cc1[N+](=O)[O-] ZINC000038536920 388405071 /nfs/dbraw/zinc/40/50/71/388405071.db2.gz MKRFZKGJZRUCEG-UHFFFAOYSA-N -1 0 217.127 1.500 50 5 BDBARM O=C([O-])Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000019397801 388739359 /nfs/dbraw/zinc/73/93/59/388739359.db2.gz PDPCLJQBZJYUNV-UHFFFAOYSA-N -1 0 221.172 1.029 50 5 BDBARM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCO1 ZINC000155756962 388775263 /nfs/dbraw/zinc/77/52/63/388775263.db2.gz HQZFDECIZYCDFC-UHFFFAOYSA-N -1 0 238.199 1.078 50 5 BDBARM COc1cc(CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000077032307 174977572 /nfs/dbraw/zinc/97/75/72/174977572.db2.gz CWAJOYCYODQOML-UHFFFAOYSA-N -1 0 211.173 1.231 50 5 BDBARM COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=O)[O-] ZINC000004343265 175017614 /nfs/dbraw/zinc/01/76/14/175017614.db2.gz MGQICJSVBWHOSN-UHFFFAOYSA-N -1 0 242.143 1.210 50 5 BDBARM COc1ccc([N+](=O)[O-])cc1/C=C/C(=O)[O-] ZINC000006018500 175201187 /nfs/dbraw/zinc/20/11/87/175201187.db2.gz PTGPYHUXNRRNOM-GORDUTHDSA-N -1 0 223.184 1.701 50 5 BDBARM O=C([O-])c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000004237920 398273275 /nfs/dbraw/zinc/27/32/75/398273275.db2.gz MLTOGNYOQHDCAN-UHFFFAOYSA-N -1 0 207.145 1.169 50 5 BDBARM Cc1[n-]n2c(nc3ccccc3c2=O)c1[N+](=O)[O-] ZINC000110434294 343276942 /nfs/dbraw/zinc/27/69/42/343276942.db2.gz YPHMRFZLWXJBQP-UHFFFAOYSA-N -1 0 244.210 1.392 50 5 BDBARM COc1cc(C(=O)[O-])nc2ccc([N+](=O)[O-])cc21 ZINC000000040247 344062383 /nfs/dbraw/zinc/06/23/83/344062383.db2.gz QXUIWGSCIJUQKI-UHFFFAOYSA-N -1 0 248.194 1.850 50 5 BDBARM Cc1ccc2oc(=O)c([N+](=O)[O-])c([O-])c2c1 ZINC000000058057 344096828 /nfs/dbraw/zinc/09/68/28/344096828.db2.gz KUALEWXMXRPRRL-UHFFFAOYSA-N -1 0 221.168 1.715 50 5 biogenic,in-vitro BDBARM O=C([O-])C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000725261690 538087115 /nfs/dbraw/zinc/08/71/15/538087115.db2.gz CBIYXJMTHPRZEK-UHFFFAOYSA-N -1 0 213.120 1.001 50 5 BDBARM O=C([O-])C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000017111357 363022356 /nfs/dbraw/zinc/02/23/56/363022356.db2.gz SUXYOODICVJISM-UHFFFAOYSA-N -1 0 229.575 1.516 50 5 BDBARM CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000004284655 188456954 /nfs/dbraw/zinc/45/69/54/188456954.db2.gz ZSHFMOUMOUOGKI-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 in-vitro BDBARM CC(C)c1nn(C)c(C(=O)[O-])c1[N+](=O)[O-] ZINC000004294417 372198011 /nfs/dbraw/zinc/19/80/11/372198011.db2.gz XHKULFSSKNIRKB-UHFFFAOYSA-N -1 0 213.193 1.150 50 5 BDBARM O=C([O-])c1cnc(Cl)c([N+](=O)[O-])c1Cl ZINC000040564698 373503557 /nfs/dbraw/zinc/50/35/57/373503557.db2.gz OKCDFXJMQKCBKT-UHFFFAOYSA-N -1 0 236.998 1.995 50 5 BDBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccon1 ZINC000092547647 182350480 /nfs/dbraw/zinc/35/04/80/182350480.db2.gz XZPOKTRBPGBTNK-UHFFFAOYSA-N -1 0 249.182 1.541 50 5 BDBARM O=C([O-])/C=C/c1c(F)cc(F)cc1[N+](=O)[O-] ZINC000263622770 182412180 /nfs/dbraw/zinc/41/21/80/182412180.db2.gz ATVVTPKWMDAGBL-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM O=C([O-])CCNc1ccccc1[N+](=O)[O-] ZINC000005002761 182448097 /nfs/dbraw/zinc/44/80/97/182448097.db2.gz WXDJJDQJGGOPIT-UHFFFAOYSA-N -1 0 210.189 1.481 50 5 BDBARM O=C([O-])CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004108392 182467976 /nfs/dbraw/zinc/46/79/76/182467976.db2.gz JAIXZTSSBNLOQK-UHFFFAOYSA-N -1 0 230.607 1.745 50 5 BDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(-c2ccccc2)[nH]1 ZINC000001748467 182972379 /nfs/dbraw/zinc/97/23/79/182972379.db2.gz WKJBXBYHCDJRRY-UHFFFAOYSA-N -1 0 233.183 1.051 50 5 BDBARM O=C([O-])CSCc1cccc([N+](=O)[O-])c1 ZINC000000434120 384543928 /nfs/dbraw/zinc/54/39/28/384543928.db2.gz ARWBWQQQEPNYEI-UHFFFAOYSA-N -1 0 227.241 1.913 50 5 BDBARM O=C([O-])Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000070569116 384581630 /nfs/dbraw/zinc/58/16/30/384581630.db2.gz NPSQOXKHSLXLLS-UHFFFAOYSA-N -1 0 220.184 1.634 50 5 BDBARM O=Cc1oc2ccc([N+](=O)[O-])cc2c1[O-] ZINC000100715476 384651659 /nfs/dbraw/zinc/65/16/59/384651659.db2.gz YYRJNQWYVQJNOT-UHFFFAOYSA-N -1 0 207.141 1.859 50 5 BDBARM O=C([O-])/C=C/c1cc(F)c([N+](=O)[O-])c(F)c1 ZINC000263623082 385009742 /nfs/dbraw/zinc/00/97/42/385009742.db2.gz DMHLTJAYXVMWMQ-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM COc1cc(F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000095628789 388779399 /nfs/dbraw/zinc/77/93/99/388779399.db2.gz JKBWWRZRHVTZAW-UHFFFAOYSA-N -1 0 215.136 1.441 50 5 BDBARM Cn1nc(C(=O)[O-])c2ccc([N+](=O)[O-])cc21 ZINC000095742612 388785041 /nfs/dbraw/zinc/78/50/41/388785041.db2.gz FHZBBQZHAMFAMH-UHFFFAOYSA-N -1 0 221.172 1.180 50 5 BDBARM O=C([O-])C[C@@H]1CC(=O)c2cccc([N+](=O)[O-])c21 ZINC000096345819 388816245 /nfs/dbraw/zinc/81/62/45/388816245.db2.gz QQTGIEBIXVFMSZ-LURJTMIESA-N -1 0 235.195 1.740 50 5 BDBARM O=C([O-])CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003845787 411185819 /nfs/dbraw/zinc/18/58/19/411185819.db2.gz NJGXPGVYYHJEBT-UHFFFAOYSA-N -1 0 240.171 1.520 50 5 BDBARM COc1cc(OCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000039947473 175012543 /nfs/dbraw/zinc/01/25/43/175012543.db2.gz YOVQHOGVUQNYHO-UHFFFAOYSA-N -1 0 227.172 1.067 50 5 BDBARM Cc1ccc(NC(=O)c2nc[n-]c2[N+](=O)[O-])cc1 ZINC000005800773 178754879 /nfs/dbraw/zinc/75/48/79/178754879.db2.gz WIWFXBMFUPVUOD-UHFFFAOYSA-N -1 0 246.226 1.879 50 5 BDBARM Cn1c2ccccc2c2oc(=O)cc([O-])c2c1=O ZINC000005730929 180610198 /nfs/dbraw/zinc/61/01/98/180610198.db2.gz JLMOERHCVYAGDG-UHFFFAOYSA-N -1 0 243.218 1.351 50 5 biogenic BDBARM NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000004014515 181288789 /nfs/dbraw/zinc/28/87/89/181288789.db2.gz CHLLMUGODQTCJG-UHFFFAOYSA-N -1 0 216.580 1.053 50 5 BDBARM O=c1[n-]nc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000040448113 357059704 /nfs/dbraw/zinc/05/97/04/357059704.db2.gz ZUPQLGZLJYUXGA-UHFFFAOYSA-N -1 0 241.590 1.592 50 5 BDBARM O=C([O-])c1cc2cc([N+](=O)[O-])cnc2s1 ZINC000214875329 368401651 /nfs/dbraw/zinc/40/16/51/368401651.db2.gz NRYMIMWWWBRFJW-UHFFFAOYSA-N -1 0 224.197 1.903 50 5 BDBARM C[C@@H](C(=O)[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000003137060 371883704 /nfs/dbraw/zinc/88/37/04/371883704.db2.gz URBPRESWNDSZNO-HZGVNTEJSA-N -1 0 225.200 1.349 50 5 BDBARM O=C([O-])Cc1cc(F)c(F)c([N+](=O)[O-])c1 ZINC000258231985 182488932 /nfs/dbraw/zinc/48/89/32/182488932.db2.gz QYOSRDTUSAOJBD-UHFFFAOYSA-N -1 0 217.127 1.500 50 5 BDBARM COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000004014514 384037090 /nfs/dbraw/zinc/03/70/90/384037090.db2.gz FIUDEVZDUKTMAC-UHFFFAOYSA-N -1 0 231.591 1.740 50 5 BDBARM CC(C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000059672854 384323352 /nfs/dbraw/zinc/32/33/52/384323352.db2.gz NICZEYWEIXUUKS-UHFFFAOYSA-N -1 0 209.201 1.957 50 5 BDBARM O=C([O-])Cc1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000032616692 384326280 /nfs/dbraw/zinc/32/62/80/384326280.db2.gz LFOYGSMUYMPANW-UHFFFAOYSA-N -1 0 248.198 1.007 50 5 BDBARM O=C([O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000001705019 387472469 /nfs/dbraw/zinc/47/24/69/387472469.db2.gz FLZUSUKBKOZJLG-UHFFFAOYSA-N -1 0 215.592 1.875 50 5 BDBARM CN1C[C@H](C(=O)[O-])Cc2cc([N+](=O)[O-])ccc21 ZINC000009060926 132319137 /nfs/dbraw/zinc/31/91/37/132319137.db2.gz JNZPILYOQKTPQL-MRVPVSSYSA-N -1 0 236.227 1.288 50 5 BDBARM COC(=O)c1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000002167998 173897384 /nfs/dbraw/zinc/89/73/84/173897384.db2.gz DJMQLZPEBHSABD-UHFFFAOYSA-N -1 0 225.156 1.080 50 5 BDBARM C[C@@H](CC(=O)[O-])Oc1ccccc1[N+](=O)[O-] ZINC000000085107 175645286 /nfs/dbraw/zinc/64/52/86/175645286.db2.gz PWCWZTCUWINPMT-ZETCQYMHSA-N -1 0 225.200 1.837 50 5 BDBARM O=[N+]([O-])c1cc([S@@](=O)[O-])ccc1F ZINC000163110032 582630372 /nfs/dbraw/zinc/63/03/72/582630372.db2.gz SUQGHHDSHAJKME-UHFFFAOYSA-N -1 0 205.166 1.315 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1F ZINC000004557326 342889357 /nfs/dbraw/zinc/88/93/57/342889357.db2.gz VJNLENXGKDEAMI-UHFFFAOYSA-N -1 0 230.107 1.340 50 5 BDBARM O=C([O-])c1cc2cc([N+](=O)[O-])c[nH]c-2n1 ZINC000032914868 343244224 /nfs/dbraw/zinc/24/42/24/343244224.db2.gz WYVYATUJBANZIN-UHFFFAOYSA-N -1 0 207.145 1.169 50 5 BDBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccco2)[nH]1 ZINC000033039583 343660341 /nfs/dbraw/zinc/66/03/41/343660341.db2.gz NRNPTNWIHBGAAS-ARJAWSKDSA-N -1 0 249.182 1.147 50 5 BDBARM C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000021951439 343799145 /nfs/dbraw/zinc/79/91/45/343799145.db2.gz IABGQMFXJVXIMY-ZCFIWIBFSA-N -1 0 210.189 1.480 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000001437991 353750233 /nfs/dbraw/zinc/75/02/33/353750233.db2.gz GOCFKHJXPFKGHX-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM CC(=O)Nc1c(C(=O)[O-])cccc1[N+](=O)[O-] ZINC000004336021 188519012 /nfs/dbraw/zinc/51/90/12/188519012.db2.gz YLXNPMSVXYVEHU-UHFFFAOYSA-N -1 0 224.172 1.251 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000036878488 361574643 /nfs/dbraw/zinc/57/46/43/361574643.db2.gz AVKRNLXCZBBZMD-UHFFFAOYSA-N -1 0 225.156 1.064 50 5 BDBARM Cc1c(C(=O)[O-])nnn1-c1ccc([N+](=O)[O-])cc1 ZINC000002387739 370370932 /nfs/dbraw/zinc/37/09/32/370370932.db2.gz ODJVXAACULLVHI-UHFFFAOYSA-N -1 0 248.198 1.182 50 5 BDBARM O=C([O-])c1cc2cccc([N+](=O)[O-])c2oc1=O ZINC000003222758 371922067 /nfs/dbraw/zinc/92/20/67/371922067.db2.gz GZRJTAOIBQPQKZ-UHFFFAOYSA-N -1 0 235.151 1.399 50 5 BDBARM O=C([O-])c1cc(F)c([N+](=O)[O-])c(F)c1 ZINC000040442437 373265765 /nfs/dbraw/zinc/26/57/65/373265765.db2.gz CUDACLYZECMWDR-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM O=C([O-])C[C@H]1CC(=O)c2cccc([N+](=O)[O-])c21 ZINC000096345821 182483978 /nfs/dbraw/zinc/48/39/78/182483978.db2.gz QQTGIEBIXVFMSZ-ZCFIWIBFSA-N -1 0 235.195 1.740 50 5 BDBARM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[O-])c1 ZINC000001680880 182932474 /nfs/dbraw/zinc/93/24/74/182932474.db2.gz GNTARUIZNIWBCN-UHFFFAOYSA-N -1 0 237.620 1.495 50 5 in-vitro BDBARM O=Cc1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000000152714 383832870 /nfs/dbraw/zinc/83/28/70/383832870.db2.gz BESBCGANGAEHPM-UHFFFAOYSA-N -1 0 246.016 1.875 50 5 BDBARM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC1 ZINC000261494411 384333132 /nfs/dbraw/zinc/33/31/32/384333132.db2.gz WXSNOZARNSICCG-UHFFFAOYSA-N -1 0 236.227 1.536 50 5 BDBARM Cc1ccc(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000002526128 388840652 /nfs/dbraw/zinc/84/06/52/388840652.db2.gz QWOCFVIACPYANN-SSDOTTSWSA-N -1 0 225.200 1.755 50 5 BDBARM CCOC(=O)C=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000000133327 170197561 /nfs/dbraw/zinc/19/75/61/170197561.db2.gz DSOJMGUVLXTQSE-UHFFFAOYSA-N -1 0 237.211 1.731 50 5 BDBARM COc1cc(OC)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000035333708 175008268 /nfs/dbraw/zinc/00/82/68/175008268.db2.gz RECRLCHPXXOYHZ-UHFFFAOYSA-N -1 0 227.172 1.310 50 5 BDBARM COc1ccc2[nH]cc(C(=O)[O-])c2c1[N+](=O)[O-] ZINC000096034524 175201779 /nfs/dbraw/zinc/20/17/79/175201779.db2.gz NWLZOVOLNDYNPJ-UHFFFAOYSA-N -1 0 236.183 1.783 50 5 BDBARM C[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000040377462 176723560 /nfs/dbraw/zinc/72/35/60/176723560.db2.gz CWZLOWGUBYYQFV-SSDOTTSWSA-N -1 0 209.201 1.858 50 5 BDBARM COc1cc(Cl)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000002586022 522538499 /nfs/dbraw/zinc/53/84/99/522538499.db2.gz NUKXWIGUCWZDSG-UHFFFAOYSA-N -1 0 231.591 1.955 50 5 BDBARM Cc1cc(=O)oc2cc([O-])c([N+](=O)[O-])cc12 ZINC000036074982 343308209 /nfs/dbraw/zinc/30/82/09/343308209.db2.gz DPLGBPYLXGFDJY-UHFFFAOYSA-N -1 0 221.168 1.715 50 5 BDBARM COC(=O)c1cc(C)c([O-])c([N+](=O)[O-])c1 ZINC000149456163 347131520 /nfs/dbraw/zinc/13/15/20/347131520.db2.gz FLYXWUDPPLRBSD-UHFFFAOYSA-N -1 0 211.173 1.395 50 5 BDBARM O=C([O-])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000725261932 538087772 /nfs/dbraw/zinc/08/77/72/538087772.db2.gz NSYDMSCEUDBTQG-UHFFFAOYSA-N -1 0 213.120 1.001 50 5 BDBARM Cc1nn([C@@H](C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000000809523 180392383 /nfs/dbraw/zinc/39/23/83/180392383.db2.gz CANKNXFHGALOMF-LURJTMIESA-N -1 0 213.193 1.054 50 5 BDBARM Cc1nn(CCCC(=O)[O-])c([N+](=O)[O-])c1Cl ZINC000034928892 180387201 /nfs/dbraw/zinc/38/72/01/180387201.db2.gz XDVITRSDRWVJJT-UHFFFAOYSA-N -1 0 247.638 1.618 50 5 BDBARM O=C([O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000003887756 351425767 /nfs/dbraw/zinc/42/57/67/351425767.db2.gz IKTICLQCJRBVRS-UHFFFAOYSA-N -1 0 222.200 1.867 50 5 BDBARM CC(=O)Oc1c(C)ccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000000032436 188452050 /nfs/dbraw/zinc/45/20/50/188452050.db2.gz WGCAFMYAZVDTPJ-UHFFFAOYSA-N -1 0 239.183 1.527 50 5 BDBARM O=C([O-])c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000008700061 372854689 /nfs/dbraw/zinc/85/46/89/372854689.db2.gz VOICPTATNWDOES-UHFFFAOYSA-N -1 0 233.183 1.683 50 5 BDBARM CC(C)(Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000040354886 373198735 /nfs/dbraw/zinc/19/87/35/373198735.db2.gz OLVSJCXKKXRGLO-UHFFFAOYSA-N -1 0 224.216 1.870 50 5 BDBARM O=C([O-])c1ncc(Br)cc1[N+](=O)[O-] ZINC000040448811 373265444 /nfs/dbraw/zinc/26/54/44/373265444.db2.gz NLHXGZDQNSRWHH-UHFFFAOYSA-N -1 0 247.004 1.451 50 5 in-vitro BDBARM O=C([O-])Cc1cc(F)c([N+](=O)[O-])cc1F ZINC000145705602 182489379 /nfs/dbraw/zinc/48/93/79/182489379.db2.gz TVRVWDBXMJDAKV-UHFFFAOYSA-N -1 0 217.127 1.500 50 5 BDBARM O=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000035333697 182558239 /nfs/dbraw/zinc/55/82/39/182558239.db2.gz AKXGHFHZVBDAQB-UHFFFAOYSA-N -1 0 211.129 1.022 50 5 BDBARM O=c1ccc2nc3ccc([O-])cc3oc-2c1 ZINC000004428361 183001802 /nfs/dbraw/zinc/00/18/02/183001802.db2.gz HSSLDCABUXLXKM-UHFFFAOYSA-N -1 0 213.192 1.998 50 5 in-vitro BDBARM S=c1[n-]nc2nc3[nH]c4ccccc4c3nn12 ZINC000005731712 183316601 /nfs/dbraw/zinc/31/66/01/183316601.db2.gz OQNXOURTVCUVNO-UHFFFAOYSA-N -1 0 242.267 1.443 50 5 BDBARM O=C([O-])CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000240399 383967872 /nfs/dbraw/zinc/96/78/72/383967872.db2.gz IUDLIFNJGGQWBX-UHFFFAOYSA-N -1 0 238.199 1.398 50 5 BDBARM O=C([O-])COCc1ccc([N+](=O)[O-])cc1 ZINC000013509396 398073661 /nfs/dbraw/zinc/07/36/61/398073661.db2.gz AWTUONVPXUICHT-UHFFFAOYSA-N -1 0 211.173 1.196 50 5 BDBARM CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000238314552 172388977 /nfs/dbraw/zinc/38/89/77/172388977.db2.gz BMHPHGHLBLKFBI-UHFFFAOYSA-N -1 0 210.189 1.002 50 5 BDBARM COc1c(Cl)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000020227886 174929677 /nfs/dbraw/zinc/92/96/77/174929677.db2.gz JBNVBQAUVQINSS-UHFFFAOYSA-N -1 0 231.591 1.955 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cnc1Br ZINC000035567201 343297739 /nfs/dbraw/zinc/29/77/39/343297739.db2.gz TZALTHQYRONLQA-UHFFFAOYSA-N -1 0 247.004 1.451 50 5 BDBARM O=C([O-])c1ccc2nc3ccccn3c(=O)c2c1 ZINC000000004454 343409168 /nfs/dbraw/zinc/40/91/68/343409168.db2.gz HMZDSBSMNLBGIW-UHFFFAOYSA-N -1 0 240.218 1.546 50 5 in-man BDBARM Cc1cccnc1[N-]c1ncnc(N)c1[N+](=O)[O-] ZINC000003912733 179395840 /nfs/dbraw/zinc/39/58/40/179395840.db2.gz IXBJEHDWQLJIBW-UHFFFAOYSA-N -1 0 246.230 1.414 50 5 BDBARM Cc1cc([N+](=O)[O-])ccc1C(=O)C(=O)[O-] ZINC000725261818 538087863 /nfs/dbraw/zinc/08/78/63/538087863.db2.gz JBVNUGQGTRSMKL-UHFFFAOYSA-N -1 0 209.157 1.171 50 5 BDBARM O=[N+]([O-])c1ccc(C[P@](=O)([O-])O)cc1 ZINC000002170203 363496544 /nfs/dbraw/zinc/49/65/44/363496544.db2.gz FZNXRFYRXBFQMX-UHFFFAOYSA-N -1 0 217.117 1.273 50 5 BDBARM Cc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)[O-] ZINC000675057725 538480446 /nfs/dbraw/zinc/48/04/46/538480446.db2.gz LTYJETZDWBBTEF-UHFFFAOYSA-N -1 0 238.155 1.849 50 5 BDBARM Cn1nc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000026420213 357097720 /nfs/dbraw/zinc/09/77/20/357097720.db2.gz TUZIYUZNTZLAAE-UHFFFAOYSA-N -1 0 247.210 1.694 50 5 BDBARM COc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1 ZINC000035569387 358000376 /nfs/dbraw/zinc/00/03/76/358000376.db2.gz QBRHCFNZQWZEQM-UHFFFAOYSA-N -1 0 211.173 1.231 50 5 BDBARM Nc1c(Cl)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000062719866 181666770 /nfs/dbraw/zinc/66/67/70/181666770.db2.gz RYHFFQWATLLGPV-UHFFFAOYSA-N -1 0 216.580 1.529 50 5 BDBARM Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000002580845 371602607 /nfs/dbraw/zinc/60/26/07/371602607.db2.gz JLANLQYZMDREKU-UHFFFAOYSA-N -1 0 240.171 1.818 50 5 BDBARM O=C(Nc1ccon1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097097473 182389066 /nfs/dbraw/zinc/38/90/66/182389066.db2.gz WSDBGGDUHIXLPD-UHFFFAOYSA-N -1 0 249.182 1.541 50 5 BDBARM O=C([O-])c1cnc2[nH]cc([N+](=O)[O-])cc1-2 ZINC000044712792 182549840 /nfs/dbraw/zinc/54/98/40/182549840.db2.gz RASQKOVSKRYFCS-UHFFFAOYSA-N -1 0 207.145 1.169 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])cc(F)c1F ZINC000054207614 182559113 /nfs/dbraw/zinc/55/91/13/182559113.db2.gz MURQTOITBVYFMS-UHFFFAOYSA-N -1 0 203.100 1.571 50 5 BDBARM COC(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000098087478 383938719 /nfs/dbraw/zinc/93/87/19/383938719.db2.gz FRVADWZGTAVQNX-UHFFFAOYSA-N -1 0 211.173 1.395 50 5 BDBARM COC(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000014985561 386025462 /nfs/dbraw/zinc/02/54/62/386025462.db2.gz NUULGBPUCNUUQD-UHFFFAOYSA-N -1 0 225.156 1.080 50 5 BDBARM O=C([O-])CCSc1ncccc1[N+](=O)[O-] ZINC000019442396 386471487 /nfs/dbraw/zinc/47/14/87/386471487.db2.gz PVTGTBLGUXJRAU-UHFFFAOYSA-N -1 0 228.229 1.557 50 5 BDBARM O=C([O-])/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000030828557 388376558 /nfs/dbraw/zinc/37/65/58/388376558.db2.gz MZRKEXUFISGDKS-PLNGDYQASA-N -1 0 236.183 1.174 50 5 BDBARM O=C([O-])CSc1c(F)cccc1[N+](=O)[O-] ZINC000081937818 388723036 /nfs/dbraw/zinc/72/30/36/388723036.db2.gz ONSYTFOJBCXYCB-UHFFFAOYSA-N -1 0 231.204 1.911 50 5 BDBARM O=C([O-])/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000013130183 388727977 /nfs/dbraw/zinc/72/79/77/388727977.db2.gz GJAIAEVUUHUHTE-UPHRSURJSA-N -1 0 237.167 1.421 50 5 BDBARM COc1cc([N+](=O)[O-])c(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000004343239 175017513 /nfs/dbraw/zinc/01/75/13/175017513.db2.gz DHLQYRJLNSXMPW-UHFFFAOYSA-N -1 0 242.143 1.210 50 5 BDBARM C[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000021951909 343808593 /nfs/dbraw/zinc/80/85/93/343808593.db2.gz ICWPKCBMLYYZRP-LURJTMIESA-N -1 0 210.189 1.480 50 5 BDBARM Cc1ccc([N+](=O)[O-])cc1C(=O)C(=O)[O-] ZINC000725262029 538087765 /nfs/dbraw/zinc/08/77/65/538087765.db2.gz RYWWBAYXTHXVNI-UHFFFAOYSA-N -1 0 209.157 1.171 50 5 BDBARM O=C([O-])/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004159479 187757027 /nfs/dbraw/zinc/75/70/27/187757027.db2.gz AZVWYXUTXSTOQY-AATRIKPKSA-N -1 0 236.183 1.174 50 5 BDBARM O=[N+]([O-])c1cnccc1[N-]c1cccc[n+]1[O-] ZINC000004086630 352670936 /nfs/dbraw/zinc/67/09/36/352670936.db2.gz OKUFBKSPEIVLGW-UHFFFAOYSA-N -1 0 232.199 1.367 50 5 BDBARM O=[N+]([O-])c1ccc(S(=O)(=O)[O-])cc1Cl ZINC000002170796 363848477 /nfs/dbraw/zinc/84/84/77/363848477.db2.gz CITWEOYYERBMKY-UHFFFAOYSA-N -1 0 237.620 1.495 50 5 BDBARM O=C([O-])c1ccc(OCC(F)F)c([N+](=O)[O-])c1 ZINC000037756037 364584562 /nfs/dbraw/zinc/58/45/62/364584562.db2.gz FCGJOVZTWKATIG-UHFFFAOYSA-N -1 0 247.153 1.937 50 5 BDBARM COC(=O)c1cc(F)c([O-])c([N+](=O)[O-])c1 ZINC000114519007 370570209 /nfs/dbraw/zinc/57/02/09/370570209.db2.gz HDTDTXWOEWTBQV-UHFFFAOYSA-N -1 0 215.136 1.226 50 5 BDBARM Nc1c(C(=O)[O-])cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000000079053 181665758 /nfs/dbraw/zinc/66/57/58/181665758.db2.gz VUYCAWFGQCSWAS-UHFFFAOYSA-N -1 0 248.198 1.061 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c1 ZINC000002944613 371709976 /nfs/dbraw/zinc/70/99/76/371709976.db2.gz DQCNIBCDZAAPPQ-UHFFFAOYSA-N -1 0 230.107 1.340 50 5 BDBARM O=C([O-])/C=C/c1cc(F)c([N+](=O)[O-])cc1F ZINC000263624464 182411536 /nfs/dbraw/zinc/41/15/36/182411536.db2.gz QSSXQNMFMPJFMR-OWOJBTEDSA-N -1 0 229.138 1.971 50 5 BDBARM O=C([O-])CCOc1ccccc1[N+](=O)[O-] ZINC000001671005 182449557 /nfs/dbraw/zinc/44/95/57/182449557.db2.gz AKIYJDFJPJUROC-UHFFFAOYSA-N -1 0 211.173 1.448 50 5 BDBARM O=C([O-])[C@@H]1COc2ccc([N+](=O)[O-])cc21 ZINC000069910406 182517947 /nfs/dbraw/zinc/51/79/47/182517947.db2.gz SSOXGAJFKZQCAD-SSDOTTSWSA-N -1 0 209.157 1.155 50 5 BDBARM Nc1ncnc([N-]c2ccccn2)c1[N+](=O)[O-] ZINC000003912734 385940456 /nfs/dbraw/zinc/94/04/56/385940456.db2.gz JRSCVGBMKGFJEP-UHFFFAOYSA-N -1 0 232.203 1.106 50 5 BDBARM COc1c(C(=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000057339084 386243600 /nfs/dbraw/zinc/24/36/00/386243600.db2.gz KJPNRXSFTKTXSH-UHFFFAOYSA-N -1 0 211.173 1.610 50 5 BDBARM O=C([O-])COc1ccc([N+](=O)[O-])cc1Cl ZINC000001713690 387510210 /nfs/dbraw/zinc/51/02/10/387510210.db2.gz FYZKTYNLLVGHSM-UHFFFAOYSA-N -1 0 231.591 1.712 50 5 BDBARM O=C([O-])/C=C\C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000031343116 388385450 /nfs/dbraw/zinc/38/54/50/388385450.db2.gz LGJRLNBGSCFUBL-WAYWQWQTSA-N -1 0 236.183 1.174 50 5 BDBARM CC(C)[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000019754005 388746671 /nfs/dbraw/zinc/74/66/71/388746671.db2.gz CHQDVCCSZLNKJA-QMMMGPOBSA-N -1 0 239.231 1.511 50 5 BDBARM CC(C)Oc1cc([O-])c(C=O)cc1[N+](=O)[O-] ZINC000050075677 167286277 /nfs/dbraw/zinc/28/62/77/167286277.db2.gz YXLXQOFQVZPJMK-UHFFFAOYSA-N -1 0 225.200 1.900 50 5 BDBARM CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000238257390 170100739 /nfs/dbraw/zinc/10/07/39/170100739.db2.gz HSDRLCWIGMIANC-UHFFFAOYSA-N -1 0 210.189 1.050 50 5 BDBARM COCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000019266277 174367801 /nfs/dbraw/zinc/36/78/01/174367801.db2.gz DDPDFCFYFNARNH-UHFFFAOYSA-N -1 0 241.199 1.318 50 5 BDBARM Cc1cc(O[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000002526129 178213087 /nfs/dbraw/zinc/21/30/87/178213087.db2.gz WOWVFMALMORJJS-SSDOTTSWSA-N -1 0 225.200 1.755 50 5 BDBARM O=C([O-])c1c[nH]nc1-c1cccc([N+](=O)[O-])c1 ZINC000006161194 342774324 /nfs/dbraw/zinc/77/43/24/342774324.db2.gz HIHZVKRTUUSORZ-UHFFFAOYSA-N -1 0 233.183 1.683 50 5 BDBARM COC(=O)c1n[n-]c2cc([N+](=O)[O-])ccc21 ZINC000044184970 344716374 /nfs/dbraw/zinc/71/63/74/344716374.db2.gz BTIPBYPPBACDLK-UHFFFAOYSA-N -1 0 221.172 1.258 50 5 BDBARM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000000373772 229547007 /nfs/dbraw/zinc/54/70/07/229547007.db2.gz RXZUBSJMBVABMA-UHFFFAOYSA-N -1 0 247.210 1.538 50 5 BDBARM O=c1[n-]c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000034431135 346281760 /nfs/dbraw/zinc/28/17/60/346281760.db2.gz CHBZJFQSBBRGKS-UHFFFAOYSA-N -1 0 208.095 1.714 50 5 BDBARM COc1ccc([N+](=O)[O-])cc1[S@@](=O)[O-] ZINC000148483960 537973750 /nfs/dbraw/zinc/97/37/50/537973750.db2.gz CXQJPHJGRGQUFS-UHFFFAOYSA-N -1 0 217.202 1.184 50 5 BDBARM O=c1ccc([N+](=O)[O-])c(C(F)(F)F)[n-]1 ZINC000038530216 362938205 /nfs/dbraw/zinc/93/82/05/362938205.db2.gz UXJCQEGCBKLJAV-UHFFFAOYSA-N -1 0 208.095 1.714 50 5 BDBARM Cc1nn(CCCC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000002492126 180387376 /nfs/dbraw/zinc/38/73/76/180387376.db2.gz OKRDHPPYUAMLIR-UHFFFAOYSA-N -1 0 227.220 1.273 50 5 BDBARM Nc1ccc2[nH]c3nc(=O)[n-]c(=S)c-3nc2c1 ZINC000075253960 356916367 /nfs/dbraw/zinc/91/63/67/356916367.db2.gz CBSBDEJTAFXBJW-UHFFFAOYSA-N -1 0 245.267 1.523 50 5 BDBARM COc1c(O)ccc(/C=C/[N+](=O)[O-])c1[N+](=O)[O-] ZINC000001680729 357133249 /nfs/dbraw/zinc/13/32/49/357133249.db2.gz ZAUXRJBGUWQKHU-SNAWJCMRSA-N -1 0 240.171 1.556 50 5 BDBARM O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1Cl ZINC000001688383 357134077 /nfs/dbraw/zinc/13/40/77/357134077.db2.gz RPKWNMFDAOACCX-UHFFFAOYSA-N -1 0 237.620 1.495 50 5 BDBARM COc1c(C)ccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000040448379 373265598 /nfs/dbraw/zinc/26/55/98/373265598.db2.gz PJEQOQBIFDMSON-UHFFFAOYSA-N -1 0 211.173 1.610 50 5 BDBARM O=[N+]([O-])c1ccc2c(c1[O-])CCC[C@@H]2O ZINC000071773379 384672511 /nfs/dbraw/zinc/67/25/11/384672511.db2.gz USELYHOTSBMMNB-VIFPVBQESA-N -1 0 209.201 1.670 50 5 BDBARM COc1ccc([N+](=O)[O-])c(Cl)c1C(=O)[O-] ZINC000536955512 384803101 /nfs/dbraw/zinc/80/31/01/384803101.db2.gz WXOOMRDHEOTNCX-UHFFFAOYSA-N -1 0 231.591 1.955 50 5 BDBARM O=c1cc(C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000095093381 384810133 /nfs/dbraw/zinc/81/01/33/384810133.db2.gz VVKVNBMMOVZQRX-UHFFFAOYSA-N -1 0 208.095 1.714 50 5 BDBARM O=C([O-])Cc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000263624861 385008709 /nfs/dbraw/zinc/00/87/09/385008709.db2.gz UTXSTHWOIIXBBT-UHFFFAOYSA-N -1 0 217.127 1.500 50 5 BDBARM CC(C)(C)Nc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000253512439 385681529 /nfs/dbraw/zinc/68/15/29/385681529.db2.gz FOPSDZYLAUNYRY-UHFFFAOYSA-N -1 0 228.208 1.006 50 5 BDBARM O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000003884309 385837237 /nfs/dbraw/zinc/83/72/37/385837237.db2.gz RQSZZLSHECUEDX-UHFFFAOYSA-N -1 0 236.227 1.893 50 5 BDBARM O=[N+]([O-])c1cc(Br)c([O-])c(CO)c1 ZINC000004050525 386693379 /nfs/dbraw/zinc/69/33/79/386693379.db2.gz QHCPKYKJLPTBGA-UHFFFAOYSA-N -1 0 248.032 1.555 50 5 BDBARM CCOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000001640294 387230927 /nfs/dbraw/zinc/23/09/27/387230927.db2.gz DSABESMCWFGGNQ-UHFFFAOYSA-N -1 0 242.187 1.745 50 5 BDBARM O=[N+]([O-])c1cc(C2OCCCO2)ccc1[O-] ZINC000035812668 387914754 /nfs/dbraw/zinc/91/47/54/387914754.db2.gz BTPRJICVNPYLTP-UHFFFAOYSA-N -1 0 225.200 1.736 50 5 BDBARM CC(=O)c1cc([N+](=O)[O-])c([O-])c(C)c1O ZINC000003080698 388363497 /nfs/dbraw/zinc/36/34/97/388363497.db2.gz PIYDSCSXFORFEA-UHFFFAOYSA-N -1 0 211.173 1.517 50 5 BDBARM COC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000004237828 388396186 /nfs/dbraw/zinc/39/61/86/388396186.db2.gz XYESWWUBKWDGNI-UHFFFAOYSA-N -1 0 220.184 1.863 50 5 BDBARM CC(C)(Sc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000012336467 388716894 /nfs/dbraw/zinc/71/68/94/388716894.db2.gz YIJGBDWXQDHCAC-UHFFFAOYSA-N -1 0 242.256 1.945 50 5 BDBARM CCOC(=O)CCc1ccc([O-])c([N+](=O)[O-])c1 ZINC000036532727 170211875 /nfs/dbraw/zinc/21/18/75/170211875.db2.gz MBGHJGVNPBUZSI-UHFFFAOYSA-N -1 0 239.227 1.796 50 5 BDBARM CCn1c2ccccc2c([O-])c([N+](=O)[O-])c1=O ZINC000100152397 172132035 /nfs/dbraw/zinc/13/20/35/172132035.db2.gz RKZDBJLZURXMRV-UHFFFAOYSA-N -1 0 234.211 1.635 50 5 BDBARM