smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC001168959674 969309866 /nfs/dbraw/zinc/30/98/66/969309866.db2.gz XVIJBGHUSXBGFO-VXGBXAGGSA-N 2 2 241.335 1.117 20 5 BDBDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC[N+](=O)[O-] ZINC001336732584 977891228 /nfs/dbraw/zinc/89/12/28/977891228.db2.gz GLNHLZMBFYBMTB-SNVBAGLBSA-N 2 2 240.307 1.164 20 5 BDBDLP Cc1c([C@H](C)[NH2+]C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591580647 347677530 /nfs/dbraw/zinc/67/75/30/347677530.db2.gz DPHAHVJMJKYOAZ-WPRPVWTQSA-N 2 2 237.303 1.901 20 5 BDBDLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420391909 192236775 /nfs/dbraw/zinc/23/67/75/192236775.db2.gz BGVKPKOOEVHWFX-SKDRFNHKSA-N 2 2 237.303 1.983 20 5 BDBDLP C[N@H+](CCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000133214974 372006125 /nfs/dbraw/zinc/00/61/25/372006125.db2.gz FOSZBCSBHYIGLK-UHFFFAOYSA-N 2 2 223.276 1.375 20 5 BDBDLP C[N@@H+](CCC[NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000133214974 372006129 /nfs/dbraw/zinc/00/61/29/372006129.db2.gz FOSZBCSBHYIGLK-UHFFFAOYSA-N 2 2 223.276 1.375 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000423011356 384493481 /nfs/dbraw/zinc/49/34/81/384493481.db2.gz AXKZJOGBVYSTDI-ZJUUUORDSA-N 2 2 249.314 1.853 20 5 BDBDLP C[NH+](C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020054119 387490804 /nfs/dbraw/zinc/49/08/04/387490804.db2.gz BUENGHWNRZLXIA-UHFFFAOYSA-N 2 2 237.303 1.636 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414977745 387627318 /nfs/dbraw/zinc/62/73/18/387627318.db2.gz KTGLDFZHQDJJJK-JTQLQIEISA-N 2 2 223.276 1.422 20 5 BDBDLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422948941 388686853 /nfs/dbraw/zinc/68/68/53/388686853.db2.gz SIGOSCPJKCTEQO-QWRGUYRKSA-N 2 2 235.287 1.564 20 5 BDBDLP [NH3+]CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423176376 388688534 /nfs/dbraw/zinc/68/85/34/388688534.db2.gz BXLUNQVZRRWGFL-GFCCVEGCSA-N 2 2 235.287 1.521 20 5 BDBDLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423314164 388691361 /nfs/dbraw/zinc/69/13/61/388691361.db2.gz GRXMENKDCNIPLY-TVQRCGJNSA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000261578902 135219867 /nfs/dbraw/zinc/21/98/67/135219867.db2.gz LZOIZHQTPIZHAU-DTWKUNHWSA-N 2 2 223.276 1.420 20 5 BDBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841061298 587941406 /nfs/dbraw/zinc/94/14/06/587941406.db2.gz XDAPVDMYMWHNRI-SSDOTTSWSA-N 2 2 243.694 1.685 20 5 BDBDLP O=[N+]([O-])CC[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000905203791 637696418 /nfs/dbraw/zinc/69/64/18/637696418.db2.gz XOVCTVHDBRSDSQ-UHFFFAOYSA-N 2 2 246.270 1.239 20 5 BDBDLP C[NH2+][C@H](C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001326077101 989365986 /nfs/dbraw/zinc/36/59/86/989365986.db2.gz VGORZUYEWLWCOO-MRVPVSSYSA-N 2 2 243.332 1.744 20 5 BDBDLP C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591581503 347678677 /nfs/dbraw/zinc/67/86/77/347678677.db2.gz ZFRVFDYOWDPSIJ-RNCFNFMXSA-N 2 2 249.314 1.909 20 5 BDBDLP CC1([NH3+])CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000592431629 347778711 /nfs/dbraw/zinc/77/87/11/347778711.db2.gz RJGXQKWHMCQMNW-UHFFFAOYSA-N 2 2 249.314 1.908 20 5 BDBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000592430685 347785837 /nfs/dbraw/zinc/78/58/37/347785837.db2.gz ANOXJCGGGYXHJD-UHFFFAOYSA-N 2 2 237.303 1.764 20 5 BDBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)[NH3+] ZINC000592430685 347785840 /nfs/dbraw/zinc/78/58/40/347785840.db2.gz ANOXJCGGGYXHJD-UHFFFAOYSA-N 2 2 237.303 1.764 20 5 BDBDLP [NH3+]C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000342138636 181332748 /nfs/dbraw/zinc/33/27/48/181332748.db2.gz SAQBEGFTTCQFAH-UHFFFAOYSA-N 2 2 235.287 1.566 20 5 BDBDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235516246 384426047 /nfs/dbraw/zinc/42/60/47/384426047.db2.gz UKXSQOKUWBAEII-CMPLNLGQSA-N 2 2 249.314 1.997 20 5 BDBDLP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH2+]CC2)cs1 ZINC000414784382 387028930 /nfs/dbraw/zinc/02/89/30/387028930.db2.gz HXFTVURRGZYKRU-UHFFFAOYSA-N 2 2 241.316 1.498 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414804834 387131266 /nfs/dbraw/zinc/13/12/66/387131266.db2.gz PCXLFASGAYRJOU-ZDUSSCGKSA-N 2 2 249.314 1.730 20 5 BDBDLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423319278 387159789 /nfs/dbraw/zinc/15/97/89/387159789.db2.gz DYXDMJBXWCLASM-BXKDBHETSA-N 2 2 237.303 1.983 20 5 BDBDLP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347089590 387349610 /nfs/dbraw/zinc/34/96/10/387349610.db2.gz FFJMFHNQQODFRF-JTQLQIEISA-N 2 2 237.303 1.682 20 5 BDBDLP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347089590 387349615 /nfs/dbraw/zinc/34/96/15/387349615.db2.gz FFJMFHNQQODFRF-JTQLQIEISA-N 2 2 237.303 1.682 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000347111424 387450784 /nfs/dbraw/zinc/45/07/84/387450784.db2.gz QFXOZTDOCPARFK-ZDUSSCGKSA-N 2 2 249.314 1.826 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000347111424 387450786 /nfs/dbraw/zinc/45/07/86/387450786.db2.gz QFXOZTDOCPARFK-ZDUSSCGKSA-N 2 2 249.314 1.826 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415066549 387691505 /nfs/dbraw/zinc/69/15/05/387691505.db2.gz JGQRIBWTECHMEU-GFCCVEGCSA-N 2 2 249.314 1.827 20 5 BDBDLP C[C@](C[NH3+])([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000430565057 388728077 /nfs/dbraw/zinc/72/80/77/388728077.db2.gz DRKUPYNAVZCMPJ-CYBMUJFWSA-N 2 2 249.314 1.812 20 5 BDBDLP C[C@@](C[NH3+])([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000430565058 388728570 /nfs/dbraw/zinc/72/85/70/388728570.db2.gz DRKUPYNAVZCMPJ-ZDUSSCGKSA-N 2 2 249.314 1.812 20 5 BDBDLP [NH3+]CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414668640 323151159 /nfs/dbraw/zinc/15/11/59/323151159.db2.gz ALYHDQGWQVKDMT-UHFFFAOYSA-N 2 2 249.314 1.908 20 5 BDBDLP [NH3+]CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414668640 323151160 /nfs/dbraw/zinc/15/11/60/323151160.db2.gz ALYHDQGWQVKDMT-UHFFFAOYSA-N 2 2 249.314 1.908 20 5 BDBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000400550465 533925313 /nfs/dbraw/zinc/92/53/13/533925313.db2.gz XHXHWXMMNHXWHX-GWCFXTLKSA-N 2 2 249.314 1.825 20 5 BDBDLP C[NH2+]C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261579294 536440368 /nfs/dbraw/zinc/44/03/68/536440368.db2.gz PKTVAIRBYWJERM-UHFFFAOYSA-N 2 2 249.314 1.779 20 5 BDBDLP C[C@@H]([NH3+])C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000863653836 589308025 /nfs/dbraw/zinc/30/80/25/589308025.db2.gz QOIIRHMWXQFKND-JPVGGKMYSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@@H]([NH3+])C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000863653836 589308027 /nfs/dbraw/zinc/30/80/27/589308027.db2.gz QOIIRHMWXQFKND-JPVGGKMYSA-N 2 2 249.314 1.887 20 5 BDBDLP CCCC[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905106198 637613159 /nfs/dbraw/zinc/61/31/59/637613159.db2.gz NUQGMSPSANHHET-UHFFFAOYSA-N 2 2 229.324 1.117 20 5 BDBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000905156876 637638377 /nfs/dbraw/zinc/63/83/77/637638377.db2.gz WLYRLFCUIQXAOI-UHFFFAOYSA-N 2 2 241.335 1.260 20 5 BDBDLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168955424 969303527 /nfs/dbraw/zinc/30/35/27/969303527.db2.gz AKZFWRSEEDYBTJ-NWDGAFQWSA-N 2 2 243.351 1.363 20 5 BDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967166 969321796 /nfs/dbraw/zinc/32/17/96/969321796.db2.gz NUGBVICSUYFHQT-WOPDTQHZSA-N 2 2 241.335 1.116 20 5 BDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967166 969321798 /nfs/dbraw/zinc/32/17/98/969321798.db2.gz NUGBVICSUYFHQT-WOPDTQHZSA-N 2 2 241.335 1.116 20 5 BDBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124553034 371197848 /nfs/dbraw/zinc/19/78/48/371197848.db2.gz IYSIGZXWVRWSCF-CMPLNLGQSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124553034 371197852 /nfs/dbraw/zinc/19/78/52/371197852.db2.gz IYSIGZXWVRWSCF-CMPLNLGQSA-N 2 2 249.314 1.906 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600684185 371695371 /nfs/dbraw/zinc/69/53/71/371695371.db2.gz YZSNLYGLZKCRAW-GXFFZTMASA-N 2 2 249.314 1.743 20 5 BDBDLP C[NH2+]CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423247801 384525232 /nfs/dbraw/zinc/52/52/32/384525232.db2.gz PUYSMPWRMFWQRO-CYBMUJFWSA-N 2 2 249.314 1.781 20 5 BDBDLP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423372643 384552286 /nfs/dbraw/zinc/55/22/86/384552286.db2.gz RIMHCEPQQXZFKK-UWVGGRQHSA-N 2 2 237.303 1.901 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414870026 385845168 /nfs/dbraw/zinc/84/51/68/385845168.db2.gz RYMIEPTYTPFHRL-GFCCVEGCSA-N 2 2 249.314 1.745 20 5 BDBDLP COc1ccc(C[NH2+][C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414932736 386780021 /nfs/dbraw/zinc/78/00/21/386780021.db2.gz SBSAAVXYADAVRZ-MRVPVSSYSA-N 2 2 239.275 1.040 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000347151095 387516507 /nfs/dbraw/zinc/51/65/07/387516507.db2.gz ZIXZLBJCNDQXDY-SNVBAGLBSA-N 2 2 237.303 1.682 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000347151095 387516511 /nfs/dbraw/zinc/51/65/11/387516511.db2.gz ZIXZLBJCNDQXDY-SNVBAGLBSA-N 2 2 237.303 1.682 20 5 BDBDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423182264 388687815 /nfs/dbraw/zinc/68/78/15/388687815.db2.gz GPOHWSUXLYWEDT-CMPLNLGQSA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423450202 388692857 /nfs/dbraw/zinc/69/28/57/388692857.db2.gz SQUFZBXVPMJACC-UTLUCORTSA-N 2 2 237.303 1.981 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423400890 388693198 /nfs/dbraw/zinc/69/31/98/388693198.db2.gz QLWNYVFQJUZHJO-TVQRCGJNSA-N 2 2 249.314 1.909 20 5 BDBDLP C[NH2+]CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903881711 584817874 /nfs/dbraw/zinc/81/78/74/584817874.db2.gz GOMHXKVBKNDTAK-UHFFFAOYSA-N 2 2 249.314 1.562 20 5 BDBDLP C[NH2+]CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903881711 584817875 /nfs/dbraw/zinc/81/78/75/584817875.db2.gz GOMHXKVBKNDTAK-UHFFFAOYSA-N 2 2 249.314 1.562 20 5 BDBDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971330 586859102 /nfs/dbraw/zinc/85/91/02/586859102.db2.gz CJRNIXGCQDNBJN-HTQZYQBOSA-N 2 2 238.291 1.175 20 5 BDBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000904448607 637414264 /nfs/dbraw/zinc/41/42/64/637414264.db2.gz AJUXVQNCSSSJAR-UHFFFAOYSA-N 2 2 221.260 1.176 20 5 BDBDLP C[C@H](CC[NH2+]CC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000905208766 637697795 /nfs/dbraw/zinc/69/77/95/637697795.db2.gz NAONFODRVRCLBP-LLVKDONJSA-N 2 2 229.324 1.117 20 5 BDBDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CC[N+](=O)[O-] ZINC001336732583 977891188 /nfs/dbraw/zinc/89/11/88/977891188.db2.gz GLNHLZMBFYBMTB-JTQLQIEISA-N 2 2 240.307 1.164 20 5 BDBDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000043327198 343051244 /nfs/dbraw/zinc/05/12/44/343051244.db2.gz ONXLDCQVQYDUAP-ZYHUDNBSSA-N 2 2 249.314 1.997 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107578974 345589464 /nfs/dbraw/zinc/58/94/64/345589464.db2.gz BQBPJBZVIHMZBX-VXGBXAGGSA-N 2 2 247.298 1.246 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000236418820 346238503 /nfs/dbraw/zinc/23/85/03/346238503.db2.gz TZBBTCJUHSHGRG-GFCCVEGCSA-N 2 2 249.314 1.827 20 5 BDBDLP Cc1c([C@@H](C)[NH2+]C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591580646 347677707 /nfs/dbraw/zinc/67/77/07/347677707.db2.gz DPHAHVJMJKYOAZ-WCBMZHEXSA-N 2 2 237.303 1.901 20 5 BDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420409758 192239715 /nfs/dbraw/zinc/23/97/15/192239715.db2.gz QTFTUBUJRDOPOO-ZJUUUORDSA-N 2 2 237.303 1.901 20 5 BDBDLP Cc1ccc(C[NH+]2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000346629042 357118676 /nfs/dbraw/zinc/11/86/76/357118676.db2.gz BKRCFNAYEFAGBD-UHFFFAOYSA-N 2 2 249.314 1.826 20 5 BDBDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600714929 371698953 /nfs/dbraw/zinc/69/89/53/371698953.db2.gz VOUTXSGIDMCPPJ-OUJBWJOFSA-N 2 2 249.314 1.996 20 5 BDBDLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423328056 384537340 /nfs/dbraw/zinc/53/73/40/384537340.db2.gz RWVMGNPONQGFQO-ZANVPECISA-N 2 2 249.314 1.983 20 5 BDBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414796221 386566568 /nfs/dbraw/zinc/56/65/68/386566568.db2.gz NXMRJCJHEUORRL-LBPRGKRZSA-N 2 2 237.303 1.668 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C[NH3+] ZINC000414931817 386768753 /nfs/dbraw/zinc/76/87/53/386768753.db2.gz QXSCJAFKWYMTHB-SECBINFHSA-N 2 2 223.276 1.340 20 5 BDBDLP CC(C)([NH3+])C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414799720 387068908 /nfs/dbraw/zinc/06/89/08/387068908.db2.gz GUXBZPBERCTAJN-UHFFFAOYSA-N 2 2 229.305 1.483 20 5 BDBDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000347151242 387516630 /nfs/dbraw/zinc/51/66/30/387516630.db2.gz ZRSLJKGGCPLYCL-SECBINFHSA-N 2 2 223.276 1.374 20 5 BDBDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000347151242 387516636 /nfs/dbraw/zinc/51/66/36/387516636.db2.gz ZRSLJKGGCPLYCL-SECBINFHSA-N 2 2 223.276 1.374 20 5 BDBDLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422839541 388686698 /nfs/dbraw/zinc/68/66/98/388686698.db2.gz QMFJUPKNJODENC-WCQYABFASA-N 2 2 249.314 1.997 20 5 BDBDLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423235735 388689856 /nfs/dbraw/zinc/68/98/56/388689856.db2.gz BABZSWLZLAKAKO-JTQLQIEISA-N 2 2 237.303 1.855 20 5 BDBDLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423431185 388693105 /nfs/dbraw/zinc/69/31/05/388693105.db2.gz LNRAEGVSHAILGW-HWNAMQAFSA-N 2 2 247.298 1.463 20 5 BDBDLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261553021 135191654 /nfs/dbraw/zinc/19/16/54/135191654.db2.gz NPVHWOZIRLKRBA-GUBZILKMSA-N 2 2 237.303 1.981 20 5 BDBDLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261546757 135239292 /nfs/dbraw/zinc/23/92/92/135239292.db2.gz HFWQUYJGJMXSHP-SECBINFHSA-N 2 2 237.303 1.983 20 5 BDBDLP C[NH2+]C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000261574244 536440115 /nfs/dbraw/zinc/44/01/15/536440115.db2.gz MPUHIWURBZYTHJ-UHFFFAOYSA-N 2 2 249.314 1.779 20 5 BDBDLP C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000791055811 585973573 /nfs/dbraw/zinc/97/35/73/585973573.db2.gz YVDPIBJRKVYIKB-MNOVXSKESA-N 2 2 238.291 1.043 20 5 BDBDLP C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000791055811 585973574 /nfs/dbraw/zinc/97/35/74/585973574.db2.gz YVDPIBJRKVYIKB-MNOVXSKESA-N 2 2 238.291 1.043 20 5 BDBDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953230 586848768 /nfs/dbraw/zinc/84/87/68/586848768.db2.gz XRDLRSFOQMKREQ-QMMMGPOBSA-N 2 2 238.291 1.047 20 5 BDBDLP Cc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1[N+](=O)[O-] ZINC000037712673 712744643 /nfs/dbraw/zinc/74/46/43/712744643.db2.gz ARIQXSBWROQQNO-SECBINFHSA-N 2 2 223.276 1.513 20 5 BDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967163 969320201 /nfs/dbraw/zinc/32/02/01/969320201.db2.gz NUGBVICSUYFHQT-SRVKXCTJSA-N 2 2 241.335 1.116 20 5 BDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967163 969320197 /nfs/dbraw/zinc/32/01/97/969320197.db2.gz NUGBVICSUYFHQT-SRVKXCTJSA-N 2 2 241.335 1.116 20 5 BDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001173213184 975077295 /nfs/dbraw/zinc/07/72/95/975077295.db2.gz GDNMKSGFIOORDW-CMPLNLGQSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001173213184 975077299 /nfs/dbraw/zinc/07/72/99/975077299.db2.gz GDNMKSGFIOORDW-CMPLNLGQSA-N 2 2 249.314 1.559 20 5 BDBDLP C[NH+]1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000037248581 361777207 /nfs/dbraw/zinc/77/72/07/361777207.db2.gz HWHHMVLTGSGULY-UHFFFAOYSA-N 2 2 249.314 1.779 20 5 BDBDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235459343 259343984 /nfs/dbraw/zinc/34/39/84/259343984.db2.gz BNCNDUCLHWYKMW-BDAKNGLRSA-N 2 2 223.276 1.593 20 5 BDBDLP C[NH2+]CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414857300 191601756 /nfs/dbraw/zinc/60/17/56/191601756.db2.gz CNYLMGUDKMCSLQ-UHFFFAOYSA-N 2 2 229.305 1.355 20 5 BDBDLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423011353 384494471 /nfs/dbraw/zinc/49/44/71/384494471.db2.gz AXKZJOGBVYSTDI-UWVGGRQHSA-N 2 2 249.314 1.853 20 5 BDBDLP [NH3+][C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414897282 386214404 /nfs/dbraw/zinc/21/44/04/386214404.db2.gz QZSDXEZBVTWGDM-LBPRGKRZSA-N 2 2 235.287 1.422 20 5 BDBDLP [NH3+]C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000414797185 387070632 /nfs/dbraw/zinc/07/06/32/387070632.db2.gz IESMQKSWIPCXRS-VIFPVBQESA-N 2 2 241.316 1.483 20 5 BDBDLP CCC[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414878651 387581614 /nfs/dbraw/zinc/58/16/14/387581614.db2.gz HRHMIXNHPPOTRV-UHFFFAOYSA-N 2 2 237.303 1.684 20 5 BDBDLP [NH3+][C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414902535 387601301 /nfs/dbraw/zinc/60/13/01/387601301.db2.gz YOQGDUDSXBAUAY-LLVKDONJSA-N 2 2 235.287 1.422 20 5 BDBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414922774 387606896 /nfs/dbraw/zinc/60/68/96/387606896.db2.gz GMRVULNVPWAWEE-ZWNOBZJWSA-N 2 2 249.314 1.682 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414935058 387614549 /nfs/dbraw/zinc/61/45/49/387614549.db2.gz BYBPDUWCMIWPCK-LURJTMIESA-N 2 2 215.278 1.093 20 5 BDBDLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414967609 387623205 /nfs/dbraw/zinc/62/32/05/387623205.db2.gz XVDFVDIWXIDRSR-SNVBAGLBSA-N 2 2 237.303 1.682 20 5 BDBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000415018683 387663180 /nfs/dbraw/zinc/66/31/80/387663180.db2.gz QYRVVHSHDHTIQC-YUMQZZPRSA-N 2 2 241.266 1.559 20 5 BDBDLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422948934 388686317 /nfs/dbraw/zinc/68/63/17/388686317.db2.gz SGQRIMNAZKBFNO-VXGBXAGGSA-N 2 2 235.287 1.564 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423481465 388692243 /nfs/dbraw/zinc/69/22/43/388692243.db2.gz WSTLMWSCMKKGTP-ONGXEEELSA-N 2 2 237.303 1.983 20 5 BDBDLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000423433739 388692507 /nfs/dbraw/zinc/69/25/07/388692507.db2.gz NLKKXYILELAHDW-KMLBCRHOSA-N 2 2 247.298 1.463 20 5 BDBDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971331 586859146 /nfs/dbraw/zinc/85/91/46/586859146.db2.gz CJRNIXGCQDNBJN-JGVFFNPUSA-N 2 2 238.291 1.175 20 5 BDBDLP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873251095 590008369 /nfs/dbraw/zinc/00/83/69/590008369.db2.gz IXMNQWRAECFAMI-RYUDHWBXSA-N 2 2 249.314 1.873 20 5 BDBDLP [NH3+]C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000904448773 637415113 /nfs/dbraw/zinc/41/51/13/637415113.db2.gz CHLQMKZKPCEEGB-UHFFFAOYSA-N 2 2 221.260 1.176 20 5 BDBDLP [NH3+]C1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000906511236 638183505 /nfs/dbraw/zinc/18/35/05/638183505.db2.gz ZWSAQETYZHLTLH-UHFFFAOYSA-N 2 2 239.250 1.313 20 5 BDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967162 969321731 /nfs/dbraw/zinc/32/17/31/969321731.db2.gz NUGBVICSUYFHQT-SDDRHHMPSA-N 2 2 241.335 1.116 20 5 BDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967162 969321735 /nfs/dbraw/zinc/32/17/35/969321735.db2.gz NUGBVICSUYFHQT-SDDRHHMPSA-N 2 2 241.335 1.116 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000236408284 346236717 /nfs/dbraw/zinc/23/67/17/346236717.db2.gz GYDNDVWRKYAYNB-GFCCVEGCSA-N 2 2 249.314 1.827 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000596107103 348441168 /nfs/dbraw/zinc/44/11/68/348441168.db2.gz QODQPOWCKKDWHC-VIFPVBQESA-N 2 2 223.276 1.292 20 5 BDBDLP Cc1c(C[N@@H+]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000123449711 188046216 /nfs/dbraw/zinc/04/62/16/188046216.db2.gz NMDQDUDBQFZNJP-LBPRGKRZSA-N 2 2 249.314 1.826 20 5 BDBDLP Cc1c(C[N@H+]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000123449711 188046218 /nfs/dbraw/zinc/04/62/18/188046218.db2.gz NMDQDUDBQFZNJP-LBPRGKRZSA-N 2 2 249.314 1.826 20 5 BDBDLP C[C@@H]([NH3+])C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420365905 192223233 /nfs/dbraw/zinc/22/32/33/192223233.db2.gz SYVFEJMNBGXXNR-SNVBAGLBSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420365905 192223235 /nfs/dbraw/zinc/22/32/35/192223235.db2.gz SYVFEJMNBGXXNR-SNVBAGLBSA-N 2 2 249.314 1.906 20 5 BDBDLP [NH3+]C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000342140823 181332181 /nfs/dbraw/zinc/33/21/81/181332181.db2.gz QWBRADQUNZUOCQ-UHFFFAOYSA-N 2 2 235.287 1.566 20 5 BDBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000600679023 371694889 /nfs/dbraw/zinc/69/48/89/371694889.db2.gz YAAKJNIITOJLFL-QWHCGFSZSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235189639 384231130 /nfs/dbraw/zinc/23/11/30/384231130.db2.gz UKXSQOKUWBAEII-PWSUYJOCSA-N 2 2 249.314 1.997 20 5 BDBDLP C[NH2+]CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423247802 384525925 /nfs/dbraw/zinc/52/59/25/384525925.db2.gz PUYSMPWRMFWQRO-ZDUSSCGKSA-N 2 2 249.314 1.781 20 5 BDBDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000396633929 385714514 /nfs/dbraw/zinc/71/45/14/385714514.db2.gz JSXOVQGLPHBIOX-GXFFZTMASA-N 2 2 249.314 1.825 20 5 BDBDLP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414884910 386045758 /nfs/dbraw/zinc/04/57/58/386045758.db2.gz OIQFOHJXTGXWGJ-UHFFFAOYSA-N 2 2 249.314 1.874 20 5 BDBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414804755 386607626 /nfs/dbraw/zinc/60/76/26/386607626.db2.gz XUFIZJYJDNBCRV-VIFPVBQESA-N 2 2 243.332 1.729 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415013156 387664382 /nfs/dbraw/zinc/66/43/82/387664382.db2.gz KJQTYLOROBKQAR-ZJUUUORDSA-N 2 2 237.303 1.729 20 5 BDBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000415015408 387664763 /nfs/dbraw/zinc/66/47/63/387664763.db2.gz YRWRVGDPHUOHKO-BQBZGAKWSA-N 2 2 229.305 1.482 20 5 BDBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000415104616 387706835 /nfs/dbraw/zinc/70/68/35/387706835.db2.gz HFGMEULWPAHCPZ-XQRVVYSFSA-N 2 2 235.287 1.499 20 5 BDBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000415104616 387706840 /nfs/dbraw/zinc/70/68/40/387706840.db2.gz HFGMEULWPAHCPZ-XQRVVYSFSA-N 2 2 235.287 1.499 20 5 BDBDLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423359993 388691392 /nfs/dbraw/zinc/69/13/92/388691392.db2.gz DYXDMJBXWCLASM-CABZTGNLSA-N 2 2 237.303 1.983 20 5 BDBDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423333210 388691544 /nfs/dbraw/zinc/69/15/44/388691544.db2.gz RERYEQVOXZTGEM-RKDXNWHRSA-N 2 2 223.276 1.593 20 5 BDBDLP C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331964 388691805 /nfs/dbraw/zinc/69/18/05/388691805.db2.gz QLWNYVFQJUZHJO-RNCFNFMXSA-N 2 2 249.314 1.909 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261926615 135263790 /nfs/dbraw/zinc/26/37/90/135263790.db2.gz CFYUBTZKFFBYOT-MFKMUULPSA-N 2 2 249.314 1.682 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261926615 135263791 /nfs/dbraw/zinc/26/37/91/135263791.db2.gz CFYUBTZKFFBYOT-MFKMUULPSA-N 2 2 249.314 1.682 20 5 BDBDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC[N+](=O)[O-] ZINC000791051633 583383885 /nfs/dbraw/zinc/38/38/85/583383885.db2.gz HFXOBLSTUDNJGW-NSHDSACASA-N 2 2 229.324 1.069 20 5 BDBDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC[N+](=O)[O-] ZINC000791051633 583383888 /nfs/dbraw/zinc/38/38/88/583383888.db2.gz HFXOBLSTUDNJGW-NSHDSACASA-N 2 2 229.324 1.069 20 5 BDBDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC[N+](=O)[O-] ZINC000791051633 583383890 /nfs/dbraw/zinc/38/38/90/583383890.db2.gz HFXOBLSTUDNJGW-NSHDSACASA-N 2 2 229.324 1.069 20 5 BDBDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC[N+](=O)[O-] ZINC000791051633 583383893 /nfs/dbraw/zinc/38/38/93/583383893.db2.gz HFXOBLSTUDNJGW-NSHDSACASA-N 2 2 229.324 1.069 20 5 BDBDLP O=[N+]([O-])c1cccc(CC[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894368046 583439616 /nfs/dbraw/zinc/43/96/16/583439616.db2.gz XJVQNYWNGBWABG-UHFFFAOYSA-N 2 2 246.270 1.650 20 5 BDBDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971333 586859804 /nfs/dbraw/zinc/85/98/04/586859804.db2.gz CJRNIXGCQDNBJN-YUMQZZPRSA-N 2 2 238.291 1.175 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841067193 587943258 /nfs/dbraw/zinc/94/32/58/587943258.db2.gz XDAPVDMYMWHNRI-ZETCQYMHSA-N 2 2 243.694 1.685 20 5 BDBDLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168955423 969303476 /nfs/dbraw/zinc/30/34/76/969303476.db2.gz AKZFWRSEEDYBTJ-NEPJUHHUSA-N 2 2 243.351 1.363 20 5 BDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967159 969322214 /nfs/dbraw/zinc/32/22/14/969322214.db2.gz NUGBVICSUYFHQT-GRYCIOLGSA-N 2 2 241.335 1.116 20 5 BDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967159 969322222 /nfs/dbraw/zinc/32/22/22/969322222.db2.gz NUGBVICSUYFHQT-GRYCIOLGSA-N 2 2 241.335 1.116 20 5 BDBDLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591581499 347678403 /nfs/dbraw/zinc/67/84/03/347678403.db2.gz ZFRVFDYOWDPSIJ-NOZJJQNGSA-N 2 2 249.314 1.909 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000596106085 348440170 /nfs/dbraw/zinc/44/01/70/348440170.db2.gz PGOXGPYIVCADKR-UHFFFAOYSA-N 2 2 247.298 1.436 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596655370 348599673 /nfs/dbraw/zinc/59/96/73/348599673.db2.gz VZNOFPIXYFBCFV-VHSXEESVSA-N 2 2 237.303 1.853 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596653951 348607827 /nfs/dbraw/zinc/60/78/27/348607827.db2.gz MPXCCCDIIWSURM-NXEZZACHSA-N 2 2 237.303 1.853 20 5 BDBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1C[NH+](C)C1 ZINC000597202483 348676284 /nfs/dbraw/zinc/67/62/84/348676284.db2.gz CKOXOBVEVGMCRB-UHFFFAOYSA-N 2 2 249.314 1.588 20 5 BDBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1C[NH+](C)C1 ZINC000597202483 348676287 /nfs/dbraw/zinc/67/62/87/348676287.db2.gz CKOXOBVEVGMCRB-UHFFFAOYSA-N 2 2 249.314 1.588 20 5 BDBDLP O=[N+]([O-])c1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000382596222 350883276 /nfs/dbraw/zinc/88/32/76/350883276.db2.gz MAGYJMBFSBGYGJ-UHFFFAOYSA-N 2 2 249.314 1.827 20 5 BDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000129014927 350961352 /nfs/dbraw/zinc/96/13/52/350961352.db2.gz SEEPCEUODUGQAX-PWSUYJOCSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000129014927 350961354 /nfs/dbraw/zinc/96/13/54/350961354.db2.gz SEEPCEUODUGQAX-PWSUYJOCSA-N 2 2 249.314 1.906 20 5 BDBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000159664739 350968011 /nfs/dbraw/zinc/96/80/11/350968011.db2.gz WKBSKRPIOUAOGZ-ZDUSSCGKSA-N 2 2 249.314 1.764 20 5 BDBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000159664739 350968015 /nfs/dbraw/zinc/96/80/15/350968015.db2.gz WKBSKRPIOUAOGZ-ZDUSSCGKSA-N 2 2 249.314 1.764 20 5 BDBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414804753 386609059 /nfs/dbraw/zinc/60/90/59/386609059.db2.gz XUFIZJYJDNBCRV-SECBINFHSA-N 2 2 243.332 1.729 20 5 BDBDLP [NH3+][C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414902511 387600759 /nfs/dbraw/zinc/60/07/59/387600759.db2.gz YMJIZZQFRFQJLN-LBPRGKRZSA-N 2 2 235.287 1.422 20 5 BDBDLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414867993 387569364 /nfs/dbraw/zinc/56/93/64/387569364.db2.gz PKNOQEQYHAQRKZ-LBPRGKRZSA-N 2 2 249.314 1.745 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415013154 387664242 /nfs/dbraw/zinc/66/42/42/387664242.db2.gz KJQTYLOROBKQAR-VHSXEESVSA-N 2 2 237.303 1.729 20 5 BDBDLP C[C@H](C[NH3+])[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347034788 387842526 /nfs/dbraw/zinc/84/25/26/387842526.db2.gz CNJUVXJHYRTKJN-JPVGGKMYSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@H](C[NH3+])[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347034788 387842528 /nfs/dbraw/zinc/84/25/28/387842528.db2.gz CNJUVXJHYRTKJN-JPVGGKMYSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423182265 388687728 /nfs/dbraw/zinc/68/77/28/388687728.db2.gz GPOHWSUXLYWEDT-JQWIXIFHSA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423328053 388691754 /nfs/dbraw/zinc/69/17/54/388691754.db2.gz RWVMGNPONQGFQO-RNCFNFMXSA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251912478 133647679 /nfs/dbraw/zinc/64/76/79/133647679.db2.gz XHLAXJSZCAAUAN-ZWNOBZJWSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251912478 133647680 /nfs/dbraw/zinc/64/76/80/133647680.db2.gz XHLAXJSZCAAUAN-ZWNOBZJWSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000261578901 135219668 /nfs/dbraw/zinc/21/96/68/135219668.db2.gz LZOIZHQTPIZHAU-BDAKNGLRSA-N 2 2 223.276 1.420 20 5 BDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000071142012 173370824 /nfs/dbraw/zinc/37/08/24/173370824.db2.gz LGMFYZBZPXSFHL-LBPRGKRZSA-N 2 2 249.314 1.636 20 5 BDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000071142012 173370826 /nfs/dbraw/zinc/37/08/26/173370826.db2.gz LGMFYZBZPXSFHL-LBPRGKRZSA-N 2 2 249.314 1.636 20 5 BDBDLP C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251671922 176307949 /nfs/dbraw/zinc/30/79/49/176307949.db2.gz HJVCSUCTHJQBFI-ZYHUDNBSSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251671922 176307951 /nfs/dbraw/zinc/30/79/51/176307951.db2.gz HJVCSUCTHJQBFI-ZYHUDNBSSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014217 177238656 /nfs/dbraw/zinc/23/86/56/177238656.db2.gz KFIQJDUNZNBFRE-GXFFZTMASA-N 2 2 249.314 1.635 20 5 BDBDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014217 177238657 /nfs/dbraw/zinc/23/86/57/177238657.db2.gz KFIQJDUNZNBFRE-GXFFZTMASA-N 2 2 249.314 1.635 20 5 BDBDLP C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235649061 177253715 /nfs/dbraw/zinc/25/37/15/177253715.db2.gz KFJSAHYFFSZCSE-GWCFXTLKSA-N 2 2 249.314 1.416 20 5 BDBDLP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235649061 177253716 /nfs/dbraw/zinc/25/37/16/177253716.db2.gz KFJSAHYFFSZCSE-GWCFXTLKSA-N 2 2 249.314 1.416 20 5 BDBDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000903960311 584828560 /nfs/dbraw/zinc/82/85/60/584828560.db2.gz DKYGLMDTMAMUMN-BXKDBHETSA-N 2 2 235.287 1.292 20 5 BDBDLP C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000791055812 585973646 /nfs/dbraw/zinc/97/36/46/585973646.db2.gz YVDPIBJRKVYIKB-QWRGUYRKSA-N 2 2 238.291 1.043 20 5 BDBDLP C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000791055812 585973647 /nfs/dbraw/zinc/97/36/47/585973647.db2.gz YVDPIBJRKVYIKB-QWRGUYRKSA-N 2 2 238.291 1.043 20 5 BDBDLP CC(C)(C)[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905055803 637589393 /nfs/dbraw/zinc/58/93/93/637589393.db2.gz SNWBXICUEUKOSR-UHFFFAOYSA-N 2 2 229.324 1.116 20 5 BDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967160 969320903 /nfs/dbraw/zinc/32/09/03/969320903.db2.gz NUGBVICSUYFHQT-IJLUTSLNSA-N 2 2 241.335 1.116 20 5 BDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967160 969320906 /nfs/dbraw/zinc/32/09/06/969320906.db2.gz NUGBVICSUYFHQT-IJLUTSLNSA-N 2 2 241.335 1.116 20 5 BDBDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000591580580 347677547 /nfs/dbraw/zinc/67/75/47/347677547.db2.gz ADYOGKDUNSZMKN-DTWKUNHWSA-N 2 2 223.276 1.593 20 5 BDBDLP C[C@H]([NH3+])C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420365904 192223771 /nfs/dbraw/zinc/22/37/71/192223771.db2.gz SYVFEJMNBGXXNR-JTQLQIEISA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@H]([NH3+])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420365904 192223774 /nfs/dbraw/zinc/22/37/74/192223774.db2.gz SYVFEJMNBGXXNR-JTQLQIEISA-N 2 2 249.314 1.906 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000044290004 384572994 /nfs/dbraw/zinc/57/29/94/384572994.db2.gz GWRRMZDCNBVNFE-UHFFFAOYSA-N 2 2 246.270 1.581 20 5 BDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[NH2+]C1 ZINC000414880731 385979462 /nfs/dbraw/zinc/97/94/62/385979462.db2.gz KOHBPUPHCBJNJV-KTLBGCOUSA-N 2 2 247.298 1.560 20 5 BDBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414921289 386581634 /nfs/dbraw/zinc/58/16/34/386581634.db2.gz DIZCLZSXBBNRTQ-GXFFZTMASA-N 2 2 249.314 1.682 20 5 BDBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414921296 386582082 /nfs/dbraw/zinc/58/20/82/386582082.db2.gz DIZCLZSXBBNRTQ-ZWNOBZJWSA-N 2 2 249.314 1.682 20 5 BDBDLP C[NH2+]CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414820937 386675382 /nfs/dbraw/zinc/67/53/82/386675382.db2.gz KNVPIZQCZXXKPY-UHFFFAOYSA-N 2 2 223.276 1.212 20 5 BDBDLP CC[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414836938 387300513 /nfs/dbraw/zinc/30/05/13/387300513.db2.gz XABDZJPTTNTEDD-UHFFFAOYSA-N 2 2 237.303 1.602 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414843069 387375099 /nfs/dbraw/zinc/37/50/99/387375099.db2.gz JHKJTJKLXSTNJY-GFCCVEGCSA-N 2 2 249.314 1.745 20 5 BDBDLP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347089598 387349690 /nfs/dbraw/zinc/34/96/90/387349690.db2.gz FFJMFHNQQODFRF-SNVBAGLBSA-N 2 2 237.303 1.682 20 5 BDBDLP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000347089598 387349698 /nfs/dbraw/zinc/34/96/98/387349698.db2.gz FFJMFHNQQODFRF-SNVBAGLBSA-N 2 2 237.303 1.682 20 5 BDBDLP [NH3+][C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000414902979 387600948 /nfs/dbraw/zinc/60/09/48/387600948.db2.gz ZCISSPVXNGDTLY-SECBINFHSA-N 2 2 241.316 1.483 20 5 BDBDLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414954944 387616731 /nfs/dbraw/zinc/61/67/31/387616731.db2.gz SZUDTKMAGBXHAM-JQWIXIFHSA-N 2 2 249.314 1.825 20 5 BDBDLP C[NH2+]CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414859340 387564595 /nfs/dbraw/zinc/56/45/95/387564595.db2.gz MLVGYABLBVFRTI-UHFFFAOYSA-N 2 2 241.266 1.433 20 5 BDBDLP C[C@@H](C[NH3+])[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347034791 387843061 /nfs/dbraw/zinc/84/30/61/387843061.db2.gz CNJUVXJHYRTKJN-ZRQQLDRUSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@@H](C[NH3+])[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347034791 387843065 /nfs/dbraw/zinc/84/30/65/387843065.db2.gz CNJUVXJHYRTKJN-ZRQQLDRUSA-N 2 2 249.314 1.887 20 5 BDBDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423248505 388032069 /nfs/dbraw/zinc/03/20/69/388032069.db2.gz QUYPTYCWGUCLBT-JTQLQIEISA-N 2 2 237.303 1.855 20 5 BDBDLP CC[C@@H]([NH2+]CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712731 388586683 /nfs/dbraw/zinc/58/66/83/388586683.db2.gz KYVGTKYCYIRVTG-LLVKDONJSA-N 2 2 223.276 1.594 20 5 BDBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423210219 388687822 /nfs/dbraw/zinc/68/78/22/388687822.db2.gz WLAAFPIBQXBKMZ-WDEREUQCSA-N 2 2 249.314 1.916 20 5 BDBDLP CC[NH2+]CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423235737 388690027 /nfs/dbraw/zinc/69/00/27/388690027.db2.gz BABZSWLZLAKAKO-SNVBAGLBSA-N 2 2 237.303 1.855 20 5 BDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000071142014 173381408 /nfs/dbraw/zinc/38/14/08/173381408.db2.gz LGMFYZBZPXSFHL-GFCCVEGCSA-N 2 2 249.314 1.636 20 5 BDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000071142014 173381410 /nfs/dbraw/zinc/38/14/10/173381410.db2.gz LGMFYZBZPXSFHL-GFCCVEGCSA-N 2 2 249.314 1.636 20 5 BDBDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000902414877 584600143 /nfs/dbraw/zinc/60/01/43/584600143.db2.gz FOQZWEKOYWECHI-SECBINFHSA-N 2 2 235.287 1.737 20 5 BDBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000906508034 638179829 /nfs/dbraw/zinc/17/98/29/638179829.db2.gz IIDFRXOEXABUDI-ZKCHVHJHSA-N 2 2 227.289 1.236 20 5 BDBDLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000906518554 638187356 /nfs/dbraw/zinc/18/73/56/638187356.db2.gz ZWSAQETYZHLTLH-KYZUINATSA-N 2 2 239.250 1.313 20 5 BDBDLP C[N+](C)(C)CCOC1C[NH+](Cc2ccccc2)C1 ZINC001224771696 973937152 /nfs/dbraw/zinc/93/71/52/973937152.db2.gz QTBNYHMZSWOIHN-UHFFFAOYSA-N 2 2 249.378 1.594 20 5 BDBDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CC[N+](=O)[O-] ZINC001353267539 982811378 /nfs/dbraw/zinc/81/13/78/982811378.db2.gz SNAKNBWUWVFVOT-LLVKDONJSA-N 2 2 229.324 1.117 20 5 BDBDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC[N+](=O)[O-] ZINC001353267539 982811381 /nfs/dbraw/zinc/81/13/81/982811381.db2.gz SNAKNBWUWVFVOT-LLVKDONJSA-N 2 2 229.324 1.117 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043327080 343051088 /nfs/dbraw/zinc/05/10/88/343051088.db2.gz JLSPNBGQHBIPDJ-NSHDSACASA-N 2 2 235.287 1.436 20 5 BDBDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000043327199 343051109 /nfs/dbraw/zinc/05/11/09/343051109.db2.gz ONXLDCQVQYDUAP-JQWIXIFHSA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591580577 347677338 /nfs/dbraw/zinc/67/73/38/347677338.db2.gz ADYOGKDUNSZMKN-BDAKNGLRSA-N 2 2 223.276 1.593 20 5 BDBDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591580581 347677879 /nfs/dbraw/zinc/67/78/79/347677879.db2.gz ADYOGKDUNSZMKN-IUCAKERBSA-N 2 2 223.276 1.593 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000596105250 348440343 /nfs/dbraw/zinc/44/03/43/348440343.db2.gz ILBILIGSHLNDEB-SECBINFHSA-N 2 2 223.276 1.292 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596653952 348607802 /nfs/dbraw/zinc/60/78/02/348607802.db2.gz MPXCCCDIIWSURM-UWVGGRQHSA-N 2 2 237.303 1.853 20 5 BDBDLP Cc1c(C[N@@H+](C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000383015715 351162594 /nfs/dbraw/zinc/16/25/94/351162594.db2.gz ICDPKAKEEBOVNL-VIFPVBQESA-N 2 2 237.303 1.682 20 5 BDBDLP Cc1c(C[N@H+](C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000383015715 351162596 /nfs/dbraw/zinc/16/25/96/351162596.db2.gz ICDPKAKEEBOVNL-VIFPVBQESA-N 2 2 237.303 1.682 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414978477 219885840 /nfs/dbraw/zinc/88/58/40/219885840.db2.gz LWIIUYFXTJRYOJ-JTQLQIEISA-N 2 2 223.276 1.422 20 5 BDBDLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423372644 384554461 /nfs/dbraw/zinc/55/44/61/384554461.db2.gz RIMHCEPQQXZFKK-VHSXEESVSA-N 2 2 237.303 1.901 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000236408244 385120142 /nfs/dbraw/zinc/12/01/42/385120142.db2.gz MELHAVGZBGVFDB-NSHDSACASA-N 2 2 235.287 1.436 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414987310 387631658 /nfs/dbraw/zinc/63/16/58/387631658.db2.gz YUUNRADQNYXAEY-MRVPVSSYSA-N 2 2 229.305 1.483 20 5 BDBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036301410 387904756 /nfs/dbraw/zinc/90/47/56/387904756.db2.gz NAVOHXKMDDYAMJ-UHFFFAOYSA-N 2 2 249.314 1.779 20 5 BDBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000036301410 387904760 /nfs/dbraw/zinc/90/47/60/387904760.db2.gz NAVOHXKMDDYAMJ-UHFFFAOYSA-N 2 2 249.314 1.779 20 5 BDBDLP C[C@H]([NH2+]CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000037712754 388586196 /nfs/dbraw/zinc/58/61/96/388586196.db2.gz QGHMDTLYBWEQHU-QMMMGPOBSA-N 2 2 209.249 1.204 20 5 BDBDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423182267 388688571 /nfs/dbraw/zinc/68/85/71/388688571.db2.gz GPOHWSUXLYWEDT-ZYHUDNBSSA-N 2 2 249.314 1.997 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423481462 388692751 /nfs/dbraw/zinc/69/27/51/388692751.db2.gz WSTLMWSCMKKGTP-KOLCDFICSA-N 2 2 237.303 1.983 20 5 BDBDLP C[C@@](C[NH3+])([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430587223 388728662 /nfs/dbraw/zinc/72/86/62/388728662.db2.gz VLKSFZSIIGOAMW-ZDUSSCGKSA-N 2 2 249.314 1.812 20 5 BDBDLP C[N@H+](CCC[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000899864932 584245587 /nfs/dbraw/zinc/24/55/87/584245587.db2.gz BHGKJKWUAZEMLV-UHFFFAOYSA-N 2 2 243.351 1.507 20 5 BDBDLP C[N@@H+](CCC[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000899864932 584245589 /nfs/dbraw/zinc/24/55/89/584245589.db2.gz BHGKJKWUAZEMLV-UHFFFAOYSA-N 2 2 243.351 1.507 20 5 BDBDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817966071 584992883 /nfs/dbraw/zinc/99/28/83/584992883.db2.gz FQXKAJWAXJNRPS-SFYZADRCSA-N 2 2 238.291 1.175 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817969640 586855960 /nfs/dbraw/zinc/85/59/60/586855960.db2.gz FQXKAJWAXJNRPS-YUMQZZPRSA-N 2 2 238.291 1.175 20 5 BDBDLP C[C@H]([NH3+])C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000863653838 589308184 /nfs/dbraw/zinc/30/81/84/589308184.db2.gz QOIIRHMWXQFKND-XOIDGJRKSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@H]([NH3+])C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000863653838 589308186 /nfs/dbraw/zinc/30/81/86/589308186.db2.gz QOIIRHMWXQFKND-XOIDGJRKSA-N 2 2 249.314 1.887 20 5 BDBDLP O=[N+]([O-])CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000905066794 637597567 /nfs/dbraw/zinc/59/75/67/637597567.db2.gz SJDKXIPCQQDXPE-UHFFFAOYSA-N 2 2 246.270 1.239 20 5 BDBDLP C[NH+](C)CC[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000905119602 637624468 /nfs/dbraw/zinc/62/44/68/637624468.db2.gz IMCBFBVNDNMNMU-JTQLQIEISA-N 2 2 231.340 1.219 20 5 BDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001254540395 969738594 /nfs/dbraw/zinc/73/85/94/969738594.db2.gz STNAGYWQDGMSCN-FBIMIBRVSA-N 2 2 235.287 1.215 20 5 BDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001173234501 975076681 /nfs/dbraw/zinc/07/66/81/975076681.db2.gz PDCFYNLEJJMHAX-GGZOMVNGSA-N 2 2 235.287 1.215 20 5 BDBDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000600713658 344362192 /nfs/dbraw/zinc/36/21/92/344362192.db2.gz KHMNWANSNWTESA-OUJBWJOFSA-N 2 2 249.314 1.996 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596655368 348599496 /nfs/dbraw/zinc/59/94/96/348599496.db2.gz VZNOFPIXYFBCFV-NXEZZACHSA-N 2 2 237.303 1.853 20 5 BDBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000385148417 356908980 /nfs/dbraw/zinc/90/89/80/356908980.db2.gz CPYJPWBAQAMYQB-UHFFFAOYSA-N 2 2 249.314 1.908 20 5 BDBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000385148417 356908983 /nfs/dbraw/zinc/90/89/83/356908983.db2.gz CPYJPWBAQAMYQB-UHFFFAOYSA-N 2 2 249.314 1.908 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000346644849 357124328 /nfs/dbraw/zinc/12/43/28/357124328.db2.gz NLEBKMNQNZHXSR-UHFFFAOYSA-N 2 2 249.314 1.699 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000346644849 357124330 /nfs/dbraw/zinc/12/43/30/357124330.db2.gz NLEBKMNQNZHXSR-UHFFFAOYSA-N 2 2 249.314 1.699 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000231480100 372037097 /nfs/dbraw/zinc/03/70/97/372037097.db2.gz GFCKWHYLPHSWIC-ONGXEEELSA-N 2 2 237.303 1.983 20 5 BDBDLP C[N@H+](CCC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000133208614 372004986 /nfs/dbraw/zinc/00/49/86/372004986.db2.gz BQUDHPRRBRQEEN-UHFFFAOYSA-N 2 2 229.305 1.437 20 5 BDBDLP C[N@@H+](CCC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000133208614 372004991 /nfs/dbraw/zinc/00/49/91/372004991.db2.gz BQUDHPRRBRQEEN-UHFFFAOYSA-N 2 2 229.305 1.437 20 5 BDBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000396712696 385792255 /nfs/dbraw/zinc/79/22/55/385792255.db2.gz RQOVDMBRUNETKN-GWCFXTLKSA-N 2 2 249.314 1.825 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000052926242 386371911 /nfs/dbraw/zinc/37/19/11/386371911.db2.gz NXWRFVMLKHKYEL-LLVKDONJSA-N 2 2 235.287 1.436 20 5 BDBDLP [NH3+][C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000050243866 386690409 /nfs/dbraw/zinc/69/04/09/386690409.db2.gz CKFWYWPPILLHMT-NSHDSACASA-N 2 2 235.287 1.170 20 5 BDBDLP [NH3+][C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000050243866 386690412 /nfs/dbraw/zinc/69/04/12/386690412.db2.gz CKFWYWPPILLHMT-NSHDSACASA-N 2 2 235.287 1.170 20 5 BDBDLP C[NH2+]CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414826420 387267056 /nfs/dbraw/zinc/26/70/56/387267056.db2.gz VVLMPAXZQJLMIT-GQCTYLIASA-N 2 2 235.287 1.417 20 5 BDBDLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414954946 387617364 /nfs/dbraw/zinc/61/73/64/387617364.db2.gz SZUDTKMAGBXHAM-ZYHUDNBSSA-N 2 2 249.314 1.825 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415013152 387663300 /nfs/dbraw/zinc/66/33/00/387663300.db2.gz KJQTYLOROBKQAR-UWVGGRQHSA-N 2 2 237.303 1.729 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000596110747 388404325 /nfs/dbraw/zinc/40/43/25/388404325.db2.gz SYUJGQIJCLJWTE-UHFFFAOYSA-N 2 2 247.298 1.436 20 5 BDBDLP CCC[C@@H]([NH2+]CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712700 388586780 /nfs/dbraw/zinc/58/67/80/388586780.db2.gz RHBAGAABKOUUET-GFCCVEGCSA-N 2 2 237.303 1.984 20 5 BDBDLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422948942 388687304 /nfs/dbraw/zinc/68/73/04/388687304.db2.gz SIGOSCPJKCTEQO-WDEREUQCSA-N 2 2 235.287 1.564 20 5 BDBDLP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000422932966 388687472 /nfs/dbraw/zinc/68/74/72/388687472.db2.gz AZXLLDZYXXEBQL-SECBINFHSA-N 2 2 235.287 1.292 20 5 BDBDLP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423210217 388688552 /nfs/dbraw/zinc/68/85/52/388688552.db2.gz WLAAFPIBQXBKMZ-MNOVXSKESA-N 2 2 249.314 1.916 20 5 BDBDLP Cc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423333248 388691708 /nfs/dbraw/zinc/69/17/08/388691708.db2.gz RIMHCEPQQXZFKK-NXEZZACHSA-N 2 2 237.303 1.901 20 5 BDBDLP Cc1c([C@@H](C)[NH2+][C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423368571 388691885 /nfs/dbraw/zinc/69/18/85/388691885.db2.gz NIXKNRQGUSSSEM-WCBMZHEXSA-N 2 2 237.303 1.901 20 5 BDBDLP C[C@](C[NH3+])([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430587619 388728711 /nfs/dbraw/zinc/72/87/11/388728711.db2.gz WSCFPEIDUDRNEH-CYBMUJFWSA-N 2 2 249.314 1.812 20 5 BDBDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CC[N+](=O)[O-])C1 ZINC000899870498 584244797 /nfs/dbraw/zinc/24/47/97/584244797.db2.gz HVZGCBXQTMUKGP-RYUDHWBXSA-N 2 2 243.351 1.221 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873251096 590008655 /nfs/dbraw/zinc/00/86/55/590008655.db2.gz IXMNQWRAECFAMI-VXGBXAGGSA-N 2 2 249.314 1.873 20 5 BDBDLP [NH3+]CCc1[nH+]ccn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967510 969321517 /nfs/dbraw/zinc/32/15/17/969321517.db2.gz QHUSPVDDRVDADU-UWVGGRQHSA-N 2 2 238.291 1.002 20 5 BDBDLP [NH3+]CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001580245206 986696893 /nfs/dbraw/zinc/69/68/93/986696893.db2.gz DRCBWXFUGDLDKV-UHFFFAOYSA-N 2 2 249.314 1.956 20 5 BDBDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235213354 188129274 /nfs/dbraw/zinc/12/92/74/188129274.db2.gz UKXSQOKUWBAEII-ZYHUDNBSSA-N 2 2 249.314 1.997 20 5 BDBDLP [NH3+]C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000342109296 181332796 /nfs/dbraw/zinc/33/27/96/181332796.db2.gz REHSLCSFOHPRNM-UHFFFAOYSA-N 2 2 241.316 1.627 20 5 BDBDLP C[NH2+]CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000435884139 201296212 /nfs/dbraw/zinc/29/62/12/201296212.db2.gz OJOKGHCUBWYUMJ-UHFFFAOYSA-N 2 2 249.314 1.562 20 5 BDBDLP C[NH2+]CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000435884139 201296214 /nfs/dbraw/zinc/29/62/14/201296214.db2.gz OJOKGHCUBWYUMJ-UHFFFAOYSA-N 2 2 249.314 1.562 20 5 BDBDLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423011351 384493526 /nfs/dbraw/zinc/49/35/26/384493526.db2.gz AXKZJOGBVYSTDI-NXEZZACHSA-N 2 2 249.314 1.853 20 5 BDBDLP C[C@H](C[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414922120 386591492 /nfs/dbraw/zinc/59/14/92/386591492.db2.gz BYBPDUWCMIWPCK-ZCFIWIBFSA-N 2 2 215.278 1.093 20 5 BDBDLP Cc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415006670 387652748 /nfs/dbraw/zinc/65/27/48/387652748.db2.gz KUVYATSCWWODQV-VHSXEESVSA-N 2 2 237.303 1.729 20 5 BDBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000415018680 387663326 /nfs/dbraw/zinc/66/33/26/387663326.db2.gz QYRVVHSHDHTIQC-HTQZYQBOSA-N 2 2 241.266 1.559 20 5 BDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C1 ZINC000423217610 388688246 /nfs/dbraw/zinc/68/82/46/388688246.db2.gz SDQTUCXUHUUWOF-ZYHUDNBSSA-N 2 2 249.314 1.477 20 5 BDBDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423269806 388689272 /nfs/dbraw/zinc/68/92/72/388689272.db2.gz FXAXFELLMRNYKA-NOZJJQNGSA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268791 388690159 /nfs/dbraw/zinc/69/01/59/388690159.db2.gz DYRKTWCAZIMZPY-NOZJJQNGSA-N 2 2 249.314 1.983 20 5 BDBDLP Cc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000423333250 388691025 /nfs/dbraw/zinc/69/10/25/388691025.db2.gz RIMHCEPQQXZFKK-ZJUUUORDSA-N 2 2 237.303 1.901 20 5 BDBDLP C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423331963 388691843 /nfs/dbraw/zinc/69/18/43/388691843.db2.gz QLWNYVFQJUZHJO-NOZJJQNGSA-N 2 2 249.314 1.909 20 5 BDBDLP Cc1c(C[N@@H+]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000123449471 388732111 /nfs/dbraw/zinc/73/21/11/388732111.db2.gz NMDQDUDBQFZNJP-GFCCVEGCSA-N 2 2 249.314 1.826 20 5 BDBDLP Cc1c(C[N@H+]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000123449471 388732114 /nfs/dbraw/zinc/73/21/14/388732114.db2.gz NMDQDUDBQFZNJP-GFCCVEGCSA-N 2 2 249.314 1.826 20 5 BDBDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000903960514 584828013 /nfs/dbraw/zinc/82/80/13/584828013.db2.gz NNBRVCFENMEULP-BXKDBHETSA-N 2 2 235.287 1.292 20 5 BDBDLP Cc1ccc(C[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000904450296 637417475 /nfs/dbraw/zinc/41/74/75/637417475.db2.gz RAEAGQOCFUWMSS-UHFFFAOYSA-N 2 2 235.287 1.484 20 5 BDBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC001168959669 969310908 /nfs/dbraw/zinc/31/09/08/969310908.db2.gz XVIJBGHUSXBGFO-NEPJUHHUSA-N 2 2 241.335 1.117 20 5 BDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001173213189 975077889 /nfs/dbraw/zinc/07/78/89/975077889.db2.gz GDNMKSGFIOORDW-JQWIXIFHSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001173213189 975077894 /nfs/dbraw/zinc/07/78/94/975077894.db2.gz GDNMKSGFIOORDW-JQWIXIFHSA-N 2 2 249.314 1.559 20 5 BDBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574286 345537814 /nfs/dbraw/zinc/53/78/14/345537814.db2.gz UKZDACONHWNZAW-RYUDHWBXSA-N 2 2 247.298 1.246 20 5 BDBDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577204 347677010 /nfs/dbraw/zinc/67/70/10/347677010.db2.gz AXKPPGGSLOADFM-SNVBAGLBSA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591581504 347678918 /nfs/dbraw/zinc/67/89/18/347678918.db2.gz ZFRVFDYOWDPSIJ-TVQRCGJNSA-N 2 2 249.314 1.909 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000596104587 348440470 /nfs/dbraw/zinc/44/04/70/348440470.db2.gz GRTWYWZZSYWLTJ-XOIDGJRKSA-N 2 2 249.314 1.806 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414980090 352417231 /nfs/dbraw/zinc/41/72/31/352417231.db2.gz OXQHAWMKISRBOI-NSHDSACASA-N 2 2 237.303 1.730 20 5 BDBDLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420391907 192237084 /nfs/dbraw/zinc/23/70/84/192237084.db2.gz BGVKPKOOEVHWFX-CABZTGNLSA-N 2 2 237.303 1.983 20 5 BDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420409757 192239583 /nfs/dbraw/zinc/23/95/83/192239583.db2.gz QTFTUBUJRDOPOO-VHSXEESVSA-N 2 2 237.303 1.901 20 5 BDBDLP [NH3+]CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573665121 364886682 /nfs/dbraw/zinc/88/66/82/364886682.db2.gz HWWFWGPPADLZRP-UHFFFAOYSA-N 2 2 235.287 1.302 20 5 BDBDLP [NH3+]CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573665121 364886685 /nfs/dbraw/zinc/88/66/85/364886685.db2.gz HWWFWGPPADLZRP-UHFFFAOYSA-N 2 2 235.287 1.302 20 5 BDBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000395049205 384393798 /nfs/dbraw/zinc/39/37/98/384393798.db2.gz LPKDWFRXXULLSF-UHFFFAOYSA-N 2 2 235.287 1.516 20 5 BDBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000395049205 384393804 /nfs/dbraw/zinc/39/38/04/384393804.db2.gz LPKDWFRXXULLSF-UHFFFAOYSA-N 2 2 235.287 1.516 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000236408298 385121174 /nfs/dbraw/zinc/12/11/74/385121174.db2.gz MELHAVGZBGVFDB-LLVKDONJSA-N 2 2 235.287 1.436 20 5 BDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[NH2+]C1 ZINC000414880732 387581461 /nfs/dbraw/zinc/58/14/61/387581461.db2.gz KOHBPUPHCBJNJV-OGOUPESXSA-N 2 2 247.298 1.560 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414984588 387630156 /nfs/dbraw/zinc/63/01/56/387630156.db2.gz VCXGSMQOZVHSFJ-VIFPVBQESA-N 2 2 241.266 1.561 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415013150 387664304 /nfs/dbraw/zinc/66/43/04/387664304.db2.gz KJQTYLOROBKQAR-NXEZZACHSA-N 2 2 237.303 1.729 20 5 BDBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000415104615 387707270 /nfs/dbraw/zinc/70/72/70/387707270.db2.gz HFGMEULWPAHCPZ-GQCTYLIASA-N 2 2 235.287 1.499 20 5 BDBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000415104615 387707273 /nfs/dbraw/zinc/70/72/73/387707273.db2.gz HFGMEULWPAHCPZ-GQCTYLIASA-N 2 2 235.287 1.499 20 5 BDBDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423225554 388690084 /nfs/dbraw/zinc/69/00/84/388690084.db2.gz NFIDDUVCYPGKLY-VIFPVBQESA-N 2 2 223.276 1.465 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423269808 388690178 /nfs/dbraw/zinc/69/01/78/388690178.db2.gz FXAXFELLMRNYKA-RNCFNFMXSA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423231532 388690220 /nfs/dbraw/zinc/69/02/20/388690220.db2.gz GSLWSCMLQBATLF-PWSUYJOCSA-N 2 2 249.314 1.997 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261926614 135263830 /nfs/dbraw/zinc/26/38/30/135263830.db2.gz CFYUBTZKFFBYOT-GXFFZTMASA-N 2 2 249.314 1.682 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261926614 135263831 /nfs/dbraw/zinc/26/38/31/135263831.db2.gz CFYUBTZKFFBYOT-GXFFZTMASA-N 2 2 249.314 1.682 20 5 BDBDLP C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235324665 176293928 /nfs/dbraw/zinc/29/39/28/176293928.db2.gz KFJSAHYFFSZCSE-MFKMUULPSA-N 2 2 249.314 1.416 20 5 BDBDLP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000235324665 176293930 /nfs/dbraw/zinc/29/39/30/176293930.db2.gz KFJSAHYFFSZCSE-MFKMUULPSA-N 2 2 249.314 1.416 20 5 BDBDLP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414842523 323151599 /nfs/dbraw/zinc/15/15/99/323151599.db2.gz IQQAMTVKRXTXAH-GFCCVEGCSA-N 2 2 249.314 1.745 20 5 BDBDLP C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000791055813 585973736 /nfs/dbraw/zinc/97/37/36/585973736.db2.gz YVDPIBJRKVYIKB-WDEREUQCSA-N 2 2 238.291 1.043 20 5 BDBDLP C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000791055813 585973737 /nfs/dbraw/zinc/97/37/37/585973737.db2.gz YVDPIBJRKVYIKB-WDEREUQCSA-N 2 2 238.291 1.043 20 5 BDBDLP [NH3+]CCc1[nH+]ccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967509 969321617 /nfs/dbraw/zinc/32/16/17/969321617.db2.gz QHUSPVDDRVDADU-NXEZZACHSA-N 2 2 238.291 1.002 20 5 BDBDLP C[C@H]([NH3+])C[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246979436 973738699 /nfs/dbraw/zinc/73/86/99/973738699.db2.gz AEKBRUUGKPQQTC-ZANVPECISA-N 2 2 249.314 1.341 20 5 BDBDLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246979436 973738712 /nfs/dbraw/zinc/73/87/12/973738712.db2.gz AEKBRUUGKPQQTC-ZANVPECISA-N 2 2 249.314 1.341 20 5 BDBDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000043327200 343051382 /nfs/dbraw/zinc/05/13/82/343051382.db2.gz ONXLDCQVQYDUAP-PWSUYJOCSA-N 2 2 249.314 1.997 20 5 BDBDLP CC[N@H+](CC[NH3+])Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000600775275 344370885 /nfs/dbraw/zinc/37/08/85/344370885.db2.gz MTFMVWCYOJTUPI-UHFFFAOYSA-N 2 2 237.303 1.684 20 5 BDBDLP CC[N@@H+](CC[NH3+])Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000600775275 344370887 /nfs/dbraw/zinc/37/08/87/344370887.db2.gz MTFMVWCYOJTUPI-UHFFFAOYSA-N 2 2 237.303 1.684 20 5 BDBDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000591581456 347678530 /nfs/dbraw/zinc/67/85/30/347678530.db2.gz XBQCXFNLXCCUKJ-IUCAKERBSA-N 2 2 223.276 1.593 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000596103137 348439654 /nfs/dbraw/zinc/43/96/54/348439654.db2.gz AYJOXEXUGYKKJL-SNVBAGLBSA-N 2 2 237.303 1.601 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000596104585 348440385 /nfs/dbraw/zinc/44/03/85/348440385.db2.gz GRTWYWZZSYWLTJ-JPVGGKMYSA-N 2 2 249.314 1.806 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596655371 348599578 /nfs/dbraw/zinc/59/95/78/348599578.db2.gz VZNOFPIXYFBCFV-ZJUUUORDSA-N 2 2 237.303 1.853 20 5 BDBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159670561 350968138 /nfs/dbraw/zinc/96/81/38/350968138.db2.gz UVHOFJSAOHXTNB-ZDUSSCGKSA-N 2 2 249.314 1.764 20 5 BDBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000159670561 350968140 /nfs/dbraw/zinc/96/81/40/350968140.db2.gz UVHOFJSAOHXTNB-ZDUSSCGKSA-N 2 2 249.314 1.764 20 5 BDBDLP CC(C)([NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000261561225 535209539 /nfs/dbraw/zinc/20/95/39/535209539.db2.gz AMQWMVPPOXICTB-UHFFFAOYSA-N 2 2 223.276 1.422 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415064208 191666546 /nfs/dbraw/zinc/66/65/46/191666546.db2.gz CASLGHZISGPNRZ-GFCCVEGCSA-N 2 2 249.314 1.827 20 5 BDBDLP CCC[C@H]([NH2+]CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712699 364542712 /nfs/dbraw/zinc/54/27/12/364542712.db2.gz RHBAGAABKOUUET-LBPRGKRZSA-N 2 2 237.303 1.984 20 5 BDBDLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328894 371747719 /nfs/dbraw/zinc/74/77/19/371747719.db2.gz BUDAUDDDOMENRN-JQWIXIFHSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328894 371747727 /nfs/dbraw/zinc/74/77/27/371747727.db2.gz BUDAUDDDOMENRN-JQWIXIFHSA-N 2 2 249.314 1.559 20 5 BDBDLP O=[N+]([O-])c1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000041063671 374102473 /nfs/dbraw/zinc/10/24/73/374102473.db2.gz ONOOYPZHYWKMSJ-UHFFFAOYSA-N 2 2 246.270 1.581 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235145625 384208261 /nfs/dbraw/zinc/20/82/61/384208261.db2.gz BNCNDUCLHWYKMW-IUCAKERBSA-N 2 2 223.276 1.593 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000565214864 384620318 /nfs/dbraw/zinc/62/03/18/384620318.db2.gz JMQMRFQPFSZAJO-UHFFFAOYSA-N 2 2 249.314 1.780 20 5 BDBDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000396633931 385713351 /nfs/dbraw/zinc/71/33/51/385713351.db2.gz JSXOVQGLPHBIOX-MFKMUULPSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000422932968 388686740 /nfs/dbraw/zinc/68/67/40/388686740.db2.gz AZXLLDZYXXEBQL-VIFPVBQESA-N 2 2 235.287 1.292 20 5 BDBDLP Cc1c([C@H](C)[NH2+]CC[NH3+])cccc1[N+](=O)[O-] ZINC000423183498 388688733 /nfs/dbraw/zinc/68/87/33/388688733.db2.gz MJQCRBXGKKATTD-VIFPVBQESA-N 2 2 223.276 1.513 20 5 BDBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423210218 388688779 /nfs/dbraw/zinc/68/87/79/388688779.db2.gz WLAAFPIBQXBKMZ-QWRGUYRKSA-N 2 2 249.314 1.916 20 5 BDBDLP C[NH2+]CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000124785166 173345663 /nfs/dbraw/zinc/34/56/63/173345663.db2.gz FPWQBUQWIAWTHE-UHFFFAOYSA-N 2 2 237.303 1.636 20 5 BDBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000124785166 173345665 /nfs/dbraw/zinc/34/56/65/173345665.db2.gz FPWQBUQWIAWTHE-UHFFFAOYSA-N 2 2 237.303 1.636 20 5 BDBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC001168959671 969309526 /nfs/dbraw/zinc/30/95/26/969309526.db2.gz XVIJBGHUSXBGFO-NWDGAFQWSA-N 2 2 241.335 1.117 20 5 BDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001173213192 975076963 /nfs/dbraw/zinc/07/69/63/975076963.db2.gz GDNMKSGFIOORDW-ZYHUDNBSSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC001173213192 975076971 /nfs/dbraw/zinc/07/69/71/975076971.db2.gz GDNMKSGFIOORDW-ZYHUDNBSSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251912474 362985699 /nfs/dbraw/zinc/98/56/99/362985699.db2.gz XHLAXJSZCAAUAN-GXFFZTMASA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251912474 362985702 /nfs/dbraw/zinc/98/57/02/362985702.db2.gz XHLAXJSZCAAUAN-GXFFZTMASA-N 2 2 249.314 1.764 20 5 BDBDLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420391908 192236094 /nfs/dbraw/zinc/23/60/94/192236094.db2.gz BGVKPKOOEVHWFX-JOYOIKCWSA-N 2 2 237.303 1.983 20 5 BDBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385368230 357679728 /nfs/dbraw/zinc/67/97/28/357679728.db2.gz XEAKUXYTHSVULW-UHFFFAOYSA-N 2 2 249.314 1.908 20 5 BDBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000385368230 357679732 /nfs/dbraw/zinc/67/97/32/357679732.db2.gz XEAKUXYTHSVULW-UHFFFAOYSA-N 2 2 249.314 1.908 20 5 BDBDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000347151243 387515149 /nfs/dbraw/zinc/51/51/49/387515149.db2.gz ZRSLJKGGCPLYCL-VIFPVBQESA-N 2 2 223.276 1.374 20 5 BDBDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000347151243 387515152 /nfs/dbraw/zinc/51/51/52/387515152.db2.gz ZRSLJKGGCPLYCL-VIFPVBQESA-N 2 2 223.276 1.374 20 5 BDBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000415015413 387665769 /nfs/dbraw/zinc/66/57/69/387665769.db2.gz YRWRVGDPHUOHKO-RQJHMYQMSA-N 2 2 229.305 1.482 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415066550 387693076 /nfs/dbraw/zinc/69/30/76/387693076.db2.gz JGQRIBWTECHMEU-LBPRGKRZSA-N 2 2 249.314 1.827 20 5 BDBDLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423269810 388689402 /nfs/dbraw/zinc/68/94/02/388689402.db2.gz FXAXFELLMRNYKA-TVQRCGJNSA-N 2 2 249.314 1.983 20 5 BDBDLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423319279 388691202 /nfs/dbraw/zinc/69/12/02/388691202.db2.gz DYXDMJBXWCLASM-SKDRFNHKSA-N 2 2 237.303 1.983 20 5 BDBDLP Cc1c([C@H](C)[NH2+][C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423368579 388691540 /nfs/dbraw/zinc/69/15/40/388691540.db2.gz NIXKNRQGUSSSEM-WPRPVWTQSA-N 2 2 237.303 1.901 20 5 BDBDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014213 177236102 /nfs/dbraw/zinc/23/61/02/177236102.db2.gz KFIQJDUNZNBFRE-GWCFXTLKSA-N 2 2 249.314 1.635 20 5 BDBDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014213 177236104 /nfs/dbraw/zinc/23/61/04/177236104.db2.gz KFIQJDUNZNBFRE-GWCFXTLKSA-N 2 2 249.314 1.635 20 5 BDBDLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000903823383 584804606 /nfs/dbraw/zinc/80/46/06/584804606.db2.gz FYXVSZLPOBCELC-GFCCVEGCSA-N 2 2 249.314 1.682 20 5 BDBDLP C[C@H](C[N+](C)(C)C)OCc1c[nH+]cn1C ZINC001222601205 972606215 /nfs/dbraw/zinc/60/62/15/972606215.db2.gz ZNJQTDQZWNBJPT-SNVBAGLBSA-N 2 2 212.317 1.031 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043327079 343051320 /nfs/dbraw/zinc/05/13/20/343051320.db2.gz JLSPNBGQHBIPDJ-LLVKDONJSA-N 2 2 235.287 1.436 20 5 BDBDLP C[C@H](C[NH3+])[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000383018333 351166499 /nfs/dbraw/zinc/16/64/99/351166499.db2.gz LYCHLCWNVFGHFO-SNVBAGLBSA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@H](C[NH3+])[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000383018333 351166502 /nfs/dbraw/zinc/16/65/02/351166502.db2.gz LYCHLCWNVFGHFO-SNVBAGLBSA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423231533 192643041 /nfs/dbraw/zinc/64/30/41/192643041.db2.gz GSLWSCMLQBATLF-ZYHUDNBSSA-N 2 2 249.314 1.997 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414974183 386004174 /nfs/dbraw/zinc/00/41/74/386004174.db2.gz DCQVRDCBDFPBBP-LLVKDONJSA-N 2 2 237.303 1.730 20 5 BDBDLP O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107574181 387033627 /nfs/dbraw/zinc/03/36/27/387033627.db2.gz PMGMGBRDXBICEO-TXEJJXNPSA-N 2 2 247.298 1.246 20 5 BDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107574181 387033631 /nfs/dbraw/zinc/03/36/31/387033631.db2.gz PMGMGBRDXBICEO-TXEJJXNPSA-N 2 2 247.298 1.246 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000347151085 387516561 /nfs/dbraw/zinc/51/65/61/387516561.db2.gz ZIXZLBJCNDQXDY-JTQLQIEISA-N 2 2 237.303 1.682 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000347151085 387516566 /nfs/dbraw/zinc/51/65/66/387516566.db2.gz ZIXZLBJCNDQXDY-JTQLQIEISA-N 2 2 237.303 1.682 20 5 BDBDLP C[C@H](C[NH3+])[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347034789 387842558 /nfs/dbraw/zinc/84/25/58/387842558.db2.gz CNJUVXJHYRTKJN-OKPNEXGHSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@H](C[NH3+])[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000347034789 387842561 /nfs/dbraw/zinc/84/25/61/387842561.db2.gz CNJUVXJHYRTKJN-OKPNEXGHSA-N 2 2 249.314 1.887 20 5 BDBDLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422948931 388686726 /nfs/dbraw/zinc/68/67/26/388686726.db2.gz SGQRIMNAZKBFNO-NEPJUHHUSA-N 2 2 235.287 1.564 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423372586 388691646 /nfs/dbraw/zinc/69/16/46/388691646.db2.gz RERYEQVOXZTGEM-DTWKUNHWSA-N 2 2 223.276 1.593 20 5 BDBDLP C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261549774 135188696 /nfs/dbraw/zinc/18/86/96/135188696.db2.gz KFJSAHYFFSZCSE-GXFFZTMASA-N 2 2 249.314 1.416 20 5 BDBDLP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261549774 135188697 /nfs/dbraw/zinc/18/86/97/135188697.db2.gz KFJSAHYFFSZCSE-GXFFZTMASA-N 2 2 249.314 1.416 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414949546 398123756 /nfs/dbraw/zinc/12/37/56/398123756.db2.gz ZVAMSEODRKEZJZ-ZETCQYMHSA-N 2 2 243.694 1.685 20 5 BDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000122040282 173034810 /nfs/dbraw/zinc/03/48/10/173034810.db2.gz CRSYGYDBRGVXBZ-CYBMUJFWSA-N 2 2 249.314 1.779 20 5 BDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000122040282 173034811 /nfs/dbraw/zinc/03/48/11/173034811.db2.gz CRSYGYDBRGVXBZ-CYBMUJFWSA-N 2 2 249.314 1.779 20 5 BDBDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953229 586849051 /nfs/dbraw/zinc/84/90/51/586849051.db2.gz XRDLRSFOQMKREQ-MRVPVSSYSA-N 2 2 238.291 1.047 20 5 BDBDLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246979431 973737294 /nfs/dbraw/zinc/73/72/94/973737294.db2.gz AEKBRUUGKPQQTC-TVQRCGJNSA-N 2 2 249.314 1.341 20 5 BDBDLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246979431 973737305 /nfs/dbraw/zinc/73/73/05/973737305.db2.gz AEKBRUUGKPQQTC-TVQRCGJNSA-N 2 2 249.314 1.341 20 5 BDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC001173213191 975076232 /nfs/dbraw/zinc/07/62/32/975076232.db2.gz GDNMKSGFIOORDW-PWSUYJOCSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC001173213191 975076239 /nfs/dbraw/zinc/07/62/39/975076239.db2.gz GDNMKSGFIOORDW-PWSUYJOCSA-N 2 2 249.314 1.559 20 5 BDBDLP Cc1c([C@H](C)[NH2+]C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591580645 347677785 /nfs/dbraw/zinc/67/77/85/347677785.db2.gz DPHAHVJMJKYOAZ-SCZZXKLOSA-N 2 2 237.303 1.901 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000600680533 371696731 /nfs/dbraw/zinc/69/67/31/371696731.db2.gz BDPIGAUAYUWNTK-CMPLNLGQSA-N 2 2 249.314 1.743 20 5 BDBDLP C[C@H](C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000235455658 384406270 /nfs/dbraw/zinc/40/62/70/384406270.db2.gz HVQBORUZYIHZOB-MRVPVSSYSA-N 2 2 209.249 1.032 20 5 BDBDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000043327197 384766051 /nfs/dbraw/zinc/76/60/51/384766051.db2.gz ONXLDCQVQYDUAP-CMPLNLGQSA-N 2 2 249.314 1.997 20 5 BDBDLP [NH3+][C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414902537 387600280 /nfs/dbraw/zinc/60/02/80/387600280.db2.gz YOQGDUDSXBAUAY-NSHDSACASA-N 2 2 235.287 1.422 20 5 BDBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414922773 387607859 /nfs/dbraw/zinc/60/78/59/387607859.db2.gz GMRVULNVPWAWEE-MFKMUULPSA-N 2 2 249.314 1.682 20 5 BDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C1 ZINC000423217607 388687723 /nfs/dbraw/zinc/68/77/23/388687723.db2.gz SDQTUCXUHUUWOF-CMPLNLGQSA-N 2 2 249.314 1.477 20 5 BDBDLP C[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423234991 388689293 /nfs/dbraw/zinc/68/92/93/388689293.db2.gz AFVDPPCYDSUHHX-JTQLQIEISA-N 2 2 237.303 1.335 20 5 BDBDLP C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000261577849 135218903 /nfs/dbraw/zinc/21/89/03/135218903.db2.gz LLPACICQNAPHOL-DTWKUNHWSA-N 2 2 223.276 1.420 20 5 BDBDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000396712700 323653497 /nfs/dbraw/zinc/65/34/97/323653497.db2.gz RQOVDMBRUNETKN-GXFFZTMASA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902414905 584600084 /nfs/dbraw/zinc/60/00/84/584600084.db2.gz GCUWVYKBIQVNNC-SECBINFHSA-N 2 2 235.287 1.737 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873251093 590008566 /nfs/dbraw/zinc/00/85/66/590008566.db2.gz IXMNQWRAECFAMI-NWDGAFQWSA-N 2 2 249.314 1.873 20 5 BDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094088136 635181875 /nfs/dbraw/zinc/18/18/75/635181875.db2.gz DHRRCBQOVDIEFF-NSHDSACASA-N 2 2 235.287 1.089 20 5 BDBDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC[N+](=O)[O-] ZINC001353267540 982811460 /nfs/dbraw/zinc/81/14/60/982811460.db2.gz SNAKNBWUWVFVOT-NSHDSACASA-N 2 2 229.324 1.117 20 5 BDBDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC[N+](=O)[O-] ZINC001353267540 982811462 /nfs/dbraw/zinc/81/14/62/982811462.db2.gz SNAKNBWUWVFVOT-NSHDSACASA-N 2 2 229.324 1.117 20 5 BDBDLP C[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414823575 191588265 /nfs/dbraw/zinc/58/82/65/191588265.db2.gz IJAWXSJRLKXORY-UHFFFAOYSA-N 2 2 223.276 1.212 20 5 BDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[NH3+] ZINC000420367805 192225712 /nfs/dbraw/zinc/22/57/12/192225712.db2.gz ACJZKWBQJBOECF-SNVBAGLBSA-N 2 2 237.303 1.855 20 5 BDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC[NH3+] ZINC000420367805 192225714 /nfs/dbraw/zinc/22/57/14/192225714.db2.gz ACJZKWBQJBOECF-SNVBAGLBSA-N 2 2 237.303 1.855 20 5 BDBDLP CC[C@H]([NH2+]CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712730 364541720 /nfs/dbraw/zinc/54/17/20/364541720.db2.gz KYVGTKYCYIRVTG-NSHDSACASA-N 2 2 223.276 1.594 20 5 BDBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000235455449 384406587 /nfs/dbraw/zinc/40/65/87/384406587.db2.gz ZZOPYXUSAKLKBI-MRVPVSSYSA-N 2 2 209.249 1.032 20 5 BDBDLP CC[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414824214 387269722 /nfs/dbraw/zinc/26/97/22/387269722.db2.gz JVHBHQITUHTKMN-UHFFFAOYSA-N 2 2 223.276 1.294 20 5 BDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC[NH2+]C1 ZINC000414880734 387581087 /nfs/dbraw/zinc/58/10/87/387581087.db2.gz KOHBPUPHCBJNJV-PYEVWLCESA-N 2 2 247.298 1.560 20 5 BDBDLP C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415015410 387665811 /nfs/dbraw/zinc/66/58/11/387665811.db2.gz YRWRVGDPHUOHKO-NKWVEPMBSA-N 2 2 229.305 1.482 20 5 BDBDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423182266 387967935 /nfs/dbraw/zinc/96/79/35/387967935.db2.gz GPOHWSUXLYWEDT-PWSUYJOCSA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268793 388689365 /nfs/dbraw/zinc/68/93/65/388689365.db2.gz DYRKTWCAZIMZPY-TVQRCGJNSA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423431186 388693066 /nfs/dbraw/zinc/69/30/66/388693066.db2.gz LNRAEGVSHAILGW-KMLBCRHOSA-N 2 2 247.298 1.463 20 5 BDBDLP C[NH2+]C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000261577764 536440194 /nfs/dbraw/zinc/44/01/94/536440194.db2.gz OPICKRLUAOSXQZ-UHFFFAOYSA-N 2 2 249.314 1.779 20 5 BDBDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CC[N+](=O)[O-])C1 ZINC000899870499 584244465 /nfs/dbraw/zinc/24/44/65/584244465.db2.gz HVZGCBXQTMUKGP-TXEJJXNPSA-N 2 2 243.351 1.221 20 5 BDBDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC[N+](=O)[O-])C1 ZINC000899870499 584244466 /nfs/dbraw/zinc/24/44/66/584244466.db2.gz HVZGCBXQTMUKGP-TXEJJXNPSA-N 2 2 243.351 1.221 20 5 BDBDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971332 586859427 /nfs/dbraw/zinc/85/94/27/586859427.db2.gz CJRNIXGCQDNBJN-SFYZADRCSA-N 2 2 238.291 1.175 20 5 BDBDLP C[C@H]([NH3+])C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000310303924 632717017 /nfs/dbraw/zinc/71/70/17/632717017.db2.gz RCBNOUHNDMQAMQ-JTQLQIEISA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@H]([NH3+])C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000310303924 632717021 /nfs/dbraw/zinc/71/70/21/632717021.db2.gz RCBNOUHNDMQAMQ-JTQLQIEISA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328893 371747280 /nfs/dbraw/zinc/74/72/80/371747280.db2.gz BUDAUDDDOMENRN-CMPLNLGQSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328893 371747285 /nfs/dbraw/zinc/74/72/85/371747285.db2.gz BUDAUDDDOMENRN-CMPLNLGQSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328895 371748429 /nfs/dbraw/zinc/74/84/29/371748429.db2.gz BUDAUDDDOMENRN-PWSUYJOCSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328895 371748436 /nfs/dbraw/zinc/74/84/36/371748436.db2.gz BUDAUDDDOMENRN-PWSUYJOCSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414922772 387607248 /nfs/dbraw/zinc/60/72/48/387607248.db2.gz GMRVULNVPWAWEE-GXFFZTMASA-N 2 2 249.314 1.682 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414978478 387626501 /nfs/dbraw/zinc/62/65/01/387626501.db2.gz LWIIUYFXTJRYOJ-SNVBAGLBSA-N 2 2 223.276 1.422 20 5 BDBDLP C[N@H+](CC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000054419297 388520259 /nfs/dbraw/zinc/52/02/59/388520259.db2.gz NMDPODMTVPBTMM-UHFFFAOYSA-N 2 2 223.276 1.028 20 5 BDBDLP C[N@@H+](CC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000054419297 388520261 /nfs/dbraw/zinc/52/02/61/388520261.db2.gz NMDPODMTVPBTMM-UHFFFAOYSA-N 2 2 223.276 1.028 20 5 BDBDLP C[C@@H]([NH2+]CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000037712755 388586828 /nfs/dbraw/zinc/58/68/28/388586828.db2.gz QGHMDTLYBWEQHU-MRVPVSSYSA-N 2 2 209.249 1.204 20 5 BDBDLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422948933 388687327 /nfs/dbraw/zinc/68/73/27/388687327.db2.gz SGQRIMNAZKBFNO-RYUDHWBXSA-N 2 2 235.287 1.564 20 5 BDBDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423225029 388689641 /nfs/dbraw/zinc/68/96/41/388689641.db2.gz KZPYXHWXWFCVPI-SNVBAGLBSA-N 2 2 237.303 1.773 20 5 BDBDLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423328052 388691656 /nfs/dbraw/zinc/69/16/56/388691656.db2.gz RWVMGNPONQGFQO-NOZJJQNGSA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423450201 388693272 /nfs/dbraw/zinc/69/32/72/388693272.db2.gz SQUFZBXVPMJACC-GUBZILKMSA-N 2 2 237.303 1.981 20 5 BDBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000400550473 533450466 /nfs/dbraw/zinc/45/04/66/533450466.db2.gz XHXHWXMMNHXWHX-ZWNOBZJWSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339053 176307516 /nfs/dbraw/zinc/30/75/16/176307516.db2.gz HJVCSUCTHJQBFI-PWSUYJOCSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339053 176307517 /nfs/dbraw/zinc/30/75/17/176307517.db2.gz HJVCSUCTHJQBFI-PWSUYJOCSA-N 2 2 249.314 1.764 20 5 BDBDLP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414842526 323151691 /nfs/dbraw/zinc/15/16/91/323151691.db2.gz IQQAMTVKRXTXAH-LBPRGKRZSA-N 2 2 249.314 1.745 20 5 BDBDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC[N+](=O)[O-] ZINC000791051632 583383855 /nfs/dbraw/zinc/38/38/55/583383855.db2.gz HFXOBLSTUDNJGW-LLVKDONJSA-N 2 2 229.324 1.069 20 5 BDBDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC[N+](=O)[O-] ZINC000791051632 583383857 /nfs/dbraw/zinc/38/38/57/583383857.db2.gz HFXOBLSTUDNJGW-LLVKDONJSA-N 2 2 229.324 1.069 20 5 BDBDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC[N+](=O)[O-] ZINC000791051632 583383861 /nfs/dbraw/zinc/38/38/61/583383861.db2.gz HFXOBLSTUDNJGW-LLVKDONJSA-N 2 2 229.324 1.069 20 5 BDBDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC[N+](=O)[O-] ZINC000791051632 583383864 /nfs/dbraw/zinc/38/38/64/583383864.db2.gz HFXOBLSTUDNJGW-LLVKDONJSA-N 2 2 229.324 1.069 20 5 BDBDLP O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894300491 583415062 /nfs/dbraw/zinc/41/50/62/583415062.db2.gz ULWUZRQLKCGVNB-UHFFFAOYSA-N 2 2 246.270 1.650 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000903960276 584828063 /nfs/dbraw/zinc/82/80/63/584828063.db2.gz BSJJZKNCNQFTBH-ZYHUDNBSSA-N 2 2 249.314 1.601 20 5 BDBDLP C[C@@H]([NH3+])C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000310303928 634113162 /nfs/dbraw/zinc/11/31/62/634113162.db2.gz RCBNOUHNDMQAMQ-SNVBAGLBSA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@@H]([NH3+])C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000310303928 634113166 /nfs/dbraw/zinc/11/31/66/634113166.db2.gz RCBNOUHNDMQAMQ-SNVBAGLBSA-N 2 2 237.303 1.416 20 5 BDBDLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168955425 969304564 /nfs/dbraw/zinc/30/45/64/969304564.db2.gz AKZFWRSEEDYBTJ-RYUDHWBXSA-N 2 2 243.351 1.363 20 5 BDBDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000591581455 347678761 /nfs/dbraw/zinc/67/87/61/347678761.db2.gz XBQCXFNLXCCUKJ-DTWKUNHWSA-N 2 2 223.276 1.593 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000596107102 348440976 /nfs/dbraw/zinc/44/09/76/348440976.db2.gz QODQPOWCKKDWHC-SECBINFHSA-N 2 2 223.276 1.292 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596653954 348607649 /nfs/dbraw/zinc/60/76/49/348607649.db2.gz MPXCCCDIIWSURM-ZJUUUORDSA-N 2 2 237.303 1.853 20 5 BDBDLP C[C@@H]([NH3+])C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420365811 192224235 /nfs/dbraw/zinc/22/42/35/192224235.db2.gz SRXHZRCMUBUUMZ-SNVBAGLBSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]([NH3+])C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420365811 192224237 /nfs/dbraw/zinc/22/42/37/192224237.db2.gz SRXHZRCMUBUUMZ-SNVBAGLBSA-N 2 2 249.314 1.906 20 5 BDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[NH3+] ZINC000420367803 192224960 /nfs/dbraw/zinc/22/49/60/192224960.db2.gz ACJZKWBQJBOECF-JTQLQIEISA-N 2 2 237.303 1.855 20 5 BDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC[NH3+] ZINC000420367803 192224962 /nfs/dbraw/zinc/22/49/62/192224962.db2.gz ACJZKWBQJBOECF-JTQLQIEISA-N 2 2 237.303 1.855 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000041063670 374102671 /nfs/dbraw/zinc/10/26/71/374102671.db2.gz FKYZRFMLKRFBEQ-UHFFFAOYSA-N 2 2 246.270 1.581 20 5 BDBDLP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414808863 387139473 /nfs/dbraw/zinc/13/94/73/387139473.db2.gz UNWZOKIHXUUYQT-UHFFFAOYSA-N 2 2 237.303 1.730 20 5 BDBDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414954945 387616043 /nfs/dbraw/zinc/61/60/43/387616043.db2.gz SZUDTKMAGBXHAM-PWSUYJOCSA-N 2 2 249.314 1.825 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414987313 387630820 /nfs/dbraw/zinc/63/08/20/387630820.db2.gz YUUNRADQNYXAEY-QMMMGPOBSA-N 2 2 229.305 1.483 20 5 BDBDLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422948939 388687411 /nfs/dbraw/zinc/68/74/11/388687411.db2.gz SIGOSCPJKCTEQO-GHMZBOCLSA-N 2 2 235.287 1.564 20 5 BDBDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268794 388689307 /nfs/dbraw/zinc/68/93/07/388689307.db2.gz DYRKTWCAZIMZPY-ZANVPECISA-N 2 2 249.314 1.983 20 5 BDBDLP C[NH2+]CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423226779 388690311 /nfs/dbraw/zinc/69/03/11/388690311.db2.gz SFLUDGKDDTWVAG-SNVBAGLBSA-N 2 2 237.303 1.773 20 5 BDBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000424330498 388696019 /nfs/dbraw/zinc/69/60/19/388696019.db2.gz IENXRSIRJYMLQD-CHWSQXEVSA-N 2 2 249.314 1.954 20 5 BDBDLP C[C@H]([NH3+])C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000261564221 135206302 /nfs/dbraw/zinc/20/63/02/135206302.db2.gz XPHQIMWSUAKDTL-JTQLQIEISA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@H]([NH3+])C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000261564221 135206303 /nfs/dbraw/zinc/20/63/03/135206303.db2.gz XPHQIMWSUAKDTL-JTQLQIEISA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251671920 177266967 /nfs/dbraw/zinc/26/69/67/177266967.db2.gz HJVCSUCTHJQBFI-CMPLNLGQSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251671920 177266968 /nfs/dbraw/zinc/26/69/68/177266968.db2.gz HJVCSUCTHJQBFI-CMPLNLGQSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@H]([NH2+]CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712692 712744590 /nfs/dbraw/zinc/74/45/90/712744590.db2.gz ZBOITDFYGIUFAL-QMMMGPOBSA-N 2 2 209.249 1.204 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000596104588 348440177 /nfs/dbraw/zinc/44/01/77/348440177.db2.gz GRTWYWZZSYWLTJ-ZRQQLDRUSA-N 2 2 249.314 1.806 20 5 BDBDLP C[NH+](C)C1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000582555792 357343596 /nfs/dbraw/zinc/34/35/96/357343596.db2.gz FZQIJBYQSVILSX-UHFFFAOYSA-N 2 2 249.314 1.777 20 5 BDBDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000235530820 384433895 /nfs/dbraw/zinc/43/38/95/384433895.db2.gz UKXSQOKUWBAEII-JQWIXIFHSA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423011355 384493490 /nfs/dbraw/zinc/49/34/90/384493490.db2.gz AXKZJOGBVYSTDI-VHSXEESVSA-N 2 2 249.314 1.853 20 5 BDBDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000396633933 385714344 /nfs/dbraw/zinc/71/43/44/385714344.db2.gz JSXOVQGLPHBIOX-ZWNOBZJWSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414922771 386593422 /nfs/dbraw/zinc/59/34/22/386593422.db2.gz GMRVULNVPWAWEE-GWCFXTLKSA-N 2 2 249.314 1.682 20 5 BDBDLP [NH3+]C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414811060 387139194 /nfs/dbraw/zinc/13/91/94/387139194.db2.gz WACBEUPUMBZIJP-GFCCVEGCSA-N 2 2 235.287 1.422 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000347111422 387451927 /nfs/dbraw/zinc/45/19/27/387451927.db2.gz QFXOZTDOCPARFK-CYBMUJFWSA-N 2 2 249.314 1.826 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000347111422 387451930 /nfs/dbraw/zinc/45/19/30/387451930.db2.gz QFXOZTDOCPARFK-CYBMUJFWSA-N 2 2 249.314 1.826 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415006668 387651245 /nfs/dbraw/zinc/65/12/45/387651245.db2.gz KUVYATSCWWODQV-UWVGGRQHSA-N 2 2 237.303 1.729 20 5 BDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C1 ZINC000423217608 388688081 /nfs/dbraw/zinc/68/80/81/388688081.db2.gz SDQTUCXUHUUWOF-JQWIXIFHSA-N 2 2 249.314 1.477 20 5 BDBDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423269812 388689937 /nfs/dbraw/zinc/68/99/37/388689937.db2.gz FXAXFELLMRNYKA-ZANVPECISA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000400550470 533450878 /nfs/dbraw/zinc/45/08/78/533450878.db2.gz XHXHWXMMNHXWHX-MFKMUULPSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261553022 135191831 /nfs/dbraw/zinc/19/18/31/135191831.db2.gz NPVHWOZIRLKRBA-UTLUCORTSA-N 2 2 237.303 1.981 20 5 BDBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261553020 135192328 /nfs/dbraw/zinc/19/23/28/135192328.db2.gz NPVHWOZIRLKRBA-BBBLOLIVSA-N 2 2 237.303 1.981 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000231480167 345752587 /nfs/dbraw/zinc/75/25/87/345752587.db2.gz GFCKWHYLPHSWIC-MWLCHTKSSA-N 2 2 237.303 1.983 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000596653953 348607599 /nfs/dbraw/zinc/60/75/99/348607599.db2.gz MPXCCCDIIWSURM-VHSXEESVSA-N 2 2 237.303 1.853 20 5 BDBDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414959682 352381919 /nfs/dbraw/zinc/38/19/19/352381919.db2.gz QCWXPGNEUZNOJN-SNVBAGLBSA-N 2 2 237.303 1.682 20 5 BDBDLP CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000600775473 371700449 /nfs/dbraw/zinc/70/04/49/371700449.db2.gz OAJRITXJKLYOCR-ALCCZGGFSA-N 2 2 249.314 1.889 20 5 BDBDLP CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000600775473 371700456 /nfs/dbraw/zinc/70/04/56/371700456.db2.gz OAJRITXJKLYOCR-ALCCZGGFSA-N 2 2 249.314 1.889 20 5 BDBDLP [NH3+][C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041029953 374054354 /nfs/dbraw/zinc/05/43/54/374054354.db2.gz HTKZDQHZSKXYEE-GFCCVEGCSA-N 2 2 249.314 1.560 20 5 BDBDLP [NH3+][C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041029953 374054366 /nfs/dbraw/zinc/05/43/66/374054366.db2.gz HTKZDQHZSKXYEE-GFCCVEGCSA-N 2 2 249.314 1.560 20 5 BDBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414796220 387069881 /nfs/dbraw/zinc/06/98/81/387069881.db2.gz NXMRJCJHEUORRL-GFCCVEGCSA-N 2 2 237.303 1.668 20 5 BDBDLP CC[NH2+]CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414830285 387271848 /nfs/dbraw/zinc/27/18/48/387271848.db2.gz NVERSUDVZGNKJE-UHFFFAOYSA-N 2 2 237.303 1.602 20 5 BDBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414921285 387604782 /nfs/dbraw/zinc/60/47/82/387604782.db2.gz DIZCLZSXBBNRTQ-GWCFXTLKSA-N 2 2 249.314 1.682 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415030815 387666887 /nfs/dbraw/zinc/66/68/87/387666887.db2.gz FJNCWKKESXUZHQ-PJXYFTJBSA-N 2 2 247.298 1.211 20 5 BDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C1 ZINC000423217609 388688629 /nfs/dbraw/zinc/68/86/29/388688629.db2.gz SDQTUCXUHUUWOF-PWSUYJOCSA-N 2 2 249.314 1.477 20 5 BDBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000261577850 135219021 /nfs/dbraw/zinc/21/90/21/135219021.db2.gz LLPACICQNAPHOL-IUCAKERBSA-N 2 2 223.276 1.420 20 5 BDBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000261577848 135219232 /nfs/dbraw/zinc/21/92/32/135219232.db2.gz LLPACICQNAPHOL-BDAKNGLRSA-N 2 2 223.276 1.420 20 5 BDBDLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261546758 135239485 /nfs/dbraw/zinc/23/94/85/135239485.db2.gz HFWQUYJGJMXSHP-VIFPVBQESA-N 2 2 237.303 1.983 20 5 BDBDLP C[NH2+]CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000124748809 173345813 /nfs/dbraw/zinc/34/58/13/173345813.db2.gz QSJYAAXRCVYPQK-UHFFFAOYSA-N 2 2 237.303 1.636 20 5 BDBDLP C[NH2+]CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000124748809 173345815 /nfs/dbraw/zinc/34/58/15/173345815.db2.gz QSJYAAXRCVYPQK-UHFFFAOYSA-N 2 2 237.303 1.636 20 5 BDBDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014224 176276696 /nfs/dbraw/zinc/27/66/96/176276696.db2.gz KFIQJDUNZNBFRE-ZWNOBZJWSA-N 2 2 249.314 1.635 20 5 BDBDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014224 176276698 /nfs/dbraw/zinc/27/66/98/176276698.db2.gz KFIQJDUNZNBFRE-ZWNOBZJWSA-N 2 2 249.314 1.635 20 5 BDBDLP C[NH2+]C[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414842480 323151643 /nfs/dbraw/zinc/15/16/43/323151643.db2.gz OWYGKCYTCJJFRW-QMMMGPOBSA-N 2 2 243.332 1.601 20 5 BDBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000400550467 533924464 /nfs/dbraw/zinc/92/44/64/533924464.db2.gz XHXHWXMMNHXWHX-GXFFZTMASA-N 2 2 249.314 1.825 20 5 BDBDLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000903823384 584804419 /nfs/dbraw/zinc/80/44/19/584804419.db2.gz FYXVSZLPOBCELC-LBPRGKRZSA-N 2 2 249.314 1.682 20 5 BDBDLP C[C@@H]([NH2+]CC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000037712693 712744959 /nfs/dbraw/zinc/74/49/59/712744959.db2.gz ZBOITDFYGIUFAL-MRVPVSSYSA-N 2 2 209.249 1.204 20 5 BDBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC001168959672 969309102 /nfs/dbraw/zinc/30/91/02/969309102.db2.gz XVIJBGHUSXBGFO-RYUDHWBXSA-N 2 2 241.335 1.117 20 5 BDBDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591577201 347676647 /nfs/dbraw/zinc/67/66/47/347676647.db2.gz ANLRYYPMFNKFLD-JTQLQIEISA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591577202 347676998 /nfs/dbraw/zinc/67/69/98/347676998.db2.gz ANLRYYPMFNKFLD-SNVBAGLBSA-N 2 2 249.314 1.997 20 5 BDBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000592477213 347791514 /nfs/dbraw/zinc/79/15/14/347791514.db2.gz SMJFHDHVORWBDG-NSHDSACASA-N 2 2 249.314 1.636 20 5 BDBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC[NH2+]C1 ZINC000592477213 347791516 /nfs/dbraw/zinc/79/15/16/347791516.db2.gz SMJFHDHVORWBDG-NSHDSACASA-N 2 2 249.314 1.636 20 5 BDBDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000415033204 191657527 /nfs/dbraw/zinc/65/75/27/191657527.db2.gz GSNLMPMFBVYOQU-GFCCVEGCSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000235462363 384408673 /nfs/dbraw/zinc/40/86/73/384408673.db2.gz BNCNDUCLHWYKMW-RKDXNWHRSA-N 2 2 223.276 1.593 20 5 BDBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414801753 386603941 /nfs/dbraw/zinc/60/39/41/386603941.db2.gz USBFVSSFAZJEGX-LLVKDONJSA-N 2 2 237.303 1.668 20 5 BDBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414801755 387134568 /nfs/dbraw/zinc/13/45/68/387134568.db2.gz USBFVSSFAZJEGX-NSHDSACASA-N 2 2 237.303 1.668 20 5 BDBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414921293 387605694 /nfs/dbraw/zinc/60/56/94/387605694.db2.gz DIZCLZSXBBNRTQ-MFKMUULPSA-N 2 2 249.314 1.682 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414948486 387613977 /nfs/dbraw/zinc/61/39/77/387613977.db2.gz XIWZDUBTBPSWEW-ZETCQYMHSA-N 2 2 227.239 1.171 20 5 BDBDLP C[C@@H](C[NH3+])[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347034790 387842649 /nfs/dbraw/zinc/84/26/49/387842649.db2.gz CNJUVXJHYRTKJN-XOIDGJRKSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@@H](C[NH3+])[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000347034790 387842652 /nfs/dbraw/zinc/84/26/52/387842652.db2.gz CNJUVXJHYRTKJN-XOIDGJRKSA-N 2 2 249.314 1.887 20 5 BDBDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422839540 388687379 /nfs/dbraw/zinc/68/73/79/388687379.db2.gz QMFJUPKNJODENC-DGCLKSJQSA-N 2 2 249.314 1.997 20 5 BDBDLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423210216 388688515 /nfs/dbraw/zinc/68/85/15/388688515.db2.gz WLAAFPIBQXBKMZ-GHMZBOCLSA-N 2 2 249.314 1.916 20 5 BDBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414937812 491114307 /nfs/dbraw/zinc/11/43/07/491114307.db2.gz XIWZDUBTBPSWEW-SSDOTTSWSA-N 2 2 227.239 1.171 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841063172 584126874 /nfs/dbraw/zinc/12/68/74/584126874.db2.gz JKQBXQLQLMPJSA-ZETCQYMHSA-N 2 2 243.694 1.685 20 5 BDBDLP C[C@H]([NH3+])C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000863653839 589308070 /nfs/dbraw/zinc/30/80/70/589308070.db2.gz QOIIRHMWXQFKND-ZRQQLDRUSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@H]([NH3+])C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000863653839 589308071 /nfs/dbraw/zinc/30/80/71/589308071.db2.gz QOIIRHMWXQFKND-ZRQQLDRUSA-N 2 2 249.314 1.887 20 5 BDBDLP [NH3+]CCc1[nH+]ccn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967512 969321365 /nfs/dbraw/zinc/32/13/65/969321365.db2.gz QHUSPVDDRVDADU-ZJUUUORDSA-N 2 2 238.291 1.002 20 5 BDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001254540396 969737534 /nfs/dbraw/zinc/73/75/34/969737534.db2.gz STNAGYWQDGMSCN-JMJZKYOTSA-N 2 2 235.287 1.215 20 5 BDBDLP C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037248569 361777061 /nfs/dbraw/zinc/77/70/61/361777061.db2.gz JVHVGAASBFXUSS-UHFFFAOYSA-N 2 2 249.314 1.779 20 5 BDBDLP C[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591581565 347678734 /nfs/dbraw/zinc/67/87/34/347678734.db2.gz ZFRVFDYOWDPSIJ-ZANVPECISA-N 2 2 249.314 1.909 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000596105251 348440401 /nfs/dbraw/zinc/44/04/01/348440401.db2.gz ILBILIGSHLNDEB-VIFPVBQESA-N 2 2 223.276 1.292 20 5 BDBDLP CC[N@H+](CC[NH3+])Cc1cccc([N+](=O)[O-])c1C ZINC000305914530 350099309 /nfs/dbraw/zinc/09/93/09/350099309.db2.gz AQBJUWRKGFNRIW-UHFFFAOYSA-N 2 2 237.303 1.684 20 5 BDBDLP CC[N@@H+](CC[NH3+])Cc1cccc([N+](=O)[O-])c1C ZINC000305914530 350099314 /nfs/dbraw/zinc/09/93/14/350099314.db2.gz AQBJUWRKGFNRIW-UHFFFAOYSA-N 2 2 237.303 1.684 20 5 BDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000129015136 350961183 /nfs/dbraw/zinc/96/11/83/350961183.db2.gz SEEPCEUODUGQAX-JQWIXIFHSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000129015136 350961187 /nfs/dbraw/zinc/96/11/87/350961187.db2.gz SEEPCEUODUGQAX-JQWIXIFHSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000129014540 350961243 /nfs/dbraw/zinc/96/12/43/350961243.db2.gz SEEPCEUODUGQAX-ZYHUDNBSSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000129014540 350961244 /nfs/dbraw/zinc/96/12/44/350961244.db2.gz SEEPCEUODUGQAX-ZYHUDNBSSA-N 2 2 249.314 1.906 20 5 BDBDLP CC1(C)C[C@H]([NH2+]CC[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000423175440 192608685 /nfs/dbraw/zinc/60/86/85/192608685.db2.gz ALDWTEXTMJWZIE-LBPRGKRZSA-N 2 2 249.314 1.866 20 5 BDBDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385176520 356918069 /nfs/dbraw/zinc/91/80/69/356918069.db2.gz ZQYMINQLYWGXPZ-GWCFXTLKSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000385176520 356918073 /nfs/dbraw/zinc/91/80/73/356918073.db2.gz ZQYMINQLYWGXPZ-GWCFXTLKSA-N 2 2 249.314 1.559 20 5 BDBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342126811 181332715 /nfs/dbraw/zinc/33/27/15/181332715.db2.gz JRCNOYLCFPTQIB-UHFFFAOYSA-N 2 2 235.287 1.566 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107578978 369353813 /nfs/dbraw/zinc/35/38/13/369353813.db2.gz BQBPJBZVIHMZBX-RYUDHWBXSA-N 2 2 247.298 1.246 20 5 BDBDLP C[NH+](C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472325 383981728 /nfs/dbraw/zinc/98/17/28/383981728.db2.gz AGRQXKAZWBTIFW-UHFFFAOYSA-N 2 2 243.332 1.698 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000235139270 384203433 /nfs/dbraw/zinc/20/34/33/384203433.db2.gz FCTTUFIVASHQNU-QMMMGPOBSA-N 2 2 209.249 1.032 20 5 BDBDLP [NH3+]C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414811061 386634959 /nfs/dbraw/zinc/63/49/59/386634959.db2.gz WACBEUPUMBZIJP-LBPRGKRZSA-N 2 2 235.287 1.422 20 5 BDBDLP CC[NH2+]CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414836379 386739240 /nfs/dbraw/zinc/73/92/40/386739240.db2.gz WEZLQHYZPPKPEE-ALCCZGGFSA-N 2 2 249.314 1.807 20 5 BDBDLP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414797350 387070399 /nfs/dbraw/zinc/07/03/99/387070399.db2.gz INSFPTJFDPFXRP-GFCCVEGCSA-N 2 2 249.314 1.730 20 5 BDBDLP CCC[NH2+]CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414866424 387568588 /nfs/dbraw/zinc/56/85/88/387568588.db2.gz FEUWGDKQYDWBCX-UHFFFAOYSA-N 2 2 237.303 1.684 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414867990 387569081 /nfs/dbraw/zinc/56/90/81/387569081.db2.gz PKNOQEQYHAQRKZ-GFCCVEGCSA-N 2 2 249.314 1.745 20 5 BDBDLP CC1(C)C[C@@H]([NH2+]CC[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000423175439 388688562 /nfs/dbraw/zinc/68/85/62/388688562.db2.gz ALDWTEXTMJWZIE-GFCCVEGCSA-N 2 2 249.314 1.866 20 5 BDBDLP C[NH2+]CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423228526 388690397 /nfs/dbraw/zinc/69/03/97/388690397.db2.gz ZYSHRDWSLWNDJT-VIFPVBQESA-N 2 2 223.276 1.465 20 5 BDBDLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423314165 388691749 /nfs/dbraw/zinc/69/17/49/388691749.db2.gz GRXMENKDCNIPLY-ZANVPECISA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000423450199 388692233 /nfs/dbraw/zinc/69/22/33/388692233.db2.gz SQUFZBXVPMJACC-AEJSXWLSSA-N 2 2 237.303 1.981 20 5 BDBDLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000423433737 388692544 /nfs/dbraw/zinc/69/25/44/388692544.db2.gz NLKKXYILELAHDW-HWNAMQAFSA-N 2 2 247.298 1.463 20 5 BDBDLP COc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414946218 398026440 /nfs/dbraw/zinc/02/64/40/398026440.db2.gz SBSAAVXYADAVRZ-QMMMGPOBSA-N 2 2 239.275 1.040 20 5 BDBDLP C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000791055810 585973743 /nfs/dbraw/zinc/97/37/43/585973743.db2.gz YVDPIBJRKVYIKB-GHMZBOCLSA-N 2 2 238.291 1.043 20 5 BDBDLP C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000791055810 585973744 /nfs/dbraw/zinc/97/37/44/585973744.db2.gz YVDPIBJRKVYIKB-GHMZBOCLSA-N 2 2 238.291 1.043 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000414980089 352417218 /nfs/dbraw/zinc/41/72/18/352417218.db2.gz OXQHAWMKISRBOI-LLVKDONJSA-N 2 2 237.303 1.730 20 5 BDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124552822 371197112 /nfs/dbraw/zinc/19/71/12/371197112.db2.gz IYSIGZXWVRWSCF-ZYHUDNBSSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124552822 371197116 /nfs/dbraw/zinc/19/71/16/371197116.db2.gz IYSIGZXWVRWSCF-ZYHUDNBSSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124553344 371197260 /nfs/dbraw/zinc/19/72/60/371197260.db2.gz IYSIGZXWVRWSCF-JQWIXIFHSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124553344 371197265 /nfs/dbraw/zinc/19/72/65/371197265.db2.gz IYSIGZXWVRWSCF-JQWIXIFHSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328896 371747571 /nfs/dbraw/zinc/74/75/71/371747571.db2.gz BUDAUDDDOMENRN-ZYHUDNBSSA-N 2 2 249.314 1.559 20 5 BDBDLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000601328896 371747577 /nfs/dbraw/zinc/74/75/77/371747577.db2.gz BUDAUDDDOMENRN-ZYHUDNBSSA-N 2 2 249.314 1.559 20 5 BDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123395962 384611211 /nfs/dbraw/zinc/61/12/11/384611211.db2.gz NNVZAGOUDUFZID-ZDUSSCGKSA-N 2 2 249.314 1.560 20 5 BDBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123395962 384611216 /nfs/dbraw/zinc/61/12/16/384611216.db2.gz NNVZAGOUDUFZID-ZDUSSCGKSA-N 2 2 249.314 1.560 20 5 BDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574280 387032101 /nfs/dbraw/zinc/03/21/01/387032101.db2.gz UKZDACONHWNZAW-TXEJJXNPSA-N 2 2 247.298 1.246 20 5 BDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574280 387032104 /nfs/dbraw/zinc/03/21/04/387032104.db2.gz UKZDACONHWNZAW-TXEJJXNPSA-N 2 2 247.298 1.246 20 5 BDBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107578971 387033116 /nfs/dbraw/zinc/03/31/16/387033116.db2.gz BQBPJBZVIHMZBX-TXEJJXNPSA-N 2 2 247.298 1.246 20 5 BDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107578971 387033120 /nfs/dbraw/zinc/03/31/20/387033120.db2.gz BQBPJBZVIHMZBX-TXEJJXNPSA-N 2 2 247.298 1.246 20 5 BDBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414813675 387231741 /nfs/dbraw/zinc/23/17/41/387231741.db2.gz YPFJLVXZOZBJOT-GFCCVEGCSA-N 2 2 235.287 1.422 20 5 BDBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414940375 387615184 /nfs/dbraw/zinc/61/51/84/387615184.db2.gz ZVAMSEODRKEZJZ-SSDOTTSWSA-N 2 2 243.694 1.685 20 5 BDBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000415015412 387664910 /nfs/dbraw/zinc/66/49/10/387664910.db2.gz YRWRVGDPHUOHKO-RNFRBKRXSA-N 2 2 229.305 1.482 20 5 BDBDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423231430 388689460 /nfs/dbraw/zinc/68/94/60/388689460.db2.gz GSLWSCMLQBATLF-CMPLNLGQSA-N 2 2 249.314 1.997 20 5 BDBDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423248506 388690105 /nfs/dbraw/zinc/69/01/05/388690105.db2.gz QUYPTYCWGUCLBT-SNVBAGLBSA-N 2 2 237.303 1.855 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817969639 586856547 /nfs/dbraw/zinc/85/65/47/586856547.db2.gz FQXKAJWAXJNRPS-JGVFFNPUSA-N 2 2 238.291 1.175 20 5 BDBDLP Cc1ccc([C@H](C)[NH2+]CC[NH3+])cc1[N+](=O)[O-] ZINC000037712674 712744777 /nfs/dbraw/zinc/74/47/77/712744777.db2.gz ARIQXSBWROQQNO-VIFPVBQESA-N 2 2 223.276 1.513 20 5 BDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967164 969320672 /nfs/dbraw/zinc/32/06/72/969320672.db2.gz NUGBVICSUYFHQT-TUAOUCFPSA-N 2 2 241.335 1.116 20 5 BDBDLP O=[N+]([O-])CC[NH2+]CCC[NH+]1CCCCCC1 ZINC001336738518 977896436 /nfs/dbraw/zinc/89/64/36/977896436.db2.gz ZJXJHIDMCQHHPJ-UHFFFAOYSA-N 2 2 229.324 1.119 20 5 BDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967164 969320666 /nfs/dbraw/zinc/32/06/66/969320666.db2.gz NUGBVICSUYFHQT-TUAOUCFPSA-N 2 2 241.335 1.116 20 5 BDBDLP C[C@@H](C[N+](C)(C)C)OCc1c[nH+]cn1C ZINC001222601201 972605776 /nfs/dbraw/zinc/60/57/76/972605776.db2.gz ZNJQTDQZWNBJPT-JTQLQIEISA-N 2 2 212.317 1.031 20 5 BDBDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000591581454 347678887 /nfs/dbraw/zinc/67/88/87/347678887.db2.gz XBQCXFNLXCCUKJ-BDAKNGLRSA-N 2 2 223.276 1.593 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000231480143 372036995 /nfs/dbraw/zinc/03/69/95/372036995.db2.gz GFCKWHYLPHSWIC-KOLCDFICSA-N 2 2 237.303 1.983 20 5 BDBDLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423328055 384536612 /nfs/dbraw/zinc/53/66/12/384536612.db2.gz RWVMGNPONQGFQO-TVQRCGJNSA-N 2 2 249.314 1.983 20 5 BDBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123395750 385787113 /nfs/dbraw/zinc/78/71/13/385787113.db2.gz NNVZAGOUDUFZID-CYBMUJFWSA-N 2 2 249.314 1.560 20 5 BDBDLP [NH3+]C[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000123395750 385787116 /nfs/dbraw/zinc/78/71/16/385787116.db2.gz NNVZAGOUDUFZID-CYBMUJFWSA-N 2 2 249.314 1.560 20 5 BDBDLP [NH3+][C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000414902980 387600930 /nfs/dbraw/zinc/60/09/30/387600930.db2.gz ZCISSPVXNGDTLY-VIFPVBQESA-N 2 2 241.316 1.483 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414984587 387631575 /nfs/dbraw/zinc/63/15/75/387631575.db2.gz VCXGSMQOZVHSFJ-SECBINFHSA-N 2 2 241.266 1.561 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415030943 387666862 /nfs/dbraw/zinc/66/68/62/387666862.db2.gz FRNNUQPRRFTHIA-ITGUQSILSA-N 2 2 247.298 1.211 20 5 BDBDLP C[N@H+](CCC[NH3+])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725792 388237927 /nfs/dbraw/zinc/23/79/27/388237927.db2.gz WDYQDPPSSIVNTR-UHFFFAOYSA-N 2 2 239.275 1.081 20 5 BDBDLP C[N@@H+](CCC[NH3+])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725792 388237928 /nfs/dbraw/zinc/23/79/28/388237928.db2.gz WDYQDPPSSIVNTR-UHFFFAOYSA-N 2 2 239.275 1.081 20 5 BDBDLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422948940 388687332 /nfs/dbraw/zinc/68/73/32/388687332.db2.gz SIGOSCPJKCTEQO-MNOVXSKESA-N 2 2 235.287 1.564 20 5 BDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000071142019 173381500 /nfs/dbraw/zinc/38/15/00/173381500.db2.gz WJYOZEWOQCIDQF-LLVKDONJSA-N 2 2 249.314 1.636 20 5 BDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000071142019 173381501 /nfs/dbraw/zinc/38/15/01/173381501.db2.gz WJYOZEWOQCIDQF-LLVKDONJSA-N 2 2 249.314 1.636 20 5 BDBDLP C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339071 176305633 /nfs/dbraw/zinc/30/56/33/176305633.db2.gz XHLAXJSZCAAUAN-MFKMUULPSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339071 176305636 /nfs/dbraw/zinc/30/56/36/176305636.db2.gz XHLAXJSZCAAUAN-MFKMUULPSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339072 177264655 /nfs/dbraw/zinc/26/46/55/177264655.db2.gz XHLAXJSZCAAUAN-GWCFXTLKSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000094339072 177264658 /nfs/dbraw/zinc/26/46/58/177264658.db2.gz XHLAXJSZCAAUAN-GWCFXTLKSA-N 2 2 249.314 1.764 20 5 BDBDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414842479 323151628 /nfs/dbraw/zinc/15/16/28/323151628.db2.gz OWYGKCYTCJJFRW-MRVPVSSYSA-N 2 2 243.332 1.601 20 5 BDBDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000902414906 584600249 /nfs/dbraw/zinc/60/02/49/584600249.db2.gz GCUWVYKBIQVNNC-VIFPVBQESA-N 2 2 235.287 1.737 20 5 BDBDLP [NH3+]CCc1[nH+]ccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967511 969320745 /nfs/dbraw/zinc/32/07/45/969320745.db2.gz QHUSPVDDRVDADU-VHSXEESVSA-N 2 2 238.291 1.002 20 5 BDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001173234514 975078216 /nfs/dbraw/zinc/07/82/16/975078216.db2.gz PDCFYNLEJJMHAX-XXILOJSOSA-N 2 2 235.287 1.215 20 5 BDBDLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001325625195 989218818 /nfs/dbraw/zinc/21/88/18/989218818.db2.gz ISZVUWABVZFWOC-JTQLQIEISA-N 2 2 237.303 1.682 20 5 BDBDLP C[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000037248567 361777195 /nfs/dbraw/zinc/77/71/95/361777195.db2.gz MPXAMHDQFMAQKO-UHFFFAOYSA-N 2 2 249.314 1.779 20 5 BDBDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577203 347676880 /nfs/dbraw/zinc/67/68/80/347676880.db2.gz AXKPPGGSLOADFM-JTQLQIEISA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000591580582 347677536 /nfs/dbraw/zinc/67/75/36/347677536.db2.gz ADYOGKDUNSZMKN-RKDXNWHRSA-N 2 2 223.276 1.593 20 5 BDBDLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000591580643 347677542 /nfs/dbraw/zinc/67/75/42/347677542.db2.gz DPHAHVJMJKYOAZ-PSASIEDQSA-N 2 2 237.303 1.901 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C[NH3+] ZINC000414945646 323152191 /nfs/dbraw/zinc/15/21/91/323152191.db2.gz QXSCJAFKWYMTHB-VIFPVBQESA-N 2 2 223.276 1.340 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000231480123 350626656 /nfs/dbraw/zinc/62/66/56/350626656.db2.gz GFCKWHYLPHSWIC-GXSJLCMTSA-N 2 2 237.303 1.983 20 5 BDBDLP C[C@@H](C[NH3+])[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000383018332 351166509 /nfs/dbraw/zinc/16/65/09/351166509.db2.gz LYCHLCWNVFGHFO-JTQLQIEISA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@@H](C[NH3+])[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000383018332 351166511 /nfs/dbraw/zinc/16/65/11/351166511.db2.gz LYCHLCWNVFGHFO-JTQLQIEISA-N 2 2 237.303 1.416 20 5 BDBDLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420391906 192236737 /nfs/dbraw/zinc/23/67/37/192236737.db2.gz BGVKPKOOEVHWFX-BXKDBHETSA-N 2 2 237.303 1.983 20 5 BDBDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000600682798 371695420 /nfs/dbraw/zinc/69/54/20/371695420.db2.gz QBRPGEVJOLMGPW-JOYOIKCWSA-N 2 2 235.287 1.435 20 5 BDBDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000396712705 385792656 /nfs/dbraw/zinc/79/26/56/385792656.db2.gz RQOVDMBRUNETKN-ZWNOBZJWSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000396712702 385793628 /nfs/dbraw/zinc/79/36/28/385793628.db2.gz RQOVDMBRUNETKN-MFKMUULPSA-N 2 2 249.314 1.825 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414974186 386005853 /nfs/dbraw/zinc/00/58/53/386005853.db2.gz DCQVRDCBDFPBBP-NSHDSACASA-N 2 2 237.303 1.730 20 5 BDBDLP CC[C@H]([NH3+])C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414984624 386095858 /nfs/dbraw/zinc/09/58/58/386095858.db2.gz VGVSBKKEBHMBKI-JTQLQIEISA-N 2 2 223.276 1.422 20 5 BDBDLP Cc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414893811 386159493 /nfs/dbraw/zinc/15/94/93/386159493.db2.gz KKLYWWZNGNYZMJ-LBPRGKRZSA-N 2 2 249.314 1.730 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895665 386193730 /nfs/dbraw/zinc/19/37/30/386193730.db2.gz YLWKPTJDBOIWPC-ZDUSSCGKSA-N 2 2 249.314 1.730 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414764980 386787677 /nfs/dbraw/zinc/78/76/77/386787677.db2.gz FJHDFOWHJQFGQP-GWCFXTLKSA-N 2 2 249.314 1.825 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414764980 386787682 /nfs/dbraw/zinc/78/76/82/386787682.db2.gz FJHDFOWHJQFGQP-GWCFXTLKSA-N 2 2 249.314 1.825 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414797351 387069696 /nfs/dbraw/zinc/06/96/96/387069696.db2.gz INSFPTJFDPFXRP-LBPRGKRZSA-N 2 2 249.314 1.730 20 5 BDBDLP Cc1ccc(C[NH2+][C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414922617 387607275 /nfs/dbraw/zinc/60/72/75/387607275.db2.gz CSEHMEYRPCNUFC-SECBINFHSA-N 2 2 223.276 1.340 20 5 BDBDLP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415006667 387650710 /nfs/dbraw/zinc/65/07/10/387650710.db2.gz KUVYATSCWWODQV-NXEZZACHSA-N 2 2 237.303 1.729 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415006672 387652400 /nfs/dbraw/zinc/65/24/00/387652400.db2.gz KUVYATSCWWODQV-ZJUUUORDSA-N 2 2 237.303 1.729 20 5 BDBDLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422839539 388687043 /nfs/dbraw/zinc/68/70/43/388687043.db2.gz QMFJUPKNJODENC-AAEUAGOBSA-N 2 2 249.314 1.997 20 5 BDBDLP [NH3+]CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423176377 388688897 /nfs/dbraw/zinc/68/88/97/388688897.db2.gz BXLUNQVZRRWGFL-LBPRGKRZSA-N 2 2 235.287 1.521 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423372588 388691148 /nfs/dbraw/zinc/69/11/48/388691148.db2.gz RERYEQVOXZTGEM-IUCAKERBSA-N 2 2 223.276 1.593 20 5 BDBDLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423314162 388691298 /nfs/dbraw/zinc/69/12/98/388691298.db2.gz GRXMENKDCNIPLY-RNCFNFMXSA-N 2 2 249.314 1.983 20 5 BDBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000424330465 388695856 /nfs/dbraw/zinc/69/58/56/388695856.db2.gz IBKXMBYYEVBECI-VXGBXAGGSA-N 2 2 249.314 1.954 20 5 BDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000221152459 173034145 /nfs/dbraw/zinc/03/41/45/173034145.db2.gz HEOBRAONRLGWHJ-CYBMUJFWSA-N 2 2 249.314 1.779 20 5 BDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000221152459 173034147 /nfs/dbraw/zinc/03/41/47/173034147.db2.gz HEOBRAONRLGWHJ-CYBMUJFWSA-N 2 2 249.314 1.779 20 5 BDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000071142018 173370683 /nfs/dbraw/zinc/37/06/83/173370683.db2.gz WJYOZEWOQCIDQF-NSHDSACASA-N 2 2 249.314 1.636 20 5 BDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000071142018 173370684 /nfs/dbraw/zinc/37/06/84/173370684.db2.gz WJYOZEWOQCIDQF-NSHDSACASA-N 2 2 249.314 1.636 20 5 BDBDLP CC[N@H+](CC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000306054641 636698367 /nfs/dbraw/zinc/69/83/67/636698367.db2.gz XDRDLVPEANCMNK-UHFFFAOYSA-N 2 2 237.303 1.418 20 5 BDBDLP CC[N@@H+](CC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000306054641 636698376 /nfs/dbraw/zinc/69/83/76/636698376.db2.gz XDRDLVPEANCMNK-UHFFFAOYSA-N 2 2 237.303 1.418 20 5 BDBDLP [NH3+]C1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000906509536 638181402 /nfs/dbraw/zinc/18/14/02/638181402.db2.gz IIDFRXOEXABUDI-UHFFFAOYSA-N 2 2 227.289 1.236 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596655369 348599324 /nfs/dbraw/zinc/59/93/24/348599324.db2.gz VZNOFPIXYFBCFV-UWVGGRQHSA-N 2 2 237.303 1.853 20 5 BDBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1C[NH+](C)C1 ZINC000597203467 348676804 /nfs/dbraw/zinc/67/68/04/348676804.db2.gz RDUZCHNOGPFJOD-UHFFFAOYSA-N 2 2 249.314 1.588 20 5 BDBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1C[NH+](C)C1 ZINC000597203467 348676806 /nfs/dbraw/zinc/67/68/06/348676806.db2.gz RDUZCHNOGPFJOD-UHFFFAOYSA-N 2 2 249.314 1.588 20 5 BDBDLP Cc1c(C[N@@H+](C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000383015714 351162391 /nfs/dbraw/zinc/16/23/91/351162391.db2.gz ICDPKAKEEBOVNL-SECBINFHSA-N 2 2 237.303 1.682 20 5 BDBDLP Cc1c(C[N@H+](C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000383015714 351162394 /nfs/dbraw/zinc/16/23/94/351162394.db2.gz ICDPKAKEEBOVNL-SECBINFHSA-N 2 2 237.303 1.682 20 5 BDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420409755 192239191 /nfs/dbraw/zinc/23/91/91/192239191.db2.gz QTFTUBUJRDOPOO-NXEZZACHSA-N 2 2 237.303 1.901 20 5 BDBDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000600714928 371698114 /nfs/dbraw/zinc/69/81/14/371698114.db2.gz VOUTXSGIDMCPPJ-GBIKHYSHSA-N 2 2 249.314 1.996 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000235138422 384204215 /nfs/dbraw/zinc/20/42/15/384204215.db2.gz ZZOPYXUSAKLKBI-QMMMGPOBSA-N 2 2 209.249 1.032 20 5 BDBDLP C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159670649 385708922 /nfs/dbraw/zinc/70/89/22/385708922.db2.gz UVHOFJSAOHXTNB-CYBMUJFWSA-N 2 2 249.314 1.764 20 5 BDBDLP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000159670649 385708928 /nfs/dbraw/zinc/70/89/28/385708928.db2.gz UVHOFJSAOHXTNB-CYBMUJFWSA-N 2 2 249.314 1.764 20 5 BDBDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000415043968 387679077 /nfs/dbraw/zinc/67/90/77/387679077.db2.gz RTLRSMMOCXSMGQ-GFCCVEGCSA-N 2 2 249.314 1.825 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415064210 387693150 /nfs/dbraw/zinc/69/31/50/387693150.db2.gz CASLGHZISGPNRZ-LBPRGKRZSA-N 2 2 249.314 1.827 20 5 BDBDLP CC[C@@H]([NH2+]CC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423226919 388690330 /nfs/dbraw/zinc/69/03/30/388690330.db2.gz SUBZIUWZXLIGJI-GFCCVEGCSA-N 2 2 237.303 1.855 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423481456 388692829 /nfs/dbraw/zinc/69/28/29/388692829.db2.gz WSTLMWSCMKKGTP-GXSJLCMTSA-N 2 2 237.303 1.983 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000261553019 135191744 /nfs/dbraw/zinc/19/17/44/135191744.db2.gz NPVHWOZIRLKRBA-AEJSXWLSSA-N 2 2 237.303 1.981 20 5 BDBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000261578904 135220148 /nfs/dbraw/zinc/22/01/48/135220148.db2.gz LZOIZHQTPIZHAU-RKDXNWHRSA-N 2 2 223.276 1.420 20 5 BDBDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000221152516 173057260 /nfs/dbraw/zinc/05/72/60/173057260.db2.gz HEOBRAONRLGWHJ-ZDUSSCGKSA-N 2 2 249.314 1.779 20 5 BDBDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000221152516 173057262 /nfs/dbraw/zinc/05/72/62/173057262.db2.gz HEOBRAONRLGWHJ-ZDUSSCGKSA-N 2 2 249.314 1.779 20 5 BDBDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014220 176274223 /nfs/dbraw/zinc/27/42/23/176274223.db2.gz KFIQJDUNZNBFRE-MFKMUULPSA-N 2 2 249.314 1.635 20 5 BDBDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358014220 176274224 /nfs/dbraw/zinc/27/42/24/176274224.db2.gz KFIQJDUNZNBFRE-MFKMUULPSA-N 2 2 249.314 1.635 20 5 BDBDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CC[N+](=O)[O-])C1 ZINC000899870500 584244840 /nfs/dbraw/zinc/24/48/40/584244840.db2.gz HVZGCBXQTMUKGP-VXGBXAGGSA-N 2 2 243.351 1.221 20 5 BDBDLP C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841059651 587940720 /nfs/dbraw/zinc/94/07/20/587940720.db2.gz JKQBXQLQLMPJSA-SSDOTTSWSA-N 2 2 243.694 1.685 20 5 BDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094088134 635183289 /nfs/dbraw/zinc/18/32/89/635183289.db2.gz DHRRCBQOVDIEFF-LLVKDONJSA-N 2 2 235.287 1.089 20 5 BDBDLP CC(C)[NH+](CCC[NH2+]CC[N+](=O)[O-])C(C)C ZINC000905146612 637655875 /nfs/dbraw/zinc/65/58/75/637655875.db2.gz OSONTGWPSSJORD-UHFFFAOYSA-N 2 2 231.340 1.362 20 5 BDBDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000600713651 344362272 /nfs/dbraw/zinc/36/22/72/344362272.db2.gz KHMNWANSNWTESA-GBIKHYSHSA-N 2 2 249.314 1.996 20 5 BDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000236418753 346238836 /nfs/dbraw/zinc/23/88/36/346238836.db2.gz TZBBTCJUHSHGRG-LBPRGKRZSA-N 2 2 249.314 1.827 20 5 BDBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000592431381 347777875 /nfs/dbraw/zinc/77/78/75/347777875.db2.gz YMBWXRMUIMVGCT-UHFFFAOYSA-N 2 2 237.303 1.764 20 5 BDBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)[NH3+] ZINC000592431381 347777877 /nfs/dbraw/zinc/77/78/77/347777877.db2.gz YMBWXRMUIMVGCT-UHFFFAOYSA-N 2 2 237.303 1.764 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000596104586 348440376 /nfs/dbraw/zinc/44/03/76/348440376.db2.gz GRTWYWZZSYWLTJ-OKPNEXGHSA-N 2 2 249.314 1.806 20 5 BDBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000159664876 350967635 /nfs/dbraw/zinc/96/76/35/350967635.db2.gz WKBSKRPIOUAOGZ-CYBMUJFWSA-N 2 2 249.314 1.764 20 5 BDBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000159664876 350967638 /nfs/dbraw/zinc/96/76/38/350967638.db2.gz WKBSKRPIOUAOGZ-CYBMUJFWSA-N 2 2 249.314 1.764 20 5 BDBDLP CC[N@H+](CC[NH3+])Cc1ccc([N+](=O)[O-])cc1C ZINC000600776303 371699691 /nfs/dbraw/zinc/69/96/91/371699691.db2.gz QZDIMWDKODMDNC-UHFFFAOYSA-N 2 2 237.303 1.684 20 5 BDBDLP CC[N@@H+](CC[NH3+])Cc1ccc([N+](=O)[O-])cc1C ZINC000600776303 371699694 /nfs/dbraw/zinc/69/96/94/371699694.db2.gz QZDIMWDKODMDNC-UHFFFAOYSA-N 2 2 237.303 1.684 20 5 BDBDLP CC[NH2+]CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414836380 386737687 /nfs/dbraw/zinc/73/76/87/386737687.db2.gz WEZLQHYZPPKPEE-FNORWQNLSA-N 2 2 249.314 1.807 20 5 BDBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000415018682 387663914 /nfs/dbraw/zinc/66/39/14/387663914.db2.gz QYRVVHSHDHTIQC-SFYZADRCSA-N 2 2 241.266 1.559 20 5 BDBDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000415043969 387678071 /nfs/dbraw/zinc/67/80/71/387678071.db2.gz RTLRSMMOCXSMGQ-LBPRGKRZSA-N 2 2 249.314 1.825 20 5 BDBDLP C[NH2+]CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423225553 388689652 /nfs/dbraw/zinc/68/96/52/388689652.db2.gz NFIDDUVCYPGKLY-SECBINFHSA-N 2 2 223.276 1.465 20 5 BDBDLP C[NH2+]CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423228525 388690273 /nfs/dbraw/zinc/69/02/73/388690273.db2.gz ZYSHRDWSLWNDJT-SECBINFHSA-N 2 2 223.276 1.465 20 5 BDBDLP Cc1c([C@H](C)[NH2+][C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423327519 388691075 /nfs/dbraw/zinc/69/10/75/388691075.db2.gz NIXKNRQGUSSSEM-SCZZXKLOSA-N 2 2 237.303 1.901 20 5 BDBDLP C[C@@H]([NH3+])C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000261564223 135206362 /nfs/dbraw/zinc/20/63/62/135206362.db2.gz XPHQIMWSUAKDTL-SNVBAGLBSA-N 2 2 237.303 1.416 20 5 BDBDLP C[C@@H]([NH3+])C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000261564223 135206364 /nfs/dbraw/zinc/20/63/64/135206364.db2.gz XPHQIMWSUAKDTL-SNVBAGLBSA-N 2 2 237.303 1.416 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261926616 135263876 /nfs/dbraw/zinc/26/38/76/135263876.db2.gz CFYUBTZKFFBYOT-ZWNOBZJWSA-N 2 2 249.314 1.682 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261926616 135263877 /nfs/dbraw/zinc/26/38/77/135263877.db2.gz CFYUBTZKFFBYOT-ZWNOBZJWSA-N 2 2 249.314 1.682 20 5 BDBDLP C[NH2+]CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000124727903 173346269 /nfs/dbraw/zinc/34/62/69/173346269.db2.gz CKQCVKJOOLBPJY-UHFFFAOYSA-N 2 2 237.303 1.636 20 5 BDBDLP C[NH2+]CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000124727903 173346270 /nfs/dbraw/zinc/34/62/70/173346270.db2.gz CKQCVKJOOLBPJY-UHFFFAOYSA-N 2 2 237.303 1.636 20 5 BDBDLP C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339054 177266612 /nfs/dbraw/zinc/26/66/12/177266612.db2.gz HJVCSUCTHJQBFI-JQWIXIFHSA-N 2 2 249.314 1.764 20 5 BDBDLP C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094339054 177266613 /nfs/dbraw/zinc/26/66/13/177266613.db2.gz HJVCSUCTHJQBFI-JQWIXIFHSA-N 2 2 249.314 1.764 20 5 BDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967165 969321423 /nfs/dbraw/zinc/32/14/23/969321423.db2.gz NUGBVICSUYFHQT-UTUOFQBUSA-N 2 2 241.335 1.116 20 5 BDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967165 969321429 /nfs/dbraw/zinc/32/14/29/969321429.db2.gz NUGBVICSUYFHQT-UTUOFQBUSA-N 2 2 241.335 1.116 20 5 BDBDLP C[NH2+][C@@H](C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001326077104 989362688 /nfs/dbraw/zinc/36/26/88/989362688.db2.gz VGORZUYEWLWCOO-QMMMGPOBSA-N 2 2 243.332 1.744 20 5 BDBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574282 345538161 /nfs/dbraw/zinc/53/81/61/345538161.db2.gz UKZDACONHWNZAW-VXGBXAGGSA-N 2 2 247.298 1.246 20 5 BDBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000592477208 347791485 /nfs/dbraw/zinc/79/14/85/347791485.db2.gz SMJFHDHVORWBDG-LLVKDONJSA-N 2 2 249.314 1.636 20 5 BDBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[NH2+]C1 ZINC000592477208 347791487 /nfs/dbraw/zinc/79/14/87/347791487.db2.gz SMJFHDHVORWBDG-LLVKDONJSA-N 2 2 249.314 1.636 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414870030 385845456 /nfs/dbraw/zinc/84/54/56/385845456.db2.gz RYMIEPTYTPFHRL-LBPRGKRZSA-N 2 2 249.314 1.745 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000052926243 386371044 /nfs/dbraw/zinc/37/10/44/386371044.db2.gz NXWRFVMLKHKYEL-NSHDSACASA-N 2 2 235.287 1.436 20 5 BDBDLP [NH3+]C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000414797183 387069966 /nfs/dbraw/zinc/06/99/66/387069966.db2.gz IESMQKSWIPCXRS-SECBINFHSA-N 2 2 241.316 1.483 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414977746 387626695 /nfs/dbraw/zinc/62/66/95/387626695.db2.gz KTGLDFZHQDJJJK-SNVBAGLBSA-N 2 2 223.276 1.422 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414984626 387630959 /nfs/dbraw/zinc/63/09/59/387630959.db2.gz VGVSBKKEBHMBKI-SNVBAGLBSA-N 2 2 223.276 1.422 20 5 BDBDLP CC[C@H]([NH2+]CC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000423226920 388689073 /nfs/dbraw/zinc/68/90/73/388689073.db2.gz SUBZIUWZXLIGJI-LBPRGKRZSA-N 2 2 237.303 1.855 20 5 BDBDLP Cc1c([C@@H](C)[NH2+][C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000423327495 388691864 /nfs/dbraw/zinc/69/18/64/388691864.db2.gz NIXKNRQGUSSSEM-PSASIEDQSA-N 2 2 237.303 1.901 20 5 BDBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423450200 388692462 /nfs/dbraw/zinc/69/24/62/388692462.db2.gz SQUFZBXVPMJACC-BBBLOLIVSA-N 2 2 237.303 1.981 20 5 BDBDLP C[NH2+]CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000070304062 173352598 /nfs/dbraw/zinc/35/25/98/173352598.db2.gz FNKBJOCTIZYFIF-UHFFFAOYSA-N 2 2 237.303 1.289 20 5 BDBDLP C[NH2+]CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000070304062 173352599 /nfs/dbraw/zinc/35/25/99/173352599.db2.gz FNKBJOCTIZYFIF-UHFFFAOYSA-N 2 2 237.303 1.289 20 5 BDBDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817966070 584992918 /nfs/dbraw/zinc/99/29/18/584992918.db2.gz FQXKAJWAXJNRPS-HTQZYQBOSA-N 2 2 238.291 1.175 20 5 BDBDLP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000873251082 590008685 /nfs/dbraw/zinc/00/86/85/590008685.db2.gz IXMNQWRAECFAMI-NEPJUHHUSA-N 2 2 249.314 1.873 20 5 BDBDLP C[C@@H](CC[NH2+]CC[N+](=O)[O-])[NH+]1CCCCC1 ZINC000905208768 637697168 /nfs/dbraw/zinc/69/71/68/637697168.db2.gz NAONFODRVRCLBP-NSHDSACASA-N 2 2 229.324 1.117 20 5 BDBDLP C[NH2+][C@H](C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001325625198 989218273 /nfs/dbraw/zinc/21/82/73/989218273.db2.gz ISZVUWABVZFWOC-SNVBAGLBSA-N 2 2 237.303 1.682 20 5 BDBDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000600677885 342799037 /nfs/dbraw/zinc/79/90/37/342799037.db2.gz KQFWVWAZFFRRDW-QWHCGFSZSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000591581457 347678570 /nfs/dbraw/zinc/67/85/70/347678570.db2.gz XBQCXFNLXCCUKJ-RKDXNWHRSA-N 2 2 223.276 1.593 20 5 BDBDLP CC1([NH3+])CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000592431567 347778270 /nfs/dbraw/zinc/77/82/70/347778270.db2.gz JKQATOQMHOGUAO-UHFFFAOYSA-N 2 2 249.314 1.908 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000596103136 348439599 /nfs/dbraw/zinc/43/95/99/348439599.db2.gz AYJOXEXUGYKKJL-JTQLQIEISA-N 2 2 237.303 1.601 20 5 BDBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000596103117 348439615 /nfs/dbraw/zinc/43/96/15/348439615.db2.gz AITMLWKSAKZGCP-JTQLQIEISA-N 2 2 237.303 1.601 20 5 BDBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000129014744 350961275 /nfs/dbraw/zinc/96/12/75/350961275.db2.gz SEEPCEUODUGQAX-CMPLNLGQSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000129014744 350961276 /nfs/dbraw/zinc/96/12/76/350961276.db2.gz SEEPCEUODUGQAX-CMPLNLGQSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@H]([NH3+])C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420365809 192224341 /nfs/dbraw/zinc/22/43/41/192224341.db2.gz SRXHZRCMUBUUMZ-JTQLQIEISA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@H]([NH3+])C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420365809 192224342 /nfs/dbraw/zinc/22/43/42/192224342.db2.gz SRXHZRCMUBUUMZ-JTQLQIEISA-N 2 2 249.314 1.906 20 5 BDBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420409756 192239281 /nfs/dbraw/zinc/23/92/81/192239281.db2.gz QTFTUBUJRDOPOO-UWVGGRQHSA-N 2 2 237.303 1.901 20 5 BDBDLP Cc1c(C[NH+]2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000036754057 361394816 /nfs/dbraw/zinc/39/48/16/361394816.db2.gz OKBDOCGFLKXEOO-UHFFFAOYSA-N 2 2 249.314 1.826 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107574188 369353667 /nfs/dbraw/zinc/35/36/67/369353667.db2.gz PMGMGBRDXBICEO-RYUDHWBXSA-N 2 2 247.298 1.246 20 5 BDBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000396633926 385713527 /nfs/dbraw/zinc/71/35/27/385713527.db2.gz JSXOVQGLPHBIOX-GWCFXTLKSA-N 2 2 249.314 1.825 20 5 BDBDLP [NH3+][C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414902508 386330279 /nfs/dbraw/zinc/33/02/79/386330279.db2.gz YMJIZZQFRFQJLN-GFCCVEGCSA-N 2 2 235.287 1.422 20 5 BDBDLP Cc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414935971 386819456 /nfs/dbraw/zinc/81/94/56/386819456.db2.gz CSEHMEYRPCNUFC-VIFPVBQESA-N 2 2 223.276 1.340 20 5 BDBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414800641 387070872 /nfs/dbraw/zinc/07/08/72/387070872.db2.gz SJPOJKLIOCIZGY-GFCCVEGCSA-N 2 2 237.303 1.668 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895664 387592166 /nfs/dbraw/zinc/59/21/66/387592166.db2.gz YLWKPTJDBOIWPC-CYBMUJFWSA-N 2 2 249.314 1.730 20 5 BDBDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000415033206 387673743 /nfs/dbraw/zinc/67/37/43/387673743.db2.gz GSNLMPMFBVYOQU-LBPRGKRZSA-N 2 2 249.314 1.825 20 5 BDBDLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000422839542 388687036 /nfs/dbraw/zinc/68/70/36/388687036.db2.gz QMFJUPKNJODENC-YPMHNXCESA-N 2 2 249.314 1.997 20 5 BDBDLP Cc1c([C@@H](C)[NH2+]CC[NH3+])cccc1[N+](=O)[O-] ZINC000423183497 388688218 /nfs/dbraw/zinc/68/82/18/388688218.db2.gz MJQCRBXGKKATTD-SECBINFHSA-N 2 2 223.276 1.513 20 5 BDBDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423225028 388689559 /nfs/dbraw/zinc/68/95/59/388689559.db2.gz KZPYXHWXWFCVPI-JTQLQIEISA-N 2 2 237.303 1.773 20 5 BDBDLP C[NH2+]CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423234992 388689810 /nfs/dbraw/zinc/68/98/10/388689810.db2.gz AFVDPPCYDSUHHX-SNVBAGLBSA-N 2 2 237.303 1.335 20 5 BDBDLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423314160 388691231 /nfs/dbraw/zinc/69/12/31/388691231.db2.gz GRXMENKDCNIPLY-NOZJJQNGSA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@@](C[NH3+])([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430587620 388728992 /nfs/dbraw/zinc/72/89/92/388728992.db2.gz WSCFPEIDUDRNEH-ZDUSSCGKSA-N 2 2 249.314 1.812 20 5 BDBDLP C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261549775 135188403 /nfs/dbraw/zinc/18/84/03/135188403.db2.gz KFJSAHYFFSZCSE-ZWNOBZJWSA-N 2 2 249.314 1.416 20 5 BDBDLP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000261549775 135188405 /nfs/dbraw/zinc/18/84/05/135188405.db2.gz KFJSAHYFFSZCSE-ZWNOBZJWSA-N 2 2 249.314 1.416 20 5 BDBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000261578903 135220166 /nfs/dbraw/zinc/22/01/66/135220166.db2.gz LZOIZHQTPIZHAU-IUCAKERBSA-N 2 2 223.276 1.420 20 5 BDBDLP C[C@@H]([NH3+])C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000863653837 589308244 /nfs/dbraw/zinc/30/82/44/589308244.db2.gz QOIIRHMWXQFKND-OKPNEXGHSA-N 2 2 249.314 1.887 20 5 BDBDLP C[C@@H]([NH3+])C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000863653837 589308245 /nfs/dbraw/zinc/30/82/45/589308245.db2.gz QOIIRHMWXQFKND-OKPNEXGHSA-N 2 2 249.314 1.887 20 5 BDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967161 969322287 /nfs/dbraw/zinc/32/22/87/969322287.db2.gz NUGBVICSUYFHQT-QJPTWQEYSA-N 2 2 241.335 1.116 20 5 BDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967161 969322281 /nfs/dbraw/zinc/32/22/81/969322281.db2.gz NUGBVICSUYFHQT-QJPTWQEYSA-N 2 2 241.335 1.116 20 5 BDBDLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423359994 192732239 /nfs/dbraw/zinc/73/22/39/192732239.db2.gz DYXDMJBXWCLASM-JOYOIKCWSA-N 2 2 237.303 1.983 20 5 BDBDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000600681799 371695165 /nfs/dbraw/zinc/69/51/65/371695165.db2.gz JZFLUCNBFMBGOI-JOYOIKCWSA-N 2 2 235.287 1.435 20 5 BDBDLP CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000600775506 371700203 /nfs/dbraw/zinc/70/02/03/371700203.db2.gz OAJRITXJKLYOCR-FNORWQNLSA-N 2 2 249.314 1.889 20 5 BDBDLP CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[NH3+] ZINC000600775506 371700209 /nfs/dbraw/zinc/70/02/09/371700209.db2.gz OAJRITXJKLYOCR-FNORWQNLSA-N 2 2 249.314 1.889 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000235138875 384204117 /nfs/dbraw/zinc/20/41/17/384204117.db2.gz HVQBORUZYIHZOB-QMMMGPOBSA-N 2 2 209.249 1.032 20 5 BDBDLP [NH3+][C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414897281 386213973 /nfs/dbraw/zinc/21/39/73/386213973.db2.gz QZSDXEZBVTWGDM-GFCCVEGCSA-N 2 2 235.287 1.422 20 5 BDBDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000123429686 386556534 /nfs/dbraw/zinc/55/65/34/386556534.db2.gz KDTCIRWJTUCWBF-GFCCVEGCSA-N 2 2 235.287 1.518 20 5 BDBDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000123429686 386556537 /nfs/dbraw/zinc/55/65/37/386556537.db2.gz KDTCIRWJTUCWBF-GFCCVEGCSA-N 2 2 235.287 1.518 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414804832 387131555 /nfs/dbraw/zinc/13/15/55/387131555.db2.gz PCXLFASGAYRJOU-CYBMUJFWSA-N 2 2 249.314 1.730 20 5 BDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CC[NH2+]C1 ZINC000414880729 387581624 /nfs/dbraw/zinc/58/16/24/387581624.db2.gz KOHBPUPHCBJNJV-FHMRSRPSSA-N 2 2 247.298 1.560 20 5 BDBDLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414893810 387593011 /nfs/dbraw/zinc/59/30/11/387593011.db2.gz KKLYWWZNGNYZMJ-GFCCVEGCSA-N 2 2 249.314 1.730 20 5 BDBDLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414954943 387617254 /nfs/dbraw/zinc/61/72/54/387617254.db2.gz SZUDTKMAGBXHAM-CMPLNLGQSA-N 2 2 249.314 1.825 20 5 BDBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)[NH3+] ZINC000415018681 387663547 /nfs/dbraw/zinc/66/35/47/387663547.db2.gz QYRVVHSHDHTIQC-JGVFFNPUSA-N 2 2 241.266 1.559 20 5 BDBDLP C[NH2+]CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423226778 388689104 /nfs/dbraw/zinc/68/91/04/388689104.db2.gz SFLUDGKDDTWVAG-JTQLQIEISA-N 2 2 237.303 1.773 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423268792 388690024 /nfs/dbraw/zinc/69/00/24/388690024.db2.gz DYRKTWCAZIMZPY-RNCFNFMXSA-N 2 2 249.314 1.983 20 5 BDBDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423231531 388690440 /nfs/dbraw/zinc/69/04/40/388690440.db2.gz GSLWSCMLQBATLF-JQWIXIFHSA-N 2 2 249.314 1.997 20 5 BDBDLP C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423400891 388692492 /nfs/dbraw/zinc/69/24/92/388692492.db2.gz QLWNYVFQJUZHJO-ZANVPECISA-N 2 2 249.314 1.909 20 5 BDBDLP C[C@](C[NH3+])([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000430587222 388729107 /nfs/dbraw/zinc/72/91/07/388729107.db2.gz VLKSFZSIIGOAMW-CYBMUJFWSA-N 2 2 249.314 1.812 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261926613 135263508 /nfs/dbraw/zinc/26/35/08/135263508.db2.gz CFYUBTZKFFBYOT-GWCFXTLKSA-N 2 2 249.314 1.682 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261926613 135263509 /nfs/dbraw/zinc/26/35/09/135263509.db2.gz CFYUBTZKFFBYOT-GWCFXTLKSA-N 2 2 249.314 1.682 20 5 BDBDLP C[NH+](C)CC[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C ZINC000905119603 637625632 /nfs/dbraw/zinc/62/56/32/637625632.db2.gz IMCBFBVNDNMNMU-SNVBAGLBSA-N 2 2 231.340 1.219 20 5 BDBDLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168955427 969304147 /nfs/dbraw/zinc/30/41/47/969304147.db2.gz AKZFWRSEEDYBTJ-VXGBXAGGSA-N 2 2 243.351 1.363 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000236408227 346236572 /nfs/dbraw/zinc/23/65/72/346236572.db2.gz GYDNDVWRKYAYNB-LBPRGKRZSA-N 2 2 249.314 1.827 20 5 BDBDLP [NH3+]C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000594739307 348110490 /nfs/dbraw/zinc/11/04/90/348110490.db2.gz UKNNMFBAMWSEHW-UHFFFAOYSA-N 2 2 249.314 1.956 20 5 BDBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000596103118 348439409 /nfs/dbraw/zinc/43/94/09/348439409.db2.gz AITMLWKSAKZGCP-SNVBAGLBSA-N 2 2 237.303 1.601 20 5 BDBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107574184 369353879 /nfs/dbraw/zinc/35/38/79/369353879.db2.gz PMGMGBRDXBICEO-VXGBXAGGSA-N 2 2 247.298 1.246 20 5 BDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124553170 371197485 /nfs/dbraw/zinc/19/74/85/371197485.db2.gz IYSIGZXWVRWSCF-PWSUYJOCSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124553170 371197492 /nfs/dbraw/zinc/19/74/92/371197492.db2.gz IYSIGZXWVRWSCF-PWSUYJOCSA-N 2 2 249.314 1.906 20 5 BDBDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000235096298 385061565 /nfs/dbraw/zinc/06/15/65/385061565.db2.gz BNCNDUCLHWYKMW-DTWKUNHWSA-N 2 2 223.276 1.593 20 5 BDBDLP C[C@H](C[NH3+])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000235455800 259673583 /nfs/dbraw/zinc/67/35/83/259673583.db2.gz FCTTUFIVASHQNU-MRVPVSSYSA-N 2 2 209.249 1.032 20 5 BDBDLP [NH3+]CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000414705691 386730276 /nfs/dbraw/zinc/73/02/76/386730276.db2.gz XEJWIOILKRZPRK-UHFFFAOYSA-N 2 2 235.287 1.302 20 5 BDBDLP [NH3+]CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000414705691 386730284 /nfs/dbraw/zinc/73/02/84/386730284.db2.gz XEJWIOILKRZPRK-UHFFFAOYSA-N 2 2 235.287 1.302 20 5 BDBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414800642 387070128 /nfs/dbraw/zinc/07/01/28/387070128.db2.gz SJPOJKLIOCIZGY-LBPRGKRZSA-N 2 2 237.303 1.668 20 5 BDBDLP C[NH2+]CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414826423 387266633 /nfs/dbraw/zinc/26/66/33/387266633.db2.gz VVLMPAXZQJLMIT-XQRVVYSFSA-N 2 2 235.287 1.417 20 5 BDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414843071 387374869 /nfs/dbraw/zinc/37/48/69/387374869.db2.gz JHKJTJKLXSTNJY-LBPRGKRZSA-N 2 2 249.314 1.745 20 5 BDBDLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422948932 388686561 /nfs/dbraw/zinc/68/65/61/388686561.db2.gz SGQRIMNAZKBFNO-NWDGAFQWSA-N 2 2 235.287 1.564 20 5 BDBDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423333190 388690869 /nfs/dbraw/zinc/69/08/69/388690869.db2.gz RERYEQVOXZTGEM-BDAKNGLRSA-N 2 2 223.276 1.593 20 5 BDBDLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423481463 388692465 /nfs/dbraw/zinc/69/24/65/388692465.db2.gz WSTLMWSCMKKGTP-MWLCHTKSSA-N 2 2 237.303 1.983 20 5 BDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000123429944 388732247 /nfs/dbraw/zinc/73/22/47/388732247.db2.gz KDTCIRWJTUCWBF-LBPRGKRZSA-N 2 2 235.287 1.518 20 5 BDBDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000123429944 388732249 /nfs/dbraw/zinc/73/22/49/388732249.db2.gz KDTCIRWJTUCWBF-LBPRGKRZSA-N 2 2 235.287 1.518 20 5 BDBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000261577851 135219066 /nfs/dbraw/zinc/21/90/66/135219066.db2.gz LLPACICQNAPHOL-RKDXNWHRSA-N 2 2 223.276 1.420 20 5 BDBDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000122040526 173057207 /nfs/dbraw/zinc/05/72/07/173057207.db2.gz CRSYGYDBRGVXBZ-ZDUSSCGKSA-N 2 2 249.314 1.779 20 5 BDBDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000122040526 173057209 /nfs/dbraw/zinc/05/72/09/173057209.db2.gz CRSYGYDBRGVXBZ-ZDUSSCGKSA-N 2 2 249.314 1.779 20 5 BDBDLP C[NH2+]CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000083352640 173349636 /nfs/dbraw/zinc/34/96/36/173349636.db2.gz SJAQUFSMHPZLHE-UHFFFAOYSA-N 2 2 223.276 1.294 20 5 BDBDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000902414878 584600341 /nfs/dbraw/zinc/60/03/41/584600341.db2.gz FOQZWEKOYWECHI-VIFPVBQESA-N 2 2 235.287 1.737 20 5 BDBDLP C[N@H+](CCC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123287125 589688137 /nfs/dbraw/zinc/68/81/37/589688137.db2.gz YBTJKOJELHIASI-UHFFFAOYSA-N 2 2 241.266 1.515 20 5 BDBDLP C[N@@H+](CCC[NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123287125 589688139 /nfs/dbraw/zinc/68/81/39/589688139.db2.gz YBTJKOJELHIASI-UHFFFAOYSA-N 2 2 241.266 1.515 20 5 BDBDLP