smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224618118 806867698 /nfs/dbraw/zinc/86/76/98/806867698.db2.gz CLWIHHKYBCLLRL-QGZVFWFLSA-N 2 1 277.432 2.374 20 5 CEBDMP C[C@@H]1C[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001118020015 814977190 /nfs/dbraw/zinc/97/71/90/814977190.db2.gz SQIGQPBFHQFBPX-VXGBXAGGSA-N 2 1 275.352 2.299 20 5 CEBDMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968044 811320065 /nfs/dbraw/zinc/32/00/65/811320065.db2.gz VDPUOHFBYQREDD-ZIAGYGMSSA-N 2 1 271.405 2.143 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001173215633 815623645 /nfs/dbraw/zinc/62/36/45/815623645.db2.gz XMPKZOCJSKLKQT-HIFRSBDPSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001173212286 815635817 /nfs/dbraw/zinc/63/58/17/815635817.db2.gz ZCCSAXQVQAAAJF-LBPRGKRZSA-N 2 1 277.368 2.210 20 5 CEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C)CC1 ZINC000449064042 282085597 /nfs/dbraw/zinc/08/55/97/282085597.db2.gz SJSCNFLAISNANP-LBPRGKRZSA-N 2 1 277.368 2.210 20 5 CEBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000037644223 361915944 /nfs/dbraw/zinc/91/59/44/361915944.db2.gz REJBVHUAWPXNJS-CYBMUJFWSA-N 2 1 263.341 2.026 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000037644223 361915949 /nfs/dbraw/zinc/91/59/49/361915949.db2.gz REJBVHUAWPXNJS-CYBMUJFWSA-N 2 1 263.341 2.026 20 5 CEBDMP C[N@H+]1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044536579 343474324 /nfs/dbraw/zinc/47/43/24/343474324.db2.gz KVQAIKLOPFFCDA-CQSZACIVSA-N 2 1 277.368 2.069 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910133 344146466 /nfs/dbraw/zinc/14/64/66/344146466.db2.gz BFLRKIAVVVSVMA-IOASZLSFSA-N 2 1 291.395 2.456 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592427591 345352113 /nfs/dbraw/zinc/35/21/13/345352113.db2.gz GDUCPXVORYVYTI-IUODEOHRSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592427591 345352116 /nfs/dbraw/zinc/35/21/16/345352116.db2.gz GDUCPXVORYVYTI-IUODEOHRSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000603435782 347370269 /nfs/dbraw/zinc/37/02/69/347370269.db2.gz ZFMYWULDRMUKQV-TVYUQYBPSA-N 2 1 263.341 2.371 20 5 CEBDMP C[NH+](C)CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000611521813 347790789 /nfs/dbraw/zinc/79/07/89/347790789.db2.gz VLYRBDFVPBZVFA-UHFFFAOYSA-N 2 1 265.357 2.021 20 5 CEBDMP C[NH+](C)CCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000611521813 347790791 /nfs/dbraw/zinc/79/07/91/347790791.db2.gz VLYRBDFVPBZVFA-UHFFFAOYSA-N 2 1 265.357 2.021 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070169750 363043997 /nfs/dbraw/zinc/04/39/97/363043997.db2.gz BMOWUWBTPJBZET-GFCCVEGCSA-N 2 1 263.341 2.156 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000070534358 363093599 /nfs/dbraw/zinc/09/35/99/363093599.db2.gz GOWAOXZLPYFVES-CYBMUJFWSA-N 2 1 263.341 2.298 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000070534358 363093606 /nfs/dbraw/zinc/09/36/06/363093606.db2.gz GOWAOXZLPYFVES-CYBMUJFWSA-N 2 1 263.341 2.298 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000132146391 366120343 /nfs/dbraw/zinc/12/03/43/366120343.db2.gz GSUNPWOQXCBCKX-OCCSQVGLSA-N 2 1 277.368 2.067 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352505266 369762584 /nfs/dbraw/zinc/76/25/84/369762584.db2.gz ZMYPKZFPHIJPPG-ZDUSSCGKSA-N 2 1 293.367 2.177 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000227074362 370357751 /nfs/dbraw/zinc/35/77/51/370357751.db2.gz MMTUDTPZFVVSHV-GWCFXTLKSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000227074362 370357755 /nfs/dbraw/zinc/35/77/55/370357755.db2.gz MMTUDTPZFVVSHV-GWCFXTLKSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000252880361 371486747 /nfs/dbraw/zinc/48/67/47/371486747.db2.gz YIOMDRATRKZWDY-KKUMJFAQSA-N 2 1 289.379 2.462 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699879 371470750 /nfs/dbraw/zinc/47/07/50/371470750.db2.gz WRQKOIJCZSTTNB-IJLUTSLNSA-N 2 1 263.341 2.325 20 5 CEBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CC[NH2+]CC1 ZINC000261851080 371749284 /nfs/dbraw/zinc/74/92/84/371749284.db2.gz STSBKPGXBCZECT-UHFFFAOYSA-N 2 1 277.368 2.069 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268932131 372293025 /nfs/dbraw/zinc/29/30/25/372293025.db2.gz NBJPTISNOZWHDA-NFAWXSAZSA-N 2 1 291.395 2.456 20 5 CEBDMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414805246 375991122 /nfs/dbraw/zinc/99/11/22/375991122.db2.gz PKPKCUDIBLSYII-WDEREUQCSA-N 2 1 269.370 2.263 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442919516 378018114 /nfs/dbraw/zinc/01/81/14/378018114.db2.gz JKNBYTXEUQTACU-ZDUSSCGKSA-N 2 1 277.368 2.464 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000414885571 285161460 /nfs/dbraw/zinc/16/14/60/285161460.db2.gz PGMDGDXECKLAAB-NWANDNLSSA-N 2 1 289.379 2.258 20 5 CEBDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000044534318 394507283 /nfs/dbraw/zinc/50/72/83/394507283.db2.gz AIOVMDAKLKIRQQ-ZDUSSCGKSA-N 2 1 263.341 2.026 20 5 CEBDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000044534318 394507285 /nfs/dbraw/zinc/50/72/85/394507285.db2.gz AIOVMDAKLKIRQQ-ZDUSSCGKSA-N 2 1 263.341 2.026 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414934779 394811067 /nfs/dbraw/zinc/81/10/67/394811067.db2.gz YEPDKDFAEOUBSZ-OLZOCXBDSA-N 2 1 293.367 2.353 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415011371 394848528 /nfs/dbraw/zinc/84/85/28/394848528.db2.gz ZYRSIVBWJDIGPE-GFCCVEGCSA-N 2 1 299.321 2.238 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139324 394902678 /nfs/dbraw/zinc/90/26/78/394902678.db2.gz ZLLVJCXCXQGENQ-RISCZKNCSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139324 394902680 /nfs/dbraw/zinc/90/26/80/394902680.db2.gz ZLLVJCXCXQGENQ-RISCZKNCSA-N 2 1 277.368 2.320 20 5 CEBDMP C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163827877 524291660 /nfs/dbraw/zinc/29/16/60/524291660.db2.gz CSZSRYNSKGFJHM-JSGCOSHPSA-N 2 1 277.368 2.054 20 5 CEBDMP C[C@@H]1[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000895736877 630326419 /nfs/dbraw/zinc/32/64/19/630326419.db2.gz LZDXKHSYPDHLSI-ZWNOBZJWSA-N 2 1 286.335 2.069 20 5 CEBDMP C[C@@H]1[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000895736877 630326421 /nfs/dbraw/zinc/32/64/21/630326421.db2.gz LZDXKHSYPDHLSI-ZWNOBZJWSA-N 2 1 286.335 2.069 20 5 CEBDMP C[C@@H]1[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000895736877 630326423 /nfs/dbraw/zinc/32/64/23/630326423.db2.gz LZDXKHSYPDHLSI-ZWNOBZJWSA-N 2 1 286.335 2.069 20 5 CEBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904349975 635583972 /nfs/dbraw/zinc/58/39/72/635583972.db2.gz FOHPNKSIGQJYMA-INIZCTEOSA-N 2 1 291.395 2.459 20 5 CEBDMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740942 650884155 /nfs/dbraw/zinc/88/41/55/650884155.db2.gz LIJYJDSKYQRYAQ-HOCLYGCPSA-N 2 1 289.379 2.163 20 5 CEBDMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740942 650884156 /nfs/dbraw/zinc/88/41/56/650884156.db2.gz LIJYJDSKYQRYAQ-HOCLYGCPSA-N 2 1 289.379 2.163 20 5 CEBDMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740942 650884160 /nfs/dbraw/zinc/88/41/60/650884160.db2.gz LIJYJDSKYQRYAQ-HOCLYGCPSA-N 2 1 289.379 2.163 20 5 CEBDMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740942 650884162 /nfs/dbraw/zinc/88/41/62/650884162.db2.gz LIJYJDSKYQRYAQ-HOCLYGCPSA-N 2 1 289.379 2.163 20 5 CEBDMP Cc1[nH+]c(N)ccc1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167785927 804163646 /nfs/dbraw/zinc/16/36/46/804163646.db2.gz HFBQCTLBWQNBEB-UHFFFAOYSA-N 2 1 299.334 2.096 20 5 CEBDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168989338 811338747 /nfs/dbraw/zinc/33/87/47/811338747.db2.gz WENUWGLZHKUOFM-KHMAMNHCSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168989338 811338758 /nfs/dbraw/zinc/33/87/58/811338758.db2.gz WENUWGLZHKUOFM-KHMAMNHCSA-N 2 1 281.400 2.037 20 5 CEBDMP [NH3+]CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050444826 362420935 /nfs/dbraw/zinc/42/09/35/362420935.db2.gz GJCIFTMXJSADSV-UHFFFAOYSA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)([NH3+])CC1 ZINC000592484892 345359574 /nfs/dbraw/zinc/35/95/74/345359574.db2.gz GYZFBTOKPRWVDW-NSHDSACASA-N 2 1 263.341 2.469 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000070148353 363036536 /nfs/dbraw/zinc/03/65/36/363036536.db2.gz CIABZYRARYYBJR-ZDUSSCGKSA-N 2 1 263.341 2.298 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000070148353 363036542 /nfs/dbraw/zinc/03/65/42/363036542.db2.gz CIABZYRARYYBJR-ZDUSSCGKSA-N 2 1 263.341 2.298 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070170546 363043286 /nfs/dbraw/zinc/04/32/86/363043286.db2.gz REEIIIYPPCFPPW-ZDUSSCGKSA-N 2 1 277.368 2.464 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070170545 363044020 /nfs/dbraw/zinc/04/40/20/363044020.db2.gz REEIIIYPPCFPPW-CYBMUJFWSA-N 2 1 277.368 2.464 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070534416 363093900 /nfs/dbraw/zinc/09/39/00/363093900.db2.gz TWYYVVLLMAPBSK-GFCCVEGCSA-N 2 1 263.341 2.156 20 5 CEBDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000570528032 299263185 /nfs/dbraw/zinc/26/31/85/299263185.db2.gz YVHZVXGUVXXAJK-HNNXBMFYSA-N 2 1 287.363 2.434 20 5 CEBDMP C[NH+]1CCC(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581499088 366787027 /nfs/dbraw/zinc/78/70/27/366787027.db2.gz SLLOHJYHTLCLJT-AWEZNQCLSA-N 2 1 275.352 2.266 20 5 CEBDMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581499088 366787031 /nfs/dbraw/zinc/78/70/31/366787031.db2.gz SLLOHJYHTLCLJT-AWEZNQCLSA-N 2 1 275.352 2.266 20 5 CEBDMP C[N@H+]1CC=C(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000345138187 368165631 /nfs/dbraw/zinc/16/56/31/368165631.db2.gz HHZJVTXHKLWRGJ-UHFFFAOYSA-N 2 1 267.354 2.008 20 5 CEBDMP C[N@@H+]1CC=C(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000345138187 368165637 /nfs/dbraw/zinc/16/56/37/368165637.db2.gz HHZJVTXHKLWRGJ-UHFFFAOYSA-N 2 1 267.354 2.008 20 5 CEBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346641290 368746537 /nfs/dbraw/zinc/74/65/37/368746537.db2.gz BLACDKLDSAETDU-PBYRWIMMSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@@]1(C[NH3+])CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000261833939 371746184 /nfs/dbraw/zinc/74/61/84/371746184.db2.gz QEUGUAHZNRDFNM-DRDHIDPGSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@@]1(C[NH3+])CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000261833939 371746192 /nfs/dbraw/zinc/74/61/92/371746192.db2.gz QEUGUAHZNRDFNM-DRDHIDPGSA-N 2 1 275.352 2.279 20 5 CEBDMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414798415 375982779 /nfs/dbraw/zinc/98/27/79/375982779.db2.gz JBDJWNZRWWETMY-HZMBPMFUSA-N 2 1 281.331 2.341 20 5 CEBDMP C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000414896640 394793519 /nfs/dbraw/zinc/79/35/19/394793519.db2.gz CJYJQXNLIBYTSA-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000423386787 394909251 /nfs/dbraw/zinc/90/92/51/394909251.db2.gz RRHUKSXBEKLHPZ-BZPMIXESSA-N 2 1 277.368 2.256 20 5 CEBDMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1[N+](=O)[O-] ZINC000420316082 395320472 /nfs/dbraw/zinc/32/04/72/395320472.db2.gz MIQLXVVWDIXGAX-ZDUSSCGKSA-N 2 1 277.368 2.416 20 5 CEBDMP C[NH+](C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473880 395528807 /nfs/dbraw/zinc/52/88/07/395528807.db2.gz DURVHQZCRNWGMJ-ZDUSSCGKSA-N 2 1 263.341 2.123 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675978 174373466 /nfs/dbraw/zinc/37/34/66/174373466.db2.gz PZDMRVURKPADMY-IOASZLSFSA-N 2 1 291.395 2.456 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424332771 271047413 /nfs/dbraw/zinc/04/74/13/271047413.db2.gz LHEMXQLLYZJYLE-CHWSQXEVSA-N 2 1 263.341 2.263 20 5 CEBDMP [NH3+]CC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000904406902 635613645 /nfs/dbraw/zinc/61/36/45/635613645.db2.gz WQHUWMUMNXCRTR-HSBHDXMMSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519566 643748468 /nfs/dbraw/zinc/74/84/68/643748468.db2.gz UCKAWIVTEWAFFN-RWMBFGLXSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519566 643748470 /nfs/dbraw/zinc/74/84/70/643748470.db2.gz UCKAWIVTEWAFFN-RWMBFGLXSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723697857 802925393 /nfs/dbraw/zinc/92/53/93/802925393.db2.gz CXUSQCCHNWTCRS-NWDGAFQWSA-N 2 1 263.341 2.327 20 5 CEBDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169008235 811332049 /nfs/dbraw/zinc/33/20/49/811332049.db2.gz SHHGMUSMBMJPSW-BARDWOONSA-N 2 1 283.416 2.140 20 5 CEBDMP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170318659 812385622 /nfs/dbraw/zinc/38/56/22/812385622.db2.gz QZVPXKAKZSGHRL-NWDGAFQWSA-N 2 1 295.383 2.061 20 5 CEBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000037645064 361918308 /nfs/dbraw/zinc/91/83/08/361918308.db2.gz GTVHSIUNZNRYFC-ZDUSSCGKSA-N 2 1 293.367 2.035 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000037645064 361918315 /nfs/dbraw/zinc/91/83/15/361918315.db2.gz GTVHSIUNZNRYFC-ZDUSSCGKSA-N 2 1 293.367 2.035 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037904623 343432387 /nfs/dbraw/zinc/43/23/87/343432387.db2.gz FECQZZOXDCHBBB-CQSZACIVSA-N 2 1 289.379 2.211 20 5 CEBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000045134947 343481286 /nfs/dbraw/zinc/48/12/86/343481286.db2.gz LMXSXOXZXRPLBH-HNNXBMFYSA-N 2 1 291.395 2.457 20 5 CEBDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000090909850 344146532 /nfs/dbraw/zinc/14/65/32/344146532.db2.gz MVZLMZHBSGTWMG-CZUORRHYSA-N 2 1 291.395 2.457 20 5 CEBDMP CCC[N@H+]1CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602530834 347068059 /nfs/dbraw/zinc/06/80/59/347068059.db2.gz TWOVKFMHHJSXDL-OAHLLOKOSA-N 2 1 291.395 2.459 20 5 CEBDMP C[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000271456242 191148420 /nfs/dbraw/zinc/14/84/20/191148420.db2.gz GSOWRSQSCPMCSS-JSGCOSHPSA-N 2 1 277.368 2.210 20 5 CEBDMP Cc1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000358502568 371095485 /nfs/dbraw/zinc/09/54/85/371095485.db2.gz WAEWAJMAAPJDKP-UHFFFAOYSA-N 2 1 289.379 2.479 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261647536 371689364 /nfs/dbraw/zinc/68/93/64/371689364.db2.gz XRBISZYPFJJZFS-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261647536 371689370 /nfs/dbraw/zinc/68/93/70/371689370.db2.gz XRBISZYPFJJZFS-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414938611 376013192 /nfs/dbraw/zinc/01/31/92/376013192.db2.gz YZOYHZFTDLFZRD-MBNYWOFBSA-N 2 1 277.368 2.243 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 ZINC000423246668 377166551 /nfs/dbraw/zinc/16/65/51/377166551.db2.gz ZRFDNONGMSMHKG-HUUCEWRRSA-N 2 1 289.379 2.258 20 5 CEBDMP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000311603972 394538701 /nfs/dbraw/zinc/53/87/01/394538701.db2.gz DCJJSDXRMCRWRO-TXEJJXNPSA-N 2 1 281.381 2.088 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414942918 394814317 /nfs/dbraw/zinc/81/43/17/394814317.db2.gz DTCYYZWANRUACU-WCQYABFASA-N 2 1 263.341 2.133 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420283393 395293103 /nfs/dbraw/zinc/29/31/03/395293103.db2.gz CCUGSAZEFZOHPI-RYUDHWBXSA-N 2 1 263.341 2.245 20 5 CEBDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176982 173010353 /nfs/dbraw/zinc/01/03/53/173010353.db2.gz HYDHHTIGOYEVMF-LLVKDONJSA-N 2 1 251.330 2.197 20 5 CEBDMP Cc1c(C[NH2+]C[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000311750530 627694936 /nfs/dbraw/zinc/69/49/36/627694936.db2.gz COOQXHBQTHRWJQ-LLVKDONJSA-N 2 1 265.357 2.191 20 5 CEBDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981232 633823442 /nfs/dbraw/zinc/82/34/42/633823442.db2.gz HSALWHQADPTNMD-HZMBPMFUSA-N 2 1 292.383 2.345 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000818616632 633960643 /nfs/dbraw/zinc/96/06/43/633960643.db2.gz YYGUBLDDVFZAJJ-UFGOTCBOSA-N 2 1 278.356 2.098 20 5 CEBDMP [NH3+]CC[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000904406901 635613420 /nfs/dbraw/zinc/61/34/20/635613420.db2.gz WQHUWMUMNXCRTR-DXTPNHAXSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@H]1C[C@@H](CC[NH2+]CC[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000905186572 635856104 /nfs/dbraw/zinc/85/61/04/635856104.db2.gz HXPIAAWGWVFJEM-GOEBONIOSA-N 2 1 291.395 2.153 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923487683 643731261 /nfs/dbraw/zinc/73/12/61/643731261.db2.gz BFXGOUSQYVKEFS-NEPJUHHUSA-N 2 1 293.367 2.020 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923498104 643740739 /nfs/dbraw/zinc/74/07/39/643740739.db2.gz JDVXHMZLLCAUSF-YPMHNXCESA-N 2 1 263.341 2.012 20 5 CEBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990337 811339128 /nfs/dbraw/zinc/33/91/28/811339128.db2.gz BRQATMQRGROHOX-RDBSUJKOSA-N 2 1 283.416 2.284 20 5 CEBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990337 811339135 /nfs/dbraw/zinc/33/91/35/811339135.db2.gz BRQATMQRGROHOX-RDBSUJKOSA-N 2 1 283.416 2.284 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000228177205 344558915 /nfs/dbraw/zinc/55/89/15/344558915.db2.gz VKZUKEAGSZJXKG-MFKMUULPSA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000228177205 344558917 /nfs/dbraw/zinc/55/89/17/344558917.db2.gz VKZUKEAGSZJXKG-MFKMUULPSA-N 2 1 263.341 2.215 20 5 CEBDMP C[N@H+]1CC=C(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601138452 346766181 /nfs/dbraw/zinc/76/61/81/346766181.db2.gz TUZSLRFRHUSBFF-UHFFFAOYSA-N 2 1 298.346 2.239 20 5 CEBDMP C[N@@H+]1CC=C(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601138452 346766182 /nfs/dbraw/zinc/76/61/82/346766182.db2.gz TUZSLRFRHUSBFF-UHFFFAOYSA-N 2 1 298.346 2.239 20 5 CEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000615834542 348396721 /nfs/dbraw/zinc/39/67/21/348396721.db2.gz KCOHFIJLJNKJQI-VNLLDLMDSA-N 2 1 287.363 2.149 20 5 CEBDMP C[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000271456244 191149610 /nfs/dbraw/zinc/14/96/10/191149610.db2.gz GSOWRSQSCPMCSS-TZMCWYRMSA-N 2 1 277.368 2.210 20 5 CEBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000346832282 368790364 /nfs/dbraw/zinc/79/03/64/368790364.db2.gz YYEPAYCRZQRXBP-ZPFWKANASA-N 2 1 287.363 2.277 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000261674653 371699815 /nfs/dbraw/zinc/69/98/15/371699815.db2.gz GGLRHCJZIMXUQC-CQSZACIVSA-N 2 1 277.368 2.381 20 5 CEBDMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423313391 377243766 /nfs/dbraw/zinc/24/37/66/377243766.db2.gz FRKSBWZTQIVNES-UONOGXRCSA-N 2 1 263.341 2.373 20 5 CEBDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294034985 377879057 /nfs/dbraw/zinc/87/90/57/377879057.db2.gz FSEVGBXFUCDMKM-QWRGUYRKSA-N 2 1 280.372 2.025 20 5 CEBDMP Cc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414946330 394816456 /nfs/dbraw/zinc/81/64/56/394816456.db2.gz TUMNQXUUHSKGSO-UHFFFAOYSA-N 2 1 263.341 2.135 20 5 CEBDMP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423339170 394890819 /nfs/dbraw/zinc/89/08/19/394890819.db2.gz ZHONLOPBQDSKDX-MFKMUULPSA-N 2 1 263.341 2.291 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415139549 394902394 /nfs/dbraw/zinc/90/23/94/394902394.db2.gz ZVPVZTSBGFQGPT-FZMZJTMJSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420283394 395293120 /nfs/dbraw/zinc/29/31/20/395293120.db2.gz CCUGSAZEFZOHPI-VXGBXAGGSA-N 2 1 263.341 2.245 20 5 CEBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435628950 395380157 /nfs/dbraw/zinc/38/01/57/395380157.db2.gz WMWNAPUARAZADI-ZDUSSCGKSA-N 2 1 293.367 2.048 20 5 CEBDMP Cc1c(C[NH2+][C@@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000049557377 525725565 /nfs/dbraw/zinc/72/55/65/525725565.db2.gz WIDCQXNDROROGB-NSHDSACASA-N 2 1 265.357 2.333 20 5 CEBDMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466104 631532822 /nfs/dbraw/zinc/53/28/22/631532822.db2.gz NWZBYDHSLHCWOU-LBPRGKRZSA-N 2 1 277.368 2.382 20 5 CEBDMP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903175462 634999168 /nfs/dbraw/zinc/99/91/68/634999168.db2.gz SIVKRVMQHNHYDO-NWDGAFQWSA-N 2 1 295.383 2.452 20 5 CEBDMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905045917 635786474 /nfs/dbraw/zinc/78/64/74/635786474.db2.gz MZEBRQOMNXCEBX-CQSZACIVSA-N 2 1 291.395 2.427 20 5 CEBDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905045917 635786475 /nfs/dbraw/zinc/78/64/75/635786475.db2.gz MZEBRQOMNXCEBX-CQSZACIVSA-N 2 1 291.395 2.427 20 5 CEBDMP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923498214 643740659 /nfs/dbraw/zinc/74/06/59/643740659.db2.gz KCGLNNKKNKXGNB-GXTWGEPZSA-N 2 1 277.368 2.054 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923500437 643742065 /nfs/dbraw/zinc/74/20/65/643742065.db2.gz QNDMSZYOSDAQRY-GHMZBOCLSA-N 2 1 281.331 2.151 20 5 CEBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054234 648477004 /nfs/dbraw/zinc/47/70/04/648477004.db2.gz YVLMRJDRGYJDKR-UHFFFAOYSA-N 2 1 291.395 2.107 20 5 CEBDMP Cc1c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000131510765 652432110 /nfs/dbraw/zinc/43/21/10/652432110.db2.gz XKQVDTAEAZGAMI-JQWIXIFHSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000723701572 811029679 /nfs/dbraw/zinc/02/96/79/811029679.db2.gz OBKOAQQVMNTXBQ-LBPRGKRZSA-N 2 1 263.341 2.074 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000592493971 345360338 /nfs/dbraw/zinc/36/03/38/345360338.db2.gz MEHFMVARPGRXDC-ZDUSSCGKSA-N 2 1 275.352 2.169 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000592493971 345360340 /nfs/dbraw/zinc/36/03/40/345360340.db2.gz MEHFMVARPGRXDC-ZDUSSCGKSA-N 2 1 275.352 2.169 20 5 CEBDMP C[N@H+](CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000601108465 346754684 /nfs/dbraw/zinc/75/46/84/346754684.db2.gz KQDFUCMDFFIKNI-UHFFFAOYSA-N 2 1 286.335 2.071 20 5 CEBDMP C[N@@H+](CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000601108465 346754685 /nfs/dbraw/zinc/75/46/85/346754685.db2.gz KQDFUCMDFFIKNI-UHFFFAOYSA-N 2 1 286.335 2.071 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000070534359 363093478 /nfs/dbraw/zinc/09/34/78/363093478.db2.gz GOWAOXZLPYFVES-ZDUSSCGKSA-N 2 1 263.341 2.298 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000070534359 363093488 /nfs/dbraw/zinc/09/34/88/363093488.db2.gz GOWAOXZLPYFVES-ZDUSSCGKSA-N 2 1 263.341 2.298 20 5 CEBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842797 365182820 /nfs/dbraw/zinc/18/28/20/365182820.db2.gz ZBKXKUIMYFIYCM-OAHLLOKOSA-N 2 1 291.395 2.411 20 5 CEBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842797 365182825 /nfs/dbraw/zinc/18/28/25/365182825.db2.gz ZBKXKUIMYFIYCM-OAHLLOKOSA-N 2 1 291.395 2.411 20 5 CEBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842797 365182831 /nfs/dbraw/zinc/18/28/31/365182831.db2.gz ZBKXKUIMYFIYCM-OAHLLOKOSA-N 2 1 291.395 2.411 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227374771 370369116 /nfs/dbraw/zinc/36/91/16/370369116.db2.gz CXASYQGXAZKBDH-GXTWGEPZSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227374771 370369120 /nfs/dbraw/zinc/36/91/20/370369120.db2.gz CXASYQGXAZKBDH-GXTWGEPZSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227374771 370369126 /nfs/dbraw/zinc/36/91/26/370369126.db2.gz CXASYQGXAZKBDH-GXTWGEPZSA-N 2 1 277.368 2.476 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226537880 370344933 /nfs/dbraw/zinc/34/49/33/370344933.db2.gz HCUNGKVHOLQLPQ-SDDRHHMPSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697825 371469817 /nfs/dbraw/zinc/46/98/17/371469817.db2.gz JRIVLYKCKCCGSY-UTUOFQBUSA-N 2 1 263.341 2.325 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261695815 371703598 /nfs/dbraw/zinc/70/35/98/371703598.db2.gz LAJFRUOYJDHWKB-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261695815 371703602 /nfs/dbraw/zinc/70/36/02/371703602.db2.gz LAJFRUOYJDHWKB-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000386129302 375253180 /nfs/dbraw/zinc/25/31/80/375253180.db2.gz OGZSUTBPDFHFKR-DOMZBBRYSA-N 2 1 277.368 2.258 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 ZINC000423246666 377166596 /nfs/dbraw/zinc/16/65/96/377166596.db2.gz ZRFDNONGMSMHKG-CABCVRRESA-N 2 1 289.379 2.258 20 5 CEBDMP C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1c[nH+]ccc1N ZINC000422796004 394792209 /nfs/dbraw/zinc/79/22/09/394792209.db2.gz XHTXZQHYRJNHNT-LLVKDONJSA-N 2 1 286.335 2.296 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414905249 394797627 /nfs/dbraw/zinc/79/76/27/394797627.db2.gz OFUOOSZYCCFIEC-HNNXBMFYSA-N 2 1 277.368 2.383 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414972122 394832724 /nfs/dbraw/zinc/83/27/24/394832724.db2.gz MBQDUPWXOXTKJJ-AWEZNQCLSA-N 2 1 277.368 2.381 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049554069 524590087 /nfs/dbraw/zinc/59/00/87/524590087.db2.gz AANPMYFCEJYVMK-LBPRGKRZSA-N 2 1 265.357 2.333 20 5 CEBDMP C[C@@H](CC[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841052404 632353930 /nfs/dbraw/zinc/35/39/30/632353930.db2.gz VCYPMUGSYHNPMJ-QMMMGPOBSA-N 2 1 257.721 2.075 20 5 CEBDMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841064485 639639268 /nfs/dbraw/zinc/63/92/68/639639268.db2.gz RDCOXVGXLSPNDU-CABZTGNLSA-N 2 1 283.759 2.336 20 5 CEBDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843130020 640296208 /nfs/dbraw/zinc/29/62/08/640296208.db2.gz WQHBLSMRAMEWOA-RKDXNWHRSA-N 2 1 271.748 2.464 20 5 CEBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843354683 640400668 /nfs/dbraw/zinc/40/06/68/640400668.db2.gz BYZAQYYKGRNPOF-UHFFFAOYSA-N 2 1 293.367 2.175 20 5 CEBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929842254 640452901 /nfs/dbraw/zinc/45/29/01/640452901.db2.gz RYRHVSARKVODFZ-AWEZNQCLSA-N 2 1 283.416 2.240 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923510866 643746456 /nfs/dbraw/zinc/74/64/56/643746456.db2.gz XRZPBLGNWIMVCY-YPMHNXCESA-N 2 1 263.341 2.012 20 5 CEBDMP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000866661662 647859004 /nfs/dbraw/zinc/85/90/04/647859004.db2.gz RVTYPTMBGMSYMW-CQSZACIVSA-N 2 1 265.357 2.366 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000723675127 802922851 /nfs/dbraw/zinc/92/28/51/802922851.db2.gz LUXWBXDWTSOGDX-GFCCVEGCSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000723894196 802965915 /nfs/dbraw/zinc/96/59/15/802965915.db2.gz JIRPYDNZQQTEJP-TZMCWYRMSA-N 2 1 277.368 2.320 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC000723906827 802966484 /nfs/dbraw/zinc/96/64/84/802966484.db2.gz XNPJKEKLYZILQN-MWLCHTKSSA-N 2 1 269.370 2.073 20 5 CEBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001168997240 811326377 /nfs/dbraw/zinc/32/63/77/811326377.db2.gz YFAIAIMFVXPPGG-XHSDSOJGSA-N 2 1 295.427 2.286 20 5 CEBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001168997240 811326384 /nfs/dbraw/zinc/32/63/84/811326384.db2.gz YFAIAIMFVXPPGG-XHSDSOJGSA-N 2 1 295.427 2.286 20 5 CEBDMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215116 815623616 /nfs/dbraw/zinc/62/36/16/815623616.db2.gz SJQFJEULIYNFQV-LLVKDONJSA-N 2 1 288.351 2.405 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173232796 815632455 /nfs/dbraw/zinc/63/24/55/815632455.db2.gz HYXNBLSZQKPWEZ-YUELXQCFSA-N 2 1 289.379 2.019 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173232796 815632459 /nfs/dbraw/zinc/63/24/59/815632459.db2.gz HYXNBLSZQKPWEZ-YUELXQCFSA-N 2 1 289.379 2.019 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001173232796 815632463 /nfs/dbraw/zinc/63/24/63/815632463.db2.gz HYXNBLSZQKPWEZ-YUELXQCFSA-N 2 1 289.379 2.019 20 5 CEBDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668391 361919476 /nfs/dbraw/zinc/91/94/76/361919476.db2.gz RTALSCDTFWTLDZ-XUJVJEKNSA-N 2 1 277.368 2.413 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668391 361919480 /nfs/dbraw/zinc/91/94/80/361919480.db2.gz RTALSCDTFWTLDZ-XUJVJEKNSA-N 2 1 277.368 2.413 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000124499177 344315125 /nfs/dbraw/zinc/31/51/25/344315125.db2.gz VKZUKEAGSZJXKG-GWCFXTLKSA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000124499177 344315128 /nfs/dbraw/zinc/31/51/28/344315128.db2.gz VKZUKEAGSZJXKG-GWCFXTLKSA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594738117 345682699 /nfs/dbraw/zinc/68/26/99/345682699.db2.gz HYQBRLZAACOSRO-UHFFFAOYSA-N 2 1 263.341 2.264 20 5 CEBDMP C[N@H+]1CCCC[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598994417 346443330 /nfs/dbraw/zinc/44/33/30/346443330.db2.gz MNEDCJTYBPINCI-CQSZACIVSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598994417 346443334 /nfs/dbraw/zinc/44/33/34/346443334.db2.gz MNEDCJTYBPINCI-CQSZACIVSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598994417 346443336 /nfs/dbraw/zinc/44/33/36/346443336.db2.gz MNEDCJTYBPINCI-CQSZACIVSA-N 2 1 277.368 2.416 20 5 CEBDMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271821265 191349099 /nfs/dbraw/zinc/34/90/99/191349099.db2.gz MZMJDJJEUXZGTB-UHFFFAOYSA-N 2 1 275.352 2.255 20 5 CEBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000346641288 368746234 /nfs/dbraw/zinc/74/62/34/368746234.db2.gz BLACDKLDSAETDU-LOWFTVKWSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252773728 371476761 /nfs/dbraw/zinc/47/67/61/371476761.db2.gz MVGHSBQDESDVKV-LOWVWBTDSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253189743 371501773 /nfs/dbraw/zinc/50/17/73/371501773.db2.gz KOAYSSVQIBDGEN-WCQYABFASA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253189743 371501778 /nfs/dbraw/zinc/50/17/78/371501778.db2.gz KOAYSSVQIBDGEN-WCQYABFASA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261575327 371657582 /nfs/dbraw/zinc/65/75/82/371657582.db2.gz BLURZDQVJOZHID-RISCZKNCSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261575327 371657587 /nfs/dbraw/zinc/65/75/87/371657587.db2.gz BLURZDQVJOZHID-RISCZKNCSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268932135 372292030 /nfs/dbraw/zinc/29/20/30/372292030.db2.gz NBJPTISNOZWHDA-VNHYZAJKSA-N 2 1 291.395 2.456 20 5 CEBDMP CC(C)[C@H]([NH3+])C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414795136 375977664 /nfs/dbraw/zinc/97/76/64/375977664.db2.gz MQLIFDHMICEBNZ-VUDGCMKMSA-N 2 1 263.341 2.181 20 5 CEBDMP CC(C)[N@@H+](CCC[NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000414683892 375916898 /nfs/dbraw/zinc/91/68/98/375916898.db2.gz CICQXVLREGRVID-UHFFFAOYSA-N 2 1 251.330 2.154 20 5 CEBDMP C[NH2+]CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423202232 377118331 /nfs/dbraw/zinc/11/83/31/377118331.db2.gz QJBKBPKXSRCJFG-CQSZACIVSA-N 2 1 263.341 2.171 20 5 CEBDMP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000423287201 377217172 /nfs/dbraw/zinc/21/71/72/377217172.db2.gz KVRNJOBSTSZCTA-SNVBAGLBSA-N 2 1 251.330 2.291 20 5 CEBDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423277201 377202341 /nfs/dbraw/zinc/20/23/41/377202341.db2.gz NWXCIPOWGAIPNS-ZIAGYGMSSA-N 2 1 263.341 2.373 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973446 377518720 /nfs/dbraw/zinc/51/87/20/377518720.db2.gz BALDTNXRMKXBMR-INIZCTEOSA-N 2 1 289.379 2.479 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973446 377518730 /nfs/dbraw/zinc/51/87/30/377518730.db2.gz BALDTNXRMKXBMR-INIZCTEOSA-N 2 1 289.379 2.479 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000443062684 378031584 /nfs/dbraw/zinc/03/15/84/378031584.db2.gz UYYIBXXQHWXIQX-CYBMUJFWSA-N 2 1 293.367 2.034 20 5 CEBDMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093465643 394667107 /nfs/dbraw/zinc/66/71/07/394667107.db2.gz CGAVULCQWDLOAL-WCQYABFASA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414943967 394815168 /nfs/dbraw/zinc/81/51/68/394815168.db2.gz FZXLZELWRMJHJO-WCQYABFASA-N 2 1 263.341 2.133 20 5 CEBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH3+] ZINC000423372639 394905592 /nfs/dbraw/zinc/90/55/92/394905592.db2.gz RGXXRPOJHYYRQI-WDEREUQCSA-N 2 1 283.397 2.402 20 5 CEBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH3+] ZINC000423372637 394905773 /nfs/dbraw/zinc/90/57/73/394905773.db2.gz RGXXRPOJHYYRQI-QWRGUYRKSA-N 2 1 283.397 2.402 20 5 CEBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420302930 395307921 /nfs/dbraw/zinc/30/79/21/395307921.db2.gz MTSQQDVYKVZJJF-CYBMUJFWSA-N 2 1 289.379 2.343 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000044531293 175196277 /nfs/dbraw/zinc/19/62/77/175196277.db2.gz QBTZHXJWLYLMFD-LBPRGKRZSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000044531293 175196278 /nfs/dbraw/zinc/19/62/78/175196278.db2.gz QBTZHXJWLYLMFD-LBPRGKRZSA-N 2 1 263.341 2.074 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000226537888 299000771 /nfs/dbraw/zinc/00/07/71/299000771.db2.gz HCUNGKVHOLQLPQ-SRVKXCTJSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430584858 271393930 /nfs/dbraw/zinc/39/39/30/271393930.db2.gz PKYDFKZYRFHZAM-OLZOCXBDSA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423528525 281062398 /nfs/dbraw/zinc/06/23/98/281062398.db2.gz OLZKFYQBWUBUMJ-NSHDSACASA-N 2 1 263.341 2.388 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699880 290268089 /nfs/dbraw/zinc/26/80/89/290268089.db2.gz WRQKOIJCZSTTNB-UTUOFQBUSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000049553544 524165865 /nfs/dbraw/zinc/16/58/65/524165865.db2.gz KGENBLOKVHKIJG-LLVKDONJSA-N 2 1 251.330 2.025 20 5 CEBDMP C[C@H]1[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000895736868 630326753 /nfs/dbraw/zinc/32/67/53/630326753.db2.gz LZDXKHSYPDHLSI-GXFFZTMASA-N 2 1 286.335 2.069 20 5 CEBDMP C[C@H]1[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000895736868 630326755 /nfs/dbraw/zinc/32/67/55/630326755.db2.gz LZDXKHSYPDHLSI-GXFFZTMASA-N 2 1 286.335 2.069 20 5 CEBDMP C[C@H]1[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000895736868 630326758 /nfs/dbraw/zinc/32/67/58/630326758.db2.gz LZDXKHSYPDHLSI-GXFFZTMASA-N 2 1 286.335 2.069 20 5 CEBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957302 633799603 /nfs/dbraw/zinc/79/96/03/633799603.db2.gz AIHXIFRODRRZKI-CMPLNLGQSA-N 2 1 280.372 2.201 20 5 CEBDMP CC(C)([NH3+])CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903938825 635363936 /nfs/dbraw/zinc/36/39/36/635363936.db2.gz MCDJAPJDIPGGMO-UHFFFAOYSA-N 2 1 271.748 2.465 20 5 CEBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000843355698 640401468 /nfs/dbraw/zinc/40/14/68/640401468.db2.gz UPNMMKWKFBESPX-UHFFFAOYSA-N 2 1 293.367 2.175 20 5 CEBDMP C[N@H+](CCC[NH2+]C1CC1)CCc1ccccc1[N+](=O)[O-] ZINC000923376640 643686261 /nfs/dbraw/zinc/68/62/61/643686261.db2.gz MNPHAIPOHZJQLE-UHFFFAOYSA-N 2 1 277.368 2.211 20 5 CEBDMP C[N@@H+](CCC[NH2+]C1CC1)CCc1ccccc1[N+](=O)[O-] ZINC000923376640 643686264 /nfs/dbraw/zinc/68/62/64/643686264.db2.gz MNPHAIPOHZJQLE-UHFFFAOYSA-N 2 1 277.368 2.211 20 5 CEBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000723684107 802923831 /nfs/dbraw/zinc/92/38/31/802923831.db2.gz VQROZYBRYYEYEK-JTQLQIEISA-N 2 1 283.759 2.419 20 5 CEBDMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169003588 811329532 /nfs/dbraw/zinc/32/95/32/811329532.db2.gz OKSMYBWSMQGUCQ-SOUVJXGZSA-N 2 1 283.416 2.273 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001173232793 815633148 /nfs/dbraw/zinc/63/31/48/815633148.db2.gz HYXNBLSZQKPWEZ-AEGPPILISA-N 2 1 289.379 2.019 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001173232793 815633153 /nfs/dbraw/zinc/63/31/53/815633153.db2.gz HYXNBLSZQKPWEZ-AEGPPILISA-N 2 1 289.379 2.019 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001173232793 815633158 /nfs/dbraw/zinc/63/31/58/815633158.db2.gz HYXNBLSZQKPWEZ-AEGPPILISA-N 2 1 289.379 2.019 20 5 CEBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655338 361919791 /nfs/dbraw/zinc/91/97/91/361919791.db2.gz CFSPGFGBNONKEZ-ZDUSSCGKSA-N 2 1 263.341 2.026 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655338 361919796 /nfs/dbraw/zinc/91/97/96/361919796.db2.gz CFSPGFGBNONKEZ-ZDUSSCGKSA-N 2 1 263.341 2.026 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090909862 344146642 /nfs/dbraw/zinc/14/66/42/344146642.db2.gz YOFNZAGIOPXYER-DOMZBBRYSA-N 2 1 277.368 2.067 20 5 CEBDMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000404762981 344882020 /nfs/dbraw/zinc/88/20/20/344882020.db2.gz KCQNXYIJSMWXDN-TVYUQYBPSA-N 2 1 263.341 2.371 20 5 CEBDMP CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592488989 345359697 /nfs/dbraw/zinc/35/96/97/345359697.db2.gz OQZJGCLVNVECPJ-DOMZBBRYSA-N 2 1 293.367 2.033 20 5 CEBDMP CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000603431126 347368592 /nfs/dbraw/zinc/36/85/92/347368592.db2.gz FCNGOOADPIOJEB-NWDGAFQWSA-N 2 1 283.759 2.464 20 5 CEBDMP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163449803 367240642 /nfs/dbraw/zinc/24/06/42/367240642.db2.gz JNFHSTYBIPYQCE-AAEUAGOBSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163449803 367240643 /nfs/dbraw/zinc/24/06/43/367240643.db2.gz JNFHSTYBIPYQCE-AAEUAGOBSA-N 2 1 263.341 2.012 20 5 CEBDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000221788358 370246095 /nfs/dbraw/zinc/24/60/95/370246095.db2.gz RZAQOGKUAPCBMO-UHFFFAOYSA-N 2 1 265.357 2.415 20 5 CEBDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000221788358 370246099 /nfs/dbraw/zinc/24/60/99/370246099.db2.gz RZAQOGKUAPCBMO-UHFFFAOYSA-N 2 1 265.357 2.415 20 5 CEBDMP Cc1c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000252880362 371486502 /nfs/dbraw/zinc/48/65/02/371486502.db2.gz YIOMDRATRKZWDY-SOUVJXGZSA-N 2 1 289.379 2.462 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261622391 371681798 /nfs/dbraw/zinc/68/17/98/371681798.db2.gz UUXZFLMXAIOQSM-COPLHBTASA-N 2 1 263.341 2.243 20 5 CEBDMP Cc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000423287200 377217383 /nfs/dbraw/zinc/21/73/83/377217383.db2.gz KVRNJOBSTSZCTA-JTQLQIEISA-N 2 1 251.330 2.291 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000443062302 378031732 /nfs/dbraw/zinc/03/17/32/378031732.db2.gz UJYXZLUYBGJMKA-CYBMUJFWSA-N 2 1 293.367 2.034 20 5 CEBDMP [NH3+]C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347170225 218144195 /nfs/dbraw/zinc/14/41/95/218144195.db2.gz NMMSMRBTHGMXCE-LLPBQKLSSA-N 2 1 275.352 2.279 20 5 CEBDMP [NH3+]C[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347170225 218144197 /nfs/dbraw/zinc/14/41/97/218144197.db2.gz NMMSMRBTHGMXCE-LLPBQKLSSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000311428142 394537082 /nfs/dbraw/zinc/53/70/82/394537082.db2.gz GMJKOWKUVVAFGD-BXUZGUMPSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000422778591 394777393 /nfs/dbraw/zinc/77/73/93/394777393.db2.gz ATVSHZVMSUQOCE-GXTWGEPZSA-N 2 1 277.368 2.258 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414934787 394811052 /nfs/dbraw/zinc/81/10/52/394811052.db2.gz YEPDKDFAEOUBSZ-STQMWFEESA-N 2 1 293.367 2.353 20 5 CEBDMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414949168 394819632 /nfs/dbraw/zinc/81/96/32/394819632.db2.gz YZOYHZFTDLFZRD-OBJOEFQTSA-N 2 1 277.368 2.243 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000128434255 394854766 /nfs/dbraw/zinc/85/47/66/394854766.db2.gz MLCXSSHNNDHFBA-OAHLLOKOSA-N 2 1 279.384 2.443 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414775261 263043646 /nfs/dbraw/zinc/04/36/46/263043646.db2.gz GJFSKBGQXCLAOB-HUUCEWRRSA-N 2 1 289.379 2.416 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397229087 270352706 /nfs/dbraw/zinc/35/27/06/270352706.db2.gz DRZXJIPKGAAEIK-DYEKYZERSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397227197 270352834 /nfs/dbraw/zinc/35/28/34/270352834.db2.gz CPEKQQRLNHPHMG-YRGRVCCFSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397227197 270352835 /nfs/dbraw/zinc/35/28/35/270352835.db2.gz CPEKQQRLNHPHMG-YRGRVCCFSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414949171 278251012 /nfs/dbraw/zinc/25/10/12/278251012.db2.gz YZOYHZFTDLFZRD-SCRDCRAPSA-N 2 1 277.368 2.243 20 5 CEBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459731271 290219886 /nfs/dbraw/zinc/21/98/86/290219886.db2.gz LCXUVMGKIWUTHX-ZDUSSCGKSA-N 2 1 277.368 2.416 20 5 CEBDMP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000902429025 634650363 /nfs/dbraw/zinc/65/03/63/634650363.db2.gz JJIDYFXBEBDGDZ-BZPMIXESSA-N 2 1 277.368 2.428 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469444 635141322 /nfs/dbraw/zinc/14/13/22/635141322.db2.gz VBOQWKYWTNTYHM-CQSZACIVSA-N 2 1 275.352 2.012 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000229093113 643381493 /nfs/dbraw/zinc/38/14/93/643381493.db2.gz BAUSBYCXBLGEEJ-FZMZJTMJSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000229093113 643381504 /nfs/dbraw/zinc/38/15/04/643381504.db2.gz BAUSBYCXBLGEEJ-FZMZJTMJSA-N 2 1 277.368 2.320 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520905 643749404 /nfs/dbraw/zinc/74/94/04/643749404.db2.gz WEKFQDGVCJJBLG-KWCYVHTRSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520905 643749409 /nfs/dbraw/zinc/74/94/09/643749409.db2.gz WEKFQDGVCJJBLG-KWCYVHTRSA-N 2 1 275.352 2.197 20 5 CEBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998379 811326480 /nfs/dbraw/zinc/32/64/80/811326480.db2.gz LYZNDVPSZUHEMU-FPCVCCKLSA-N 2 1 295.427 2.414 20 5 CEBDMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222629 815627126 /nfs/dbraw/zinc/62/71/26/815627126.db2.gz YBZQRUCUGVAFKM-VXGBXAGGSA-N 2 1 265.357 2.052 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108961 282103257 /nfs/dbraw/zinc/10/32/57/282103257.db2.gz UNHAKUNJWOBEAT-LBPRGKRZSA-N 2 1 288.351 2.321 20 5 CEBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644467 361917804 /nfs/dbraw/zinc/91/78/04/361917804.db2.gz YZPNEGIXXKQZIR-CQSZACIVSA-N 2 1 277.368 2.335 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644467 361917811 /nfs/dbraw/zinc/91/78/11/361917811.db2.gz YZPNEGIXXKQZIR-CQSZACIVSA-N 2 1 277.368 2.335 20 5 CEBDMP CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122772305 344307608 /nfs/dbraw/zinc/30/76/08/344307608.db2.gz DYQQGLZGSBZJTB-HIFRSBDPSA-N 2 1 277.368 2.197 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427760 345352244 /nfs/dbraw/zinc/35/22/44/345352244.db2.gz ZDQUCQYUOMMTSC-KGLIPLIRSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427760 345352245 /nfs/dbraw/zinc/35/22/45/345352245.db2.gz ZDQUCQYUOMMTSC-KGLIPLIRSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000592484935 345359501 /nfs/dbraw/zinc/35/95/01/345359501.db2.gz JQWWKUYEZRRVAL-LLVKDONJSA-N 2 1 263.341 2.469 20 5 CEBDMP CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489502 345359708 /nfs/dbraw/zinc/35/97/08/345359708.db2.gz YCWVBEORJPVNFC-CHWSQXEVSA-N 2 1 293.367 2.033 20 5 CEBDMP CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489502 345359711 /nfs/dbraw/zinc/35/97/11/345359711.db2.gz YCWVBEORJPVNFC-CHWSQXEVSA-N 2 1 293.367 2.033 20 5 CEBDMP C[N@@H+]1CCC[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000598993337 346443436 /nfs/dbraw/zinc/44/34/36/346443436.db2.gz KUYNNJGMNOGTPV-HJHHMULASA-N 2 1 275.352 2.292 20 5 CEBDMP C[N@H+]1CCC[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000598993337 346443438 /nfs/dbraw/zinc/44/34/38/346443438.db2.gz KUYNNJGMNOGTPV-HJHHMULASA-N 2 1 275.352 2.292 20 5 CEBDMP C[N@H+]1CCCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602723609 347171517 /nfs/dbraw/zinc/17/15/17/347171517.db2.gz OCMCHIGTLDVNQT-OAHLLOKOSA-N 2 1 291.395 2.459 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000273419699 192144009 /nfs/dbraw/zinc/14/40/09/192144009.db2.gz QMCHHUKSHMBYNV-UHFFFAOYSA-N 2 1 275.352 2.255 20 5 CEBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000091844171 180269307 /nfs/dbraw/zinc/26/93/07/180269307.db2.gz PLUHCAHZAVNFAO-UHFFFAOYSA-N 2 1 263.341 2.297 20 5 CEBDMP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000091844239 180269453 /nfs/dbraw/zinc/26/94/53/180269453.db2.gz CPBXSSGRZNUQGY-UHFFFAOYSA-N 2 1 263.341 2.297 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868268 186144914 /nfs/dbraw/zinc/14/49/14/186144914.db2.gz WFIMYCJVXHNRDO-UKRRQHHQSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868268 186144916 /nfs/dbraw/zinc/14/49/16/186144916.db2.gz WFIMYCJVXHNRDO-UKRRQHHQSA-N 2 1 275.352 2.311 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074504 363026610 /nfs/dbraw/zinc/02/66/10/363026610.db2.gz SKIOAHYSDCMWAM-WCQYABFASA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074504 363026614 /nfs/dbraw/zinc/02/66/14/363026614.db2.gz SKIOAHYSDCMWAM-WCQYABFASA-N 2 1 263.341 2.154 20 5 CEBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358502928 371095052 /nfs/dbraw/zinc/09/50/52/371095052.db2.gz CYKWHJWTCQOTTQ-UHFFFAOYSA-N 2 1 293.342 2.309 20 5 CEBDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000252894524 371488656 /nfs/dbraw/zinc/48/86/56/371488656.db2.gz VWNLPHAPNLNJAQ-DGCLKSJQSA-N 2 1 293.367 2.033 20 5 CEBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000252894524 371488659 /nfs/dbraw/zinc/48/86/59/371488659.db2.gz VWNLPHAPNLNJAQ-DGCLKSJQSA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000252892091 371489130 /nfs/dbraw/zinc/48/91/30/371489130.db2.gz MWVNKGJQDDBWAQ-BXUZGUMPSA-N 2 1 263.341 2.025 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000252892091 371489133 /nfs/dbraw/zinc/48/91/33/371489133.db2.gz MWVNKGJQDDBWAQ-BXUZGUMPSA-N 2 1 263.341 2.025 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420387401 376687498 /nfs/dbraw/zinc/68/74/98/376687498.db2.gz WBWDBLDCKZCQJO-MRXNPFEDSA-N 2 1 289.379 2.213 20 5 CEBDMP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000423256138 377176717 /nfs/dbraw/zinc/17/67/17/377176717.db2.gz BHVJBDUGEIQBOO-NEPJUHHUSA-N 2 1 295.383 2.500 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000443062303 378032033 /nfs/dbraw/zinc/03/20/33/378032033.db2.gz UJYXZLUYBGJMKA-ZDUSSCGKSA-N 2 1 293.367 2.034 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[NH2+]C1 ZINC000414861066 394775821 /nfs/dbraw/zinc/77/58/21/394775821.db2.gz DUVNXTNRIUSSMT-OCCSQVGLSA-N 2 1 277.368 2.258 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414861061 394775994 /nfs/dbraw/zinc/77/59/94/394775994.db2.gz DUVNXTNRIUSSMT-GXTWGEPZSA-N 2 1 277.368 2.258 20 5 CEBDMP CC1(C)C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cc([N+](=O)[O-])ccc21 ZINC000423455744 394924734 /nfs/dbraw/zinc/92/47/34/394924734.db2.gz MSPFWGWVVUHQCG-MYZSUADSSA-N 2 1 287.363 2.125 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000158120744 395038445 /nfs/dbraw/zinc/03/84/45/395038445.db2.gz KYMAFDRWULCWTF-RISCZKNCSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000158120744 395038449 /nfs/dbraw/zinc/03/84/49/395038449.db2.gz KYMAFDRWULCWTF-RISCZKNCSA-N 2 1 277.368 2.476 20 5 CEBDMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1[N+](=O)[O-] ZINC000420316078 395320017 /nfs/dbraw/zinc/32/00/17/395320017.db2.gz MIQLXVVWDIXGAX-CYBMUJFWSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CC[NH2+]C1 ZINC000420363182 395350108 /nfs/dbraw/zinc/35/01/08/395350108.db2.gz BIMDSULZQVVWQX-CYBMUJFWSA-N 2 1 277.368 2.069 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408324 173184484 /nfs/dbraw/zinc/18/44/84/173184484.db2.gz CCXCKUPNYNYRCN-ZDUSSCGKSA-N 2 1 275.352 2.169 20 5 CEBDMP CC[NH2+]CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515634231 313074846 /nfs/dbraw/zinc/07/48/46/313074846.db2.gz SWBXONBXHGIJEN-LLVKDONJSA-N 2 1 251.330 2.245 20 5 CEBDMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959385 633800725 /nfs/dbraw/zinc/80/07/25/633800725.db2.gz CQAQCNBBVZBGRY-JTQLQIEISA-N 2 1 280.372 2.345 20 5 CEBDMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CC[N+](=O)[O-])C1 ZINC000905046204 635786482 /nfs/dbraw/zinc/78/64/82/635786482.db2.gz ORASBRAMDIKSJT-CQSZACIVSA-N 2 1 291.395 2.285 20 5 CEBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC[N+](=O)[O-])C1 ZINC000905046204 635786483 /nfs/dbraw/zinc/78/64/83/635786483.db2.gz ORASBRAMDIKSJT-CQSZACIVSA-N 2 1 291.395 2.285 20 5 CEBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001168997235 811326353 /nfs/dbraw/zinc/32/63/53/811326353.db2.gz YFAIAIMFVXPPGG-OAGGEKHMSA-N 2 1 295.427 2.286 20 5 CEBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001168997235 811326365 /nfs/dbraw/zinc/32/63/65/811326365.db2.gz YFAIAIMFVXPPGG-OAGGEKHMSA-N 2 1 295.427 2.286 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335617 346824648 /nfs/dbraw/zinc/82/46/48/346824648.db2.gz WKWFIAYNUHWBFZ-HIFRSBDPSA-N 2 1 275.352 2.169 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335617 346824654 /nfs/dbraw/zinc/82/46/54/346824654.db2.gz WKWFIAYNUHWBFZ-HIFRSBDPSA-N 2 1 275.352 2.169 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910134 344146413 /nfs/dbraw/zinc/14/64/13/344146413.db2.gz BFLRKIAVVVSVMA-WWGRRREGSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000252710454 371471543 /nfs/dbraw/zinc/47/15/43/371471543.db2.gz GSUNPWOQXCBCKX-TZMCWYRMSA-N 2 1 277.368 2.067 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781931 375965427 /nfs/dbraw/zinc/96/54/27/375965427.db2.gz NTCMYRKJLNEGQQ-ZIAGYGMSSA-N 2 1 289.379 2.416 20 5 CEBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422922067 376861079 /nfs/dbraw/zinc/86/10/79/376861079.db2.gz RTTFBFWONVFWRJ-NSHDSACASA-N 2 1 263.341 2.306 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346839582 218033253 /nfs/dbraw/zinc/03/32/53/218033253.db2.gz YNURRUOMIBCVBR-NUEKZKHPSA-N 2 1 289.379 2.462 20 5 CEBDMP CCC[N@H+](CC)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219403992 394458945 /nfs/dbraw/zinc/45/89/45/394458945.db2.gz BUTVULDLRUBJLQ-UHFFFAOYSA-N 2 1 279.384 2.459 20 5 CEBDMP CCC[N@@H+](CC)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219403992 394458949 /nfs/dbraw/zinc/45/89/49/394458949.db2.gz BUTVULDLRUBJLQ-UHFFFAOYSA-N 2 1 279.384 2.459 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422722254 394740459 /nfs/dbraw/zinc/74/04/59/394740459.db2.gz XJHBWPUUEQOTJP-SMDDNHRTSA-N 2 1 293.367 2.081 20 5 CEBDMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423362226 394901350 /nfs/dbraw/zinc/90/13/50/394901350.db2.gz MYHGHRBICZFGFI-DGCLKSJQSA-N 2 1 263.341 2.388 20 5 CEBDMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423371940 394904603 /nfs/dbraw/zinc/90/46/03/394904603.db2.gz VODFYEIPMNHUBP-DGCLKSJQSA-N 2 1 263.341 2.388 20 5 CEBDMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423523938 394945165 /nfs/dbraw/zinc/94/51/65/394945165.db2.gz IZYSRKMOIHHJNO-NSHDSACASA-N 2 1 263.341 2.388 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420283391 395293576 /nfs/dbraw/zinc/29/35/76/395293576.db2.gz CCUGSAZEFZOHPI-NEPJUHHUSA-N 2 1 263.341 2.245 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000420298900 395304646 /nfs/dbraw/zinc/30/46/46/395304646.db2.gz ADKQERKUXVDMNU-NSHDSACASA-N 2 1 263.341 2.435 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338825 287145099 /nfs/dbraw/zinc/14/50/99/287145099.db2.gz MOHCUTQHTGMYKD-SUNKGSAMSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338825 287145100 /nfs/dbraw/zinc/14/51/00/287145100.db2.gz MOHCUTQHTGMYKD-SUNKGSAMSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414949173 278250760 /nfs/dbraw/zinc/25/07/60/278250760.db2.gz YZOYHZFTDLFZRD-SGMGOOAPSA-N 2 1 277.368 2.243 20 5 CEBDMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902430081 634651854 /nfs/dbraw/zinc/65/18/54/634651854.db2.gz OEYZXAYOYYBSAR-BZPMIXESSA-N 2 1 277.368 2.428 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583942 633034496 /nfs/dbraw/zinc/03/44/96/633034496.db2.gz RNYLMDXKFDUWEZ-MDZLAQPJSA-N 2 1 292.383 2.310 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583942 633034501 /nfs/dbraw/zinc/03/45/01/633034501.db2.gz RNYLMDXKFDUWEZ-MDZLAQPJSA-N 2 1 292.383 2.310 20 5 CEBDMP C[N@H+](CCC[NH3+])Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901393694 634088076 /nfs/dbraw/zinc/08/80/76/634088076.db2.gz BFRFXGFVQJHZJY-UHFFFAOYSA-N 2 1 290.323 2.030 20 5 CEBDMP C[N@@H+](CCC[NH3+])Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901393694 634088080 /nfs/dbraw/zinc/08/80/80/634088080.db2.gz BFRFXGFVQJHZJY-UHFFFAOYSA-N 2 1 290.323 2.030 20 5 CEBDMP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000905025542 635792646 /nfs/dbraw/zinc/79/26/46/635792646.db2.gz LMWXAUVNZMRXIH-UHFFFAOYSA-N 2 1 277.368 2.039 20 5 CEBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000905262843 636181729 /nfs/dbraw/zinc/18/17/29/636181729.db2.gz KGJHPJXNDCOIQJ-MRXNPFEDSA-N 2 1 291.395 2.155 20 5 CEBDMP O=[N+]([O-])CC[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000905262843 636181735 /nfs/dbraw/zinc/18/17/35/636181735.db2.gz KGJHPJXNDCOIQJ-MRXNPFEDSA-N 2 1 291.395 2.155 20 5 CEBDMP Cc1c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000228073289 639614172 /nfs/dbraw/zinc/61/41/72/639614172.db2.gz XKQVDTAEAZGAMI-ZYHUDNBSSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000923499934 643741316 /nfs/dbraw/zinc/74/13/16/643741316.db2.gz OREPHOJCEYPVTJ-AAEUAGOBSA-N 2 1 277.368 2.320 20 5 CEBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000723683021 802923727 /nfs/dbraw/zinc/92/37/27/802923727.db2.gz NIQRWAWIZSUSCU-SNVBAGLBSA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1CC[NH3+] ZINC000723887570 802965101 /nfs/dbraw/zinc/96/51/01/802965101.db2.gz VFZUWNIKCKUEBG-GHMZBOCLSA-N 2 1 281.331 2.151 20 5 CEBDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023861 811355114 /nfs/dbraw/zinc/35/51/14/811355114.db2.gz FYADYPLCCVQUJU-CVEARBPZSA-N 2 1 297.443 2.484 20 5 CEBDMP CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251619661 344636950 /nfs/dbraw/zinc/63/69/50/344636950.db2.gz DYQQGLZGSBZJTB-DZGCQCFKSA-N 2 1 277.368 2.197 20 5 CEBDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592437178 345353275 /nfs/dbraw/zinc/35/32/75/345353275.db2.gz BHSVFUNTPFNTAR-RKDXNWHRSA-N 2 1 271.748 2.464 20 5 CEBDMP Cc1cccc(NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596423803 346020190 /nfs/dbraw/zinc/02/01/90/346020190.db2.gz CILUUMNGLOBZRN-UHFFFAOYSA-N 2 1 294.399 2.199 20 5 CEBDMP Cc1cccc(NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596423803 346020193 /nfs/dbraw/zinc/02/01/93/346020193.db2.gz CILUUMNGLOBZRN-UHFFFAOYSA-N 2 1 294.399 2.199 20 5 CEBDMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000062072791 362704976 /nfs/dbraw/zinc/70/49/76/362704976.db2.gz HPRMWJRNJQPQNC-UHFFFAOYSA-N 2 1 293.367 2.179 20 5 CEBDMP C[NH+](C)C(C)(C)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601100978 346752859 /nfs/dbraw/zinc/75/28/59/346752859.db2.gz RTGSKPKGQDWSSW-UHFFFAOYSA-N 2 1 288.351 2.317 20 5 CEBDMP C[NH+]1CCC(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581499089 366786667 /nfs/dbraw/zinc/78/66/67/366786667.db2.gz SLLOHJYHTLCLJT-CQSZACIVSA-N 2 1 275.352 2.266 20 5 CEBDMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581499089 366786676 /nfs/dbraw/zinc/78/66/76/366786676.db2.gz SLLOHJYHTLCLJT-CQSZACIVSA-N 2 1 275.352 2.266 20 5 CEBDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000276524257 193366979 /nfs/dbraw/zinc/36/69/79/193366979.db2.gz CMHOLGPGGIOVBP-NSHDSACASA-N 2 1 274.324 2.222 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414821493 376008099 /nfs/dbraw/zinc/00/80/99/376008099.db2.gz CGOKBFSJRLNAJS-OCCSQVGLSA-N 2 1 277.368 2.258 20 5 CEBDMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267014 377184611 /nfs/dbraw/zinc/18/46/11/377184611.db2.gz DOIGTKQCANKYLS-MNOVXSKESA-N 2 1 251.330 2.101 20 5 CEBDMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583720 377640566 /nfs/dbraw/zinc/64/05/66/377640566.db2.gz FAFJOJPRGDMFLU-WDEREUQCSA-N 2 1 280.372 2.168 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442919512 378017354 /nfs/dbraw/zinc/01/73/54/378017354.db2.gz JKNBYTXEUQTACU-CYBMUJFWSA-N 2 1 277.368 2.464 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346836730 218030051 /nfs/dbraw/zinc/03/00/51/218030051.db2.gz VBOITAZUEILMII-QEJZJMRPSA-N 2 1 275.352 2.072 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697824 394573311 /nfs/dbraw/zinc/57/33/11/394573311.db2.gz JRIVLYKCKCCGSY-IJLUTSLNSA-N 2 1 263.341 2.325 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414905252 394797894 /nfs/dbraw/zinc/79/78/94/394797894.db2.gz OFUOOSZYCCFIEC-OAHLLOKOSA-N 2 1 277.368 2.383 20 5 CEBDMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902430083 634651082 /nfs/dbraw/zinc/65/10/82/634651082.db2.gz OEYZXAYOYYBSAR-MBNYWOFBSA-N 2 1 277.368 2.428 20 5 CEBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CCC[NH2+]C1 ZINC000904349976 635584341 /nfs/dbraw/zinc/58/43/41/635584341.db2.gz FOHPNKSIGQJYMA-MRXNPFEDSA-N 2 1 291.395 2.459 20 5 CEBDMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905045916 635786959 /nfs/dbraw/zinc/78/69/59/635786959.db2.gz MZEBRQOMNXCEBX-AWEZNQCLSA-N 2 1 291.395 2.427 20 5 CEBDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905045916 635786966 /nfs/dbraw/zinc/78/69/66/635786966.db2.gz MZEBRQOMNXCEBX-AWEZNQCLSA-N 2 1 291.395 2.427 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000841033559 639626613 /nfs/dbraw/zinc/62/66/13/639626613.db2.gz VJCKQFFXHLTNRQ-NSHDSACASA-N 2 1 283.759 2.337 20 5 CEBDMP [NH3+]CCCCCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000842475784 640075980 /nfs/dbraw/zinc/07/59/80/640075980.db2.gz CMICJDQPULUQHW-UHFFFAOYSA-N 2 1 292.383 2.257 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000873140557 649568353 /nfs/dbraw/zinc/56/83/53/649568353.db2.gz PXIRJSBPEBLUNE-UHFFFAOYSA-N 2 1 288.351 2.277 20 5 CEBDMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168956537 811312440 /nfs/dbraw/zinc/31/24/40/811312440.db2.gz BMRUXEXKDFWRRM-UONOGXRCSA-N 2 1 271.405 2.140 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326516 346822317 /nfs/dbraw/zinc/82/23/17/346822317.db2.gz ONSFDRQBXUSGPK-FRRDWIJNSA-N 2 1 277.368 2.491 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122352558 344306029 /nfs/dbraw/zinc/30/60/29/344306029.db2.gz ALJYCOQBKZHWMV-JSGCOSHPSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122352558 344306030 /nfs/dbraw/zinc/30/60/30/344306030.db2.gz ALJYCOQBKZHWMV-JSGCOSHPSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000404762983 344881966 /nfs/dbraw/zinc/88/19/66/344881966.db2.gz KCQNXYIJSMWXDN-ZWKOPEQDSA-N 2 1 263.341 2.371 20 5 CEBDMP CC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489031 345359258 /nfs/dbraw/zinc/35/92/58/345359258.db2.gz PJVAXIZRMNEPFJ-SWLSCSKDSA-N 2 1 293.367 2.033 20 5 CEBDMP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596652856 346072013 /nfs/dbraw/zinc/07/20/13/346072013.db2.gz JISAOLUXKDKUTG-FZMZJTMJSA-N 2 1 277.368 2.113 20 5 CEBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000459722508 290217555 /nfs/dbraw/zinc/21/75/55/290217555.db2.gz BPARGOXOVNNMQD-CYBMUJFWSA-N 2 1 277.368 2.416 20 5 CEBDMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344337 366306437 /nfs/dbraw/zinc/30/64/37/366306437.db2.gz BBKJSKNPNRVVBW-UHFFFAOYSA-N 2 1 288.351 2.274 20 5 CEBDMP Cc1[nH+]ccn1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344337 366306441 /nfs/dbraw/zinc/30/64/41/366306441.db2.gz BBKJSKNPNRVVBW-UHFFFAOYSA-N 2 1 288.351 2.274 20 5 CEBDMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414798419 236484534 /nfs/dbraw/zinc/48/45/34/236484534.db2.gz JBDJWNZRWWETMY-QMTHXVAHSA-N 2 1 281.331 2.341 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674034 371467255 /nfs/dbraw/zinc/46/72/55/371467255.db2.gz NZBPTKGHGVTEDE-KBPBESRZSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674034 371467257 /nfs/dbraw/zinc/46/72/57/371467257.db2.gz NZBPTKGHGVTEDE-KBPBESRZSA-N 2 1 275.352 2.311 20 5 CEBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000414765283 375954534 /nfs/dbraw/zinc/95/45/34/375954534.db2.gz BMIYKBBUKSFYJD-GQCTYLIASA-N 2 1 261.325 2.030 20 5 CEBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000414765283 375954538 /nfs/dbraw/zinc/95/45/38/375954538.db2.gz BMIYKBBUKSFYJD-GQCTYLIASA-N 2 1 261.325 2.030 20 5 CEBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[NH3+] ZINC000423333240 377263683 /nfs/dbraw/zinc/26/36/83/377263683.db2.gz RGXXRPOJHYYRQI-GHMZBOCLSA-N 2 1 283.397 2.402 20 5 CEBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583718 377640803 /nfs/dbraw/zinc/64/08/03/377640803.db2.gz FAFJOJPRGDMFLU-QWRGUYRKSA-N 2 1 280.372 2.168 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346825735 218026744 /nfs/dbraw/zinc/02/67/44/218026744.db2.gz GRIBILONLZJFOR-IHRRRGAJSA-N 2 1 275.352 2.072 20 5 CEBDMP C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000346993798 218082921 /nfs/dbraw/zinc/08/29/21/218082921.db2.gz AVCRZMQZIHLGLR-FAQJLRJSSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000346993798 218082924 /nfs/dbraw/zinc/08/29/24/218082924.db2.gz AVCRZMQZIHLGLR-FAQJLRJSSA-N 2 1 275.352 2.277 20 5 CEBDMP CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423423720 394919883 /nfs/dbraw/zinc/91/98/83/394919883.db2.gz DXHATCXSFKIZLB-LJISPDSOSA-N 2 1 275.352 2.243 20 5 CEBDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423481608 394930322 /nfs/dbraw/zinc/93/03/22/394930322.db2.gz WZYPPHBKRMZWAG-BHDSKKPTSA-N 2 1 263.341 2.298 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000183343702 525566678 /nfs/dbraw/zinc/56/66/78/525566678.db2.gz GJHNNQZGRCYGES-CYBMUJFWSA-N 2 1 277.368 2.287 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000183343702 525566686 /nfs/dbraw/zinc/56/66/86/525566686.db2.gz GJHNNQZGRCYGES-CYBMUJFWSA-N 2 1 277.368 2.287 20 5 CEBDMP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429034 634649992 /nfs/dbraw/zinc/64/99/92/634649992.db2.gz JJIDYFXBEBDGDZ-SCRDCRAPSA-N 2 1 277.368 2.428 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925732934 628687428 /nfs/dbraw/zinc/68/74/28/628687428.db2.gz HGKLVLHFYLOSEL-KGLIPLIRSA-N 2 1 275.352 2.263 20 5 CEBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000261931383 629340796 /nfs/dbraw/zinc/34/07/96/629340796.db2.gz CUJOBSCJWFUKDB-UHFFFAOYSA-N 2 1 281.381 2.232 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000841056124 632359130 /nfs/dbraw/zinc/35/91/30/632359130.db2.gz YCGWGGWATULBSA-LLVKDONJSA-N 2 1 283.759 2.480 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583940 633034767 /nfs/dbraw/zinc/03/47/67/633034767.db2.gz RNYLMDXKFDUWEZ-GMXVVIOVSA-N 2 1 292.383 2.310 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583940 633034772 /nfs/dbraw/zinc/03/47/72/633034772.db2.gz RNYLMDXKFDUWEZ-GMXVVIOVSA-N 2 1 292.383 2.310 20 5 CEBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903458717 635124338 /nfs/dbraw/zinc/12/43/38/635124338.db2.gz IAJMIBFHKAKFQO-OCCSQVGLSA-N 2 1 277.368 2.197 20 5 CEBDMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841030906 639622607 /nfs/dbraw/zinc/62/26/07/639622607.db2.gz OUWKLYLQSWQKOE-RNCFNFMXSA-N 2 1 283.759 2.465 20 5 CEBDMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000923502552 643738132 /nfs/dbraw/zinc/73/81/32/643738132.db2.gz ZXPFRMNSVLVRGE-AAEUAGOBSA-N 2 1 293.367 2.020 20 5 CEBDMP C[C@H]1C[C@@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001118020014 814977042 /nfs/dbraw/zinc/97/70/42/814977042.db2.gz SQIGQPBFHQFBPX-RYUDHWBXSA-N 2 1 275.352 2.299 20 5 CEBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168967326 811318346 /nfs/dbraw/zinc/31/83/46/811318346.db2.gz ONVFUVZXTJRSDP-XUWVNRHRSA-N 2 1 297.443 2.389 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001173215632 815623817 /nfs/dbraw/zinc/62/38/17/815623817.db2.gz XMPKZOCJSKLKQT-DZGCQCFKSA-N 2 1 291.395 2.457 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251915224 344638145 /nfs/dbraw/zinc/63/81/45/344638145.db2.gz YAQZHOSSXLACAI-DGCLKSJQSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251915224 344638147 /nfs/dbraw/zinc/63/81/47/344638147.db2.gz YAQZHOSSXLACAI-DGCLKSJQSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000592484936 345359416 /nfs/dbraw/zinc/35/94/16/345359416.db2.gz JQWWKUYEZRRVAL-NSHDSACASA-N 2 1 263.341 2.469 20 5 CEBDMP CC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489505 345359518 /nfs/dbraw/zinc/35/95/18/345359518.db2.gz YCWVBEORJPVNFC-STQMWFEESA-N 2 1 293.367 2.033 20 5 CEBDMP CC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489505 345359520 /nfs/dbraw/zinc/35/95/20/345359520.db2.gz YCWVBEORJPVNFC-STQMWFEESA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105480633 186059286 /nfs/dbraw/zinc/05/92/86/186059286.db2.gz MWVNKGJQDDBWAQ-RISCZKNCSA-N 2 1 263.341 2.025 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105480633 186059287 /nfs/dbraw/zinc/05/92/87/186059287.db2.gz MWVNKGJQDDBWAQ-RISCZKNCSA-N 2 1 263.341 2.025 20 5 CEBDMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000091847216 180270997 /nfs/dbraw/zinc/27/09/97/180270997.db2.gz ORHVIHWEHRANLG-UHFFFAOYSA-N 2 1 293.367 2.305 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070074625 363027127 /nfs/dbraw/zinc/02/71/27/363027127.db2.gz WFWVRLNJSVWLIS-TZMCWYRMSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070074625 363027131 /nfs/dbraw/zinc/02/71/31/363027131.db2.gz WFWVRLNJSVWLIS-TZMCWYRMSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655264 364908294 /nfs/dbraw/zinc/90/82/94/364908294.db2.gz DXDHHFXNYVHXDQ-WCQYABFASA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655264 364908300 /nfs/dbraw/zinc/90/83/00/364908300.db2.gz DXDHHFXNYVHXDQ-WCQYABFASA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000358374182 371037292 /nfs/dbraw/zinc/03/72/92/371037292.db2.gz YOFNZAGIOPXYER-IUODEOHRSA-N 2 1 277.368 2.067 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000383262919 375200405 /nfs/dbraw/zinc/20/04/05/375200405.db2.gz DIBFRKLONZJKEH-OKILXGFUSA-N 2 1 275.352 2.026 20 5 CEBDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423277198 377203295 /nfs/dbraw/zinc/20/32/95/377203295.db2.gz NWXCIPOWGAIPNS-KBPBESRZSA-N 2 1 263.341 2.373 20 5 CEBDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347168372 218143529 /nfs/dbraw/zinc/14/35/29/218143529.db2.gz MMHMNJBOVWCUMU-ZDUSSCGKSA-N 2 1 277.368 2.335 20 5 CEBDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347168372 218143531 /nfs/dbraw/zinc/14/35/31/218143531.db2.gz MMHMNJBOVWCUMU-ZDUSSCGKSA-N 2 1 277.368 2.335 20 5 CEBDMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414838772 394763672 /nfs/dbraw/zinc/76/36/72/394763672.db2.gz ZKDGBQKBZHMCSK-TZMCWYRMSA-N 2 1 277.368 2.115 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423368718 394903384 /nfs/dbraw/zinc/90/33/84/394903384.db2.gz FJODAWBATLIJSC-NTZNESFSSA-N 2 1 263.341 2.386 20 5 CEBDMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423464117 281048119 /nfs/dbraw/zinc/04/81/19/281048119.db2.gz LVRPLGIHUQNASH-BXUZGUMPSA-N 2 1 263.341 2.299 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352505265 295239761 /nfs/dbraw/zinc/23/97/61/295239761.db2.gz ZMYPKZFPHIJPPG-CYBMUJFWSA-N 2 1 293.367 2.177 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074729 525021342 /nfs/dbraw/zinc/02/13/42/525021342.db2.gz LNHOHGCIBFPUSG-NEPJUHHUSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074729 525021355 /nfs/dbraw/zinc/02/13/55/525021355.db2.gz LNHOHGCIBFPUSG-NEPJUHHUSA-N 2 1 263.341 2.154 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000070149633 641637244 /nfs/dbraw/zinc/63/72/44/641637244.db2.gz RUVZGGCHAKQMKT-CQSZACIVSA-N 2 1 277.368 2.341 20 5 CEBDMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968039 811320157 /nfs/dbraw/zinc/32/01/57/811320157.db2.gz VDPUOHFBYQREDD-KBPBESRZSA-N 2 1 271.405 2.143 20 5 CEBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998381 811327285 /nfs/dbraw/zinc/32/72/85/811327285.db2.gz LYZNDVPSZUHEMU-VGWMRTNUSA-N 2 1 295.427 2.414 20 5 CEBDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023864 811355602 /nfs/dbraw/zinc/35/56/02/811355602.db2.gz FYADYPLCCVQUJU-JKSUJKDBSA-N 2 1 297.443 2.484 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335616 346824785 /nfs/dbraw/zinc/82/47/85/346824785.db2.gz WKWFIAYNUHWBFZ-DZGCQCFKSA-N 2 1 275.352 2.169 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335616 346824788 /nfs/dbraw/zinc/82/47/88/346824788.db2.gz WKWFIAYNUHWBFZ-DZGCQCFKSA-N 2 1 275.352 2.169 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910136 344146675 /nfs/dbraw/zinc/14/66/75/344146675.db2.gz BFLRKIAVVVSVMA-DVOMOZLQSA-N 2 1 291.395 2.456 20 5 CEBDMP CC[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122772542 344307602 /nfs/dbraw/zinc/30/76/02/344307602.db2.gz DYQQGLZGSBZJTB-ZFWWWQNUSA-N 2 1 277.368 2.197 20 5 CEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000312936443 344741034 /nfs/dbraw/zinc/74/10/34/344741034.db2.gz FOQSQWNIESWERJ-ZFWWWQNUSA-N 2 1 275.352 2.156 20 5 CEBDMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000603435783 347370392 /nfs/dbraw/zinc/37/03/92/347370392.db2.gz ZFMYWULDRMUKQV-XDTLVQLUSA-N 2 1 263.341 2.371 20 5 CEBDMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074558 363027227 /nfs/dbraw/zinc/02/72/27/363027227.db2.gz STXNJAHNRFYBAJ-AAEUAGOBSA-N 2 1 293.367 2.163 20 5 CEBDMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074558 363027232 /nfs/dbraw/zinc/02/72/32/363027232.db2.gz STXNJAHNRFYBAJ-AAEUAGOBSA-N 2 1 293.367 2.163 20 5 CEBDMP C[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000156596001 188271119 /nfs/dbraw/zinc/27/11/19/188271119.db2.gz SNIMZCQIBKOJDW-GXTWGEPZSA-N 2 1 277.368 2.210 20 5 CEBDMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000221277497 370239991 /nfs/dbraw/zinc/23/99/91/370239991.db2.gz DOODWQUJKSLKBL-RYUDHWBXSA-N 2 1 263.341 2.197 20 5 CEBDMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000221277497 370239999 /nfs/dbraw/zinc/23/99/99/370239999.db2.gz DOODWQUJKSLKBL-RYUDHWBXSA-N 2 1 263.341 2.197 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674960 371466662 /nfs/dbraw/zinc/46/66/62/371466662.db2.gz WFIMYCJVXHNRDO-ZFWWWQNUSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674960 371466664 /nfs/dbraw/zinc/46/66/64/371466664.db2.gz WFIMYCJVXHNRDO-ZFWWWQNUSA-N 2 1 275.352 2.311 20 5 CEBDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423481610 394930088 /nfs/dbraw/zinc/93/00/88/394930088.db2.gz WZYPPHBKRMZWAG-PKFCDNJMSA-N 2 1 263.341 2.298 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567871623 395537641 /nfs/dbraw/zinc/53/76/41/395537641.db2.gz YWUPVBMBOVCBEC-OAHLLOKOSA-N 2 1 275.352 2.170 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567871623 395537643 /nfs/dbraw/zinc/53/76/43/395537643.db2.gz YWUPVBMBOVCBEC-OAHLLOKOSA-N 2 1 275.352 2.170 20 5 CEBDMP Cc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435445088 281390266 /nfs/dbraw/zinc/39/02/66/281390266.db2.gz CLWWDCXLEBCULD-AWEZNQCLSA-N 2 1 277.368 2.477 20 5 CEBDMP Cc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435445088 281390268 /nfs/dbraw/zinc/39/02/68/281390268.db2.gz CLWWDCXLEBCULD-AWEZNQCLSA-N 2 1 277.368 2.477 20 5 CEBDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000903497265 635157136 /nfs/dbraw/zinc/15/71/36/635157136.db2.gz RYYGHFBARJQPJC-DGCLKSJQSA-N 2 1 293.367 2.020 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964586 635399145 /nfs/dbraw/zinc/39/91/45/635399145.db2.gz QZSRKORIHDACMZ-MBNYWOFBSA-N 2 1 277.368 2.113 20 5 CEBDMP C[N@H+](CCC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843050162 640253596 /nfs/dbraw/zinc/25/35/96/640253596.db2.gz FLAUNRSXKOAIMF-UHFFFAOYSA-N 2 1 257.721 2.029 20 5 CEBDMP C[N@@H+](CCC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843050162 640253598 /nfs/dbraw/zinc/25/35/98/640253598.db2.gz FLAUNRSXKOAIMF-UHFFFAOYSA-N 2 1 257.721 2.029 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070170773 641640133 /nfs/dbraw/zinc/64/01/33/641640133.db2.gz GXVVVLGAWQUILT-NSHDSACASA-N 2 1 281.331 2.295 20 5 CEBDMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740940 650884307 /nfs/dbraw/zinc/88/43/07/650884307.db2.gz LIJYJDSKYQRYAQ-GOEBONIOSA-N 2 1 289.379 2.163 20 5 CEBDMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740940 650884312 /nfs/dbraw/zinc/88/43/12/650884312.db2.gz LIJYJDSKYQRYAQ-GOEBONIOSA-N 2 1 289.379 2.163 20 5 CEBDMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740940 650884316 /nfs/dbraw/zinc/88/43/16/650884316.db2.gz LIJYJDSKYQRYAQ-GOEBONIOSA-N 2 1 289.379 2.163 20 5 CEBDMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740940 650884318 /nfs/dbraw/zinc/88/43/18/650884318.db2.gz LIJYJDSKYQRYAQ-GOEBONIOSA-N 2 1 289.379 2.163 20 5 CEBDMP CC(C)[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168998050 811326566 /nfs/dbraw/zinc/32/65/66/811326566.db2.gz HQXLVSDJVFBQTN-ZQDZILKHSA-N 2 1 283.416 2.412 20 5 CEBDMP CC(C)[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169054307 811358843 /nfs/dbraw/zinc/35/88/43/811358843.db2.gz LLIVJFWEGPSBHL-ZFWWWQNUSA-N 2 1 283.416 2.236 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449086816 282094823 /nfs/dbraw/zinc/09/48/23/282094823.db2.gz CRVAHTNZTGLIKD-UONOGXRCSA-N 2 1 291.395 2.457 20 5 CEBDMP C[NH2+]CCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000124727773 365658981 /nfs/dbraw/zinc/65/89/81/365658981.db2.gz IGCAZGMWJWQYLG-LLVKDONJSA-N 2 1 251.330 2.197 20 5 CEBDMP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000124727773 365658983 /nfs/dbraw/zinc/65/89/83/365658983.db2.gz IGCAZGMWJWQYLG-LLVKDONJSA-N 2 1 251.330 2.197 20 5 CEBDMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000601969787 346946416 /nfs/dbraw/zinc/94/64/16/346946416.db2.gz FLMACCMIUDTMRR-CYBMUJFWSA-N 2 1 277.368 2.463 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591282850 345237172 /nfs/dbraw/zinc/23/71/72/345237172.db2.gz UQQLGSQKUVAJET-ZDUSSCGKSA-N 2 1 275.352 2.359 20 5 CEBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+]C1 ZINC000592477722 345358710 /nfs/dbraw/zinc/35/87/10/345358710.db2.gz JFKMHYOUGAQUMI-CQSZACIVSA-N 2 1 277.368 2.415 20 5 CEBDMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596108096 345941309 /nfs/dbraw/zinc/94/13/09/345941309.db2.gz UTFVDONKJWXKGX-NEPJUHHUSA-N 2 1 265.357 2.113 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070169380 363042174 /nfs/dbraw/zinc/04/21/74/363042174.db2.gz LILZFXYJYBQASJ-SNVBAGLBSA-N 2 1 269.370 2.217 20 5 CEBDMP CC[NH2+]CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000131495229 366058735 /nfs/dbraw/zinc/05/87/35/366058735.db2.gz GAKJFMAUGPVEFG-UHFFFAOYSA-N 2 1 283.397 2.478 20 5 CEBDMP C[N@@H+](CCCn1ccnc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000124257408 187128732 /nfs/dbraw/zinc/12/87/32/187128732.db2.gz KCJRHIUFWNKHIG-UHFFFAOYSA-N 2 1 292.314 2.453 20 5 CEBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842795 365182303 /nfs/dbraw/zinc/18/23/03/365182303.db2.gz ZBKXKUIMYFIYCM-HNNXBMFYSA-N 2 1 291.395 2.411 20 5 CEBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842795 365182315 /nfs/dbraw/zinc/18/23/15/365182315.db2.gz ZBKXKUIMYFIYCM-HNNXBMFYSA-N 2 1 291.395 2.411 20 5 CEBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842795 365182319 /nfs/dbraw/zinc/18/23/19/365182319.db2.gz ZBKXKUIMYFIYCM-HNNXBMFYSA-N 2 1 291.395 2.411 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346640311 368747028 /nfs/dbraw/zinc/74/70/28/368747028.db2.gz AYDMQZNIIDULLR-NEPJUHHUSA-N 2 1 263.341 2.072 20 5 CEBDMP CC[C@@H](C)[N@H+](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219720790 370226746 /nfs/dbraw/zinc/22/67/46/370226746.db2.gz FYCLKXCSJMMLLF-CYBMUJFWSA-N 2 1 279.384 2.457 20 5 CEBDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219720790 370226748 /nfs/dbraw/zinc/22/67/48/370226748.db2.gz FYCLKXCSJMMLLF-CYBMUJFWSA-N 2 1 279.384 2.457 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000229604358 370428530 /nfs/dbraw/zinc/42/85/30/370428530.db2.gz YYFGERHUHOWCTI-FZMZJTMJSA-N 2 1 277.368 2.333 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000229604358 370428533 /nfs/dbraw/zinc/42/85/33/370428533.db2.gz YYFGERHUHOWCTI-FZMZJTMJSA-N 2 1 277.368 2.333 20 5 CEBDMP O=[N+]([O-])c1ccccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668005 371464538 /nfs/dbraw/zinc/46/45/38/371464538.db2.gz QWQORTSNXLVUHI-KBPBESRZSA-N 2 1 275.352 2.311 20 5 CEBDMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093465644 394667392 /nfs/dbraw/zinc/66/73/92/394667392.db2.gz CGAVULCQWDLOAL-DGCLKSJQSA-N 2 1 263.341 2.215 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414840244 394764445 /nfs/dbraw/zinc/76/44/45/394764445.db2.gz YIJDEPOVIYUFPK-LBPRGKRZSA-N 2 1 293.367 2.083 20 5 CEBDMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000423341913 394892575 /nfs/dbraw/zinc/89/25/75/394892575.db2.gz YEUUQNWPJVQGPI-NSHDSACASA-N 2 1 263.341 2.435 20 5 CEBDMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423458803 394925680 /nfs/dbraw/zinc/92/56/80/394925680.db2.gz HLNLLVGIJMRULD-AAEUAGOBSA-N 2 1 251.330 2.373 20 5 CEBDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000268960851 270331033 /nfs/dbraw/zinc/33/10/33/270331033.db2.gz VSYNEYQWQJJVSJ-HIFRSBDPSA-N 2 1 291.395 2.457 20 5 CEBDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860499 276072663 /nfs/dbraw/zinc/07/26/63/276072663.db2.gz KDASBAQTFOPJJD-HNNXBMFYSA-N 2 1 291.395 2.411 20 5 CEBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860499 276072665 /nfs/dbraw/zinc/07/26/65/276072665.db2.gz KDASBAQTFOPJJD-HNNXBMFYSA-N 2 1 291.395 2.411 20 5 CEBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860499 276072667 /nfs/dbraw/zinc/07/26/67/276072667.db2.gz KDASBAQTFOPJJD-HNNXBMFYSA-N 2 1 291.395 2.411 20 5 CEBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860499 276072669 /nfs/dbraw/zinc/07/26/69/276072669.db2.gz KDASBAQTFOPJJD-HNNXBMFYSA-N 2 1 291.395 2.411 20 5 CEBDMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902430686 634652240 /nfs/dbraw/zinc/65/22/40/634652240.db2.gz QBUPBRDTKZRBHU-BXUZGUMPSA-N 2 1 277.368 2.428 20 5 CEBDMP C[C@H]1[C@@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000895736867 630326276 /nfs/dbraw/zinc/32/62/76/630326276.db2.gz LZDXKHSYPDHLSI-GWCFXTLKSA-N 2 1 286.335 2.069 20 5 CEBDMP C[C@H]1[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000895736867 630326279 /nfs/dbraw/zinc/32/62/79/630326279.db2.gz LZDXKHSYPDHLSI-GWCFXTLKSA-N 2 1 286.335 2.069 20 5 CEBDMP C[C@H]1[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000895736867 630326283 /nfs/dbraw/zinc/32/62/83/630326283.db2.gz LZDXKHSYPDHLSI-GWCFXTLKSA-N 2 1 286.335 2.069 20 5 CEBDMP O=[N+]([O-])CC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000905108119 635819194 /nfs/dbraw/zinc/81/91/94/635819194.db2.gz CTUCBYMVTNUFTM-UHFFFAOYSA-N 2 1 291.395 2.429 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903496582 635158102 /nfs/dbraw/zinc/15/81/02/635158102.db2.gz UDHNFYQQTULCOI-GHMZBOCLSA-N 2 1 281.331 2.151 20 5 CEBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057390 639635440 /nfs/dbraw/zinc/63/54/40/639635440.db2.gz KCULOBMTPOGUGX-LBPRGKRZSA-N 2 1 283.759 2.480 20 5 CEBDMP C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843355681 640401387 /nfs/dbraw/zinc/40/13/87/640401387.db2.gz TVEVOWPPXWDEIJ-UHFFFAOYSA-N 2 1 281.331 2.436 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000877482358 650742626 /nfs/dbraw/zinc/74/26/26/650742626.db2.gz FFFCMERCTOJYME-OKILXGFUSA-N 2 1 289.379 2.205 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000877482358 650742628 /nfs/dbraw/zinc/74/26/28/650742628.db2.gz FFFCMERCTOJYME-OKILXGFUSA-N 2 1 289.379 2.205 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000877482358 650742630 /nfs/dbraw/zinc/74/26/30/650742630.db2.gz FFFCMERCTOJYME-OKILXGFUSA-N 2 1 289.379 2.205 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000877482358 650742631 /nfs/dbraw/zinc/74/26/31/650742631.db2.gz FFFCMERCTOJYME-OKILXGFUSA-N 2 1 289.379 2.205 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000883441357 652471456 /nfs/dbraw/zinc/47/14/56/652471456.db2.gz MFFVGHKPHAYZTL-QWHCGFSZSA-N 2 1 263.341 2.119 20 5 CEBDMP C[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044536581 343474201 /nfs/dbraw/zinc/47/42/01/343474201.db2.gz KVQAIKLOPFFCDA-AWEZNQCLSA-N 2 1 277.368 2.069 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910135 344146387 /nfs/dbraw/zinc/14/63/87/344146387.db2.gz BFLRKIAVVVSVMA-XJKCOSOUSA-N 2 1 291.395 2.456 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251864056 344638112 /nfs/dbraw/zinc/63/81/12/344638112.db2.gz TVOITARIADJRMT-TZMCWYRMSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251864056 344638114 /nfs/dbraw/zinc/63/81/14/344638114.db2.gz TVOITARIADJRMT-TZMCWYRMSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427759 345352103 /nfs/dbraw/zinc/35/21/03/345352103.db2.gz ZDQUCQYUOMMTSC-KBPBESRZSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427759 345352106 /nfs/dbraw/zinc/35/21/06/345352106.db2.gz ZDQUCQYUOMMTSC-KBPBESRZSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489503 345359751 /nfs/dbraw/zinc/35/97/51/345359751.db2.gz YCWVBEORJPVNFC-OLZOCXBDSA-N 2 1 293.367 2.033 20 5 CEBDMP CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489503 345359752 /nfs/dbraw/zinc/35/97/52/345359752.db2.gz YCWVBEORJPVNFC-OLZOCXBDSA-N 2 1 293.367 2.033 20 5 CEBDMP Cc1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595295586 345757042 /nfs/dbraw/zinc/75/70/42/345757042.db2.gz MGSQZZLZPANZAJ-UHFFFAOYSA-N 2 1 296.371 2.055 20 5 CEBDMP Cc1ccc(NCC[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596425928 346020024 /nfs/dbraw/zinc/02/00/24/346020024.db2.gz YUVOJCQOXIGYJI-UHFFFAOYSA-N 2 1 294.399 2.199 20 5 CEBDMP Cc1ccc(NCC[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596425928 346020028 /nfs/dbraw/zinc/02/00/28/346020028.db2.gz YUVOJCQOXIGYJI-UHFFFAOYSA-N 2 1 294.399 2.199 20 5 CEBDMP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601108551 346754660 /nfs/dbraw/zinc/75/46/60/346754660.db2.gz IVCWJLRBHJVVLJ-LLVKDONJSA-N 2 1 288.351 2.317 20 5 CEBDMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074557 363027029 /nfs/dbraw/zinc/02/70/29/363027029.db2.gz STXNJAHNRFYBAJ-DGCLKSJQSA-N 2 1 293.367 2.163 20 5 CEBDMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074557 363027034 /nfs/dbraw/zinc/02/70/34/363027034.db2.gz STXNJAHNRFYBAJ-DGCLKSJQSA-N 2 1 293.367 2.163 20 5 CEBDMP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000156595872 188271343 /nfs/dbraw/zinc/27/13/43/188271343.db2.gz SNIMZCQIBKOJDW-TZMCWYRMSA-N 2 1 277.368 2.210 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000094342164 364269313 /nfs/dbraw/zinc/26/93/13/364269313.db2.gz MMTUDTPZFVVSHV-MFKMUULPSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000094342164 364269320 /nfs/dbraw/zinc/26/93/20/364269320.db2.gz MMTUDTPZFVVSHV-MFKMUULPSA-N 2 1 263.341 2.072 20 5 CEBDMP CCC([NH3+])(CC)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414799271 375983219 /nfs/dbraw/zinc/98/32/19/375983219.db2.gz GMDBVUWTUMOHEN-UHFFFAOYSA-N 2 1 251.330 2.202 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000442922497 378018892 /nfs/dbraw/zinc/01/88/92/378018892.db2.gz ONEZBCJITBTGTA-ZDUSSCGKSA-N 2 1 277.368 2.464 20 5 CEBDMP CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000423008587 394878715 /nfs/dbraw/zinc/87/87/15/394878715.db2.gz AMFMMDLDCDRQRK-CABCVRRESA-N 2 1 277.368 2.258 20 5 CEBDMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423384395 394908060 /nfs/dbraw/zinc/90/80/60/394908060.db2.gz QAHKNPVJAGSHJP-WZRBSPASSA-N 2 1 263.341 2.386 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423391705 394911146 /nfs/dbraw/zinc/91/11/46/394911146.db2.gz KYQGQSJOZUEGPX-SUNKGSAMSA-N 2 1 263.341 2.243 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527721 175192919 /nfs/dbraw/zinc/19/29/19/175192919.db2.gz AKJHOQJTLMCUTG-VXGBXAGGSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527721 175192921 /nfs/dbraw/zinc/19/29/21/175192921.db2.gz AKJHOQJTLMCUTG-VXGBXAGGSA-N 2 1 263.341 2.327 20 5 CEBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414775739 263044343 /nfs/dbraw/zinc/04/43/43/263044343.db2.gz GORMWGFEZPBLRO-CHWSQXEVSA-N 2 1 295.408 2.478 20 5 CEBDMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049557787 524074281 /nfs/dbraw/zinc/07/42/81/524074281.db2.gz QLFXGLDIPRVGLM-NSHDSACASA-N 2 1 281.356 2.033 20 5 CEBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158031573 527399338 /nfs/dbraw/zinc/39/93/38/527399338.db2.gz SBHCKQGOAICTBF-HUUCEWRRSA-N 2 1 289.379 2.354 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925732937 628687248 /nfs/dbraw/zinc/68/72/48/628687248.db2.gz HGKLVLHFYLOSEL-ZIAGYGMSSA-N 2 1 275.352 2.263 20 5 CEBDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925779469 628804356 /nfs/dbraw/zinc/80/43/56/628804356.db2.gz ODEDBVSHLTXSPL-CMPLNLGQSA-N 2 1 299.321 2.490 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000841030752 639622628 /nfs/dbraw/zinc/62/26/28/639622628.db2.gz UUJHLWLIFWFHLD-UHFFFAOYSA-N 2 1 269.732 2.090 20 5 CEBDMP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000866660406 647859269 /nfs/dbraw/zinc/85/92/69/647859269.db2.gz FDYLOTZTEMZVIH-CQSZACIVSA-N 2 1 263.341 2.120 20 5 CEBDMP CC(C)[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168998047 811327448 /nfs/dbraw/zinc/32/74/48/811327448.db2.gz HQXLVSDJVFBQTN-AJNGGQMLSA-N 2 1 283.416 2.412 20 5 CEBDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169023863 811354142 /nfs/dbraw/zinc/35/41/42/811354142.db2.gz FYADYPLCCVQUJU-HZPDHXFCSA-N 2 1 297.443 2.484 20 5 CEBDMP CCC1([NH3+])CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000714758380 814914486 /nfs/dbraw/zinc/91/44/86/814914486.db2.gz FUWPDBAXBSSPLX-UHFFFAOYSA-N 2 1 263.341 2.298 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001173222627 815627638 /nfs/dbraw/zinc/62/76/38/815627638.db2.gz YBZQRUCUGVAFKM-NWDGAFQWSA-N 2 1 265.357 2.052 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335643 346824821 /nfs/dbraw/zinc/82/48/21/346824821.db2.gz WQPYXUPFOHPUGT-GDBMZVCRSA-N 2 1 289.379 2.211 20 5 CEBDMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000404762980 344881927 /nfs/dbraw/zinc/88/19/27/344881927.db2.gz KCQNXYIJSMWXDN-BIMULSAOSA-N 2 1 263.341 2.371 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868264 186144714 /nfs/dbraw/zinc/14/47/14/186144714.db2.gz NZBPTKGHGVTEDE-ZIAGYGMSSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868264 186144716 /nfs/dbraw/zinc/14/47/16/186144716.db2.gz NZBPTKGHGVTEDE-ZIAGYGMSSA-N 2 1 275.352 2.311 20 5 CEBDMP C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000093861301 364234519 /nfs/dbraw/zinc/23/45/19/364234519.db2.gz BCDQUMCCWCGHCZ-UHFFFAOYSA-N 2 1 251.330 2.012 20 5 CEBDMP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C[NH3+] ZINC000093861301 364234528 /nfs/dbraw/zinc/23/45/28/364234528.db2.gz BCDQUMCCWCGHCZ-UHFFFAOYSA-N 2 1 251.330 2.012 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655270 364908038 /nfs/dbraw/zinc/90/80/38/364908038.db2.gz DXDHHFXNYVHXDQ-AAEUAGOBSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655270 364908043 /nfs/dbraw/zinc/90/80/43/364908043.db2.gz DXDHHFXNYVHXDQ-AAEUAGOBSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163467113 367242335 /nfs/dbraw/zinc/24/23/35/367242335.db2.gz BRCUIGSYZHAOPC-AAEUAGOBSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163467113 367242338 /nfs/dbraw/zinc/24/23/38/367242338.db2.gz BRCUIGSYZHAOPC-AAEUAGOBSA-N 2 1 263.341 2.012 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000230048772 370437596 /nfs/dbraw/zinc/43/75/96/370437596.db2.gz VHYNRWHPSVDZID-CWRNSKLLSA-N 2 1 289.379 2.197 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000261743269 371717333 /nfs/dbraw/zinc/71/73/33/371717333.db2.gz SIBBNBMQVSJIGB-WDBKCZKBSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000261743269 371717343 /nfs/dbraw/zinc/71/73/43/371717343.db2.gz SIBBNBMQVSJIGB-WDBKCZKBSA-N 2 1 293.342 2.293 20 5 CEBDMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423313388 377242997 /nfs/dbraw/zinc/24/29/97/377242997.db2.gz FRKSBWZTQIVNES-KBPBESRZSA-N 2 1 263.341 2.373 20 5 CEBDMP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423332335 377263062 /nfs/dbraw/zinc/26/30/62/377263062.db2.gz UZGFHGAFLVDUJQ-LSDHHAIUSA-N 2 1 275.352 2.299 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000443057450 378030325 /nfs/dbraw/zinc/03/03/25/378030325.db2.gz GQDUGCIDWUJWKQ-CYBMUJFWSA-N 2 1 293.367 2.034 20 5 CEBDMP C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000346993800 218083656 /nfs/dbraw/zinc/08/36/56/218083656.db2.gz AVCRZMQZIHLGLR-HRLNJXSSSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000346993800 218083659 /nfs/dbraw/zinc/08/36/59/218083659.db2.gz AVCRZMQZIHLGLR-HRLNJXSSSA-N 2 1 275.352 2.277 20 5 CEBDMP C[N@H+]1CC=C(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350284555 219004631 /nfs/dbraw/zinc/00/46/31/219004631.db2.gz BQJBQMAPWJYCKX-UHFFFAOYSA-N 2 1 279.315 2.085 20 5 CEBDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350284555 219004632 /nfs/dbraw/zinc/00/46/32/219004632.db2.gz BQJBQMAPWJYCKX-UHFFFAOYSA-N 2 1 279.315 2.085 20 5 CEBDMP C[C@H]1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000414708551 394749172 /nfs/dbraw/zinc/74/91/72/394749172.db2.gz ZZZUHPMSYHBFAC-QWHCGFSZSA-N 2 1 289.379 2.341 20 5 CEBDMP C[C@@]1(C[NH3+])CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000566230416 395506831 /nfs/dbraw/zinc/50/68/31/395506831.db2.gz QEUGUAHZNRDFNM-VOKGJARPSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@@]1(C[NH3+])CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000566230416 395506833 /nfs/dbraw/zinc/50/68/33/395506833.db2.gz QEUGUAHZNRDFNM-VOKGJARPSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251774389 287144777 /nfs/dbraw/zinc/14/47/77/287144777.db2.gz MOHCUTQHTGMYKD-UHIISALHSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251774389 287144781 /nfs/dbraw/zinc/14/47/81/287144781.db2.gz MOHCUTQHTGMYKD-UHIISALHSA-N 2 1 263.341 2.325 20 5 CEBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746593 174392115 /nfs/dbraw/zinc/39/21/15/174392115.db2.gz DMABFVXCXVNJSN-NNQSOWQGSA-N 2 1 275.352 2.310 20 5 CEBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746593 174392116 /nfs/dbraw/zinc/39/21/16/174392116.db2.gz DMABFVXCXVNJSN-NNQSOWQGSA-N 2 1 275.352 2.310 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000430560045 271390160 /nfs/dbraw/zinc/39/01/60/271390160.db2.gz YNMMVSVYBCSNEB-OAHLLOKOSA-N 2 1 295.383 2.279 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430584860 271395170 /nfs/dbraw/zinc/39/51/70/271395170.db2.gz PKYDFKZYRFHZAM-STQMWFEESA-N 2 1 293.367 2.033 20 5 CEBDMP Cc1c(C[NH2+][C@@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430598767 271398516 /nfs/dbraw/zinc/39/85/16/271398516.db2.gz PBHFLXNIVJVAOG-AWEZNQCLSA-N 2 1 265.357 2.366 20 5 CEBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCn1ccnc1)C2 ZINC000539482579 298248563 /nfs/dbraw/zinc/24/85/63/298248563.db2.gz RAGIGGITWHGETD-UHFFFAOYSA-N 2 1 286.335 2.240 20 5 CEBDMP O=[N+]([O-])c1cccc2c1CCN(CCCn1ccnc1)C2 ZINC000539482579 298248565 /nfs/dbraw/zinc/24/85/65/298248565.db2.gz RAGIGGITWHGETD-UHFFFAOYSA-N 2 1 286.335 2.240 20 5 CEBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925516710 628061461 /nfs/dbraw/zinc/06/14/61/628061461.db2.gz XOVMHECARCNBTF-OAHLLOKOSA-N 2 1 289.379 2.402 20 5 CEBDMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817938982 633788931 /nfs/dbraw/zinc/78/89/31/633788931.db2.gz WTIBSQFWDCYZBV-LLVKDONJSA-N 2 1 292.383 2.489 20 5 CEBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903883123 635325954 /nfs/dbraw/zinc/32/59/54/635325954.db2.gz SSDZGLMOPZACNI-CYBMUJFWSA-N 2 1 289.379 2.343 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C[NH3+] ZINC000923497951 643739843 /nfs/dbraw/zinc/73/98/43/643739843.db2.gz NNBBHNLSYZUMTC-GHMZBOCLSA-N 2 1 281.331 2.151 20 5 CEBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168967324 811318850 /nfs/dbraw/zinc/31/88/50/811318850.db2.gz ONVFUVZXTJRSDP-QKPAOTATSA-N 2 1 297.443 2.389 20 5 CEBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001168992967 811325038 /nfs/dbraw/zinc/32/50/38/811325038.db2.gz LWMVXAOZTQAXNX-RBSFLKMASA-N 2 1 295.427 2.428 20 5 CEBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001168992967 811325049 /nfs/dbraw/zinc/32/50/49/811325049.db2.gz LWMVXAOZTQAXNX-RBSFLKMASA-N 2 1 295.427 2.428 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449086817 282094930 /nfs/dbraw/zinc/09/49/30/282094930.db2.gz CRVAHTNZTGLIKD-ZIAGYGMSSA-N 2 1 291.395 2.457 20 5 CEBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000337950839 214327315 /nfs/dbraw/zinc/32/73/15/214327315.db2.gz OODFSIZKMAVIOC-UHFFFAOYSA-N 2 1 292.314 2.419 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122352339 344305789 /nfs/dbraw/zinc/30/57/89/344305789.db2.gz ALJYCOQBKZHWMV-OCCSQVGLSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000122352339 344305793 /nfs/dbraw/zinc/30/57/93/344305793.db2.gz ALJYCOQBKZHWMV-OCCSQVGLSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)[NH3+] ZINC000591581567 345266941 /nfs/dbraw/zinc/26/69/41/345266941.db2.gz ZKUHXKQDPOVBRT-MNOVXSKESA-N 2 1 283.397 2.402 20 5 CEBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+]C1 ZINC000592477721 345358753 /nfs/dbraw/zinc/35/87/53/345358753.db2.gz JFKMHYOUGAQUMI-AWEZNQCLSA-N 2 1 277.368 2.415 20 5 CEBDMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596108099 345941409 /nfs/dbraw/zinc/94/14/09/345941409.db2.gz UTFVDONKJWXKGX-RYUDHWBXSA-N 2 1 265.357 2.113 20 5 CEBDMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000600709629 346675244 /nfs/dbraw/zinc/67/52/44/346675244.db2.gz OQRBIOGJGZDTOR-LBPRGKRZSA-N 2 1 293.367 2.062 20 5 CEBDMP C[N@H+]1CCC[C@@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602687987 347147545 /nfs/dbraw/zinc/14/75/45/347147545.db2.gz TYTUHRRIDBPEEP-HNNXBMFYSA-N 2 1 291.395 2.459 20 5 CEBDMP C[N@H+]1CCC[C@H](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602687988 347147568 /nfs/dbraw/zinc/14/75/68/347147568.db2.gz TYTUHRRIDBPEEP-OAHLLOKOSA-N 2 1 291.395 2.459 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868269 186144607 /nfs/dbraw/zinc/14/46/07/186144607.db2.gz WFIMYCJVXHNRDO-DZGCQCFKSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868269 186144609 /nfs/dbraw/zinc/14/46/09/186144609.db2.gz WFIMYCJVXHNRDO-DZGCQCFKSA-N 2 1 275.352 2.311 20 5 CEBDMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000070170789 363044115 /nfs/dbraw/zinc/04/41/15/363044115.db2.gz ORVOHGGAYSLVQY-LBPRGKRZSA-N 2 1 293.367 2.164 20 5 CEBDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000123695190 187104943 /nfs/dbraw/zinc/10/49/43/187104943.db2.gz ODXBOILVDCZMMY-AWEZNQCLSA-N 2 1 265.357 2.400 20 5 CEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000123695190 187104944 /nfs/dbraw/zinc/10/49/44/187104944.db2.gz ODXBOILVDCZMMY-AWEZNQCLSA-N 2 1 265.357 2.400 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570344269 299254865 /nfs/dbraw/zinc/25/48/65/299254865.db2.gz QXLPDDKTNDCEKE-AWEZNQCLSA-N 2 1 286.335 2.377 20 5 CEBDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091891 361578285 /nfs/dbraw/zinc/57/82/85/361578285.db2.gz RSDKVUUPOHQHDF-LLVKDONJSA-N 2 1 251.330 2.197 20 5 CEBDMP C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163436577 367240508 /nfs/dbraw/zinc/24/05/08/367240508.db2.gz KOAYSSVQIBDGEN-AAEUAGOBSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163436577 367240511 /nfs/dbraw/zinc/24/05/11/367240511.db2.gz KOAYSSVQIBDGEN-AAEUAGOBSA-N 2 1 263.341 2.012 20 5 CEBDMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347034378 218098343 /nfs/dbraw/zinc/09/83/43/218098343.db2.gz FYAWLNDFZLUYPY-CYBMUJFWSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347034378 218098344 /nfs/dbraw/zinc/09/83/44/218098344.db2.gz FYAWLNDFZLUYPY-CYBMUJFWSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347035379 218100092 /nfs/dbraw/zinc/10/00/92/218100092.db2.gz GOLUCJGHBCRMBE-FZMZJTMJSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347035379 218100094 /nfs/dbraw/zinc/10/00/94/218100094.db2.gz GOLUCJGHBCRMBE-FZMZJTMJSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347213296 218157282 /nfs/dbraw/zinc/15/72/82/218157282.db2.gz PLOSFWRDVJISJA-OCCSQVGLSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266860671 190285259 /nfs/dbraw/zinc/28/52/59/190285259.db2.gz LBLVIVVTICVRDS-LLVKDONJSA-N 2 1 274.324 2.451 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252762362 394574159 /nfs/dbraw/zinc/57/41/59/394574159.db2.gz HCUNGKVHOLQLPQ-QJPTWQEYSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252762364 394574226 /nfs/dbraw/zinc/57/42/26/394574226.db2.gz HCUNGKVHOLQLPQ-TUAOUCFPSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000414904139 394797445 /nfs/dbraw/zinc/79/74/45/394797445.db2.gz MVWPUJBUBSUGOD-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414943969 394815421 /nfs/dbraw/zinc/81/54/21/394815421.db2.gz FZXLZELWRMJHJO-YPMHNXCESA-N 2 1 263.341 2.133 20 5 CEBDMP Cc1c(C[NH2+][C@@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000430557849 271390437 /nfs/dbraw/zinc/39/04/37/271390437.db2.gz UAOIAISBXJJHNT-AWEZNQCLSA-N 2 1 263.341 2.120 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000430564918 271390869 /nfs/dbraw/zinc/39/08/69/271390869.db2.gz DIIUFOIWPGAAHX-OAHLLOKOSA-N 2 1 295.383 2.279 20 5 CEBDMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000158253645 289230199 /nfs/dbraw/zinc/23/01/99/289230199.db2.gz MZBLVEYWPKEVLY-OLZOCXBDSA-N 2 1 293.367 2.046 20 5 CEBDMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000158253645 289230201 /nfs/dbraw/zinc/23/02/01/289230201.db2.gz MZBLVEYWPKEVLY-OLZOCXBDSA-N 2 1 293.367 2.046 20 5 CEBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000459722510 290217582 /nfs/dbraw/zinc/21/75/82/290217582.db2.gz BPARGOXOVNNMQD-ZDUSSCGKSA-N 2 1 277.368 2.416 20 5 CEBDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981233 633824825 /nfs/dbraw/zinc/82/48/25/633824825.db2.gz HSALWHQADPTNMD-IINYFYTJSA-N 2 1 292.383 2.345 20 5 CEBDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841064132 639639329 /nfs/dbraw/zinc/63/93/29/639639329.db2.gz YXVVRUGMVGHCHM-MWLCHTKSSA-N 2 1 283.759 2.478 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923503422 643739483 /nfs/dbraw/zinc/73/94/83/643739483.db2.gz IBMKVEPBGSLQEB-RYUDHWBXSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C)CC1 ZINC000866218204 647677153 /nfs/dbraw/zinc/67/71/53/647677153.db2.gz LWRUVOJZGOUZOX-NSHDSACASA-N 2 1 295.358 2.349 20 5 CEBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990333 811339013 /nfs/dbraw/zinc/33/90/13/811339013.db2.gz BRQATMQRGROHOX-MCIONIFRSA-N 2 1 283.416 2.284 20 5 CEBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168990333 811339020 /nfs/dbraw/zinc/33/90/20/811339020.db2.gz BRQATMQRGROHOX-MCIONIFRSA-N 2 1 283.416 2.284 20 5 CEBDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901483 815539741 /nfs/dbraw/zinc/53/97/41/815539741.db2.gz IPEJDLMBCQBZCJ-SWLSCSKDSA-N 2 1 291.395 2.369 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC[NH+](C)C ZINC001173230013 815630569 /nfs/dbraw/zinc/63/05/69/815630569.db2.gz WZWZJIOHHDOEHL-ZDUSSCGKSA-N 2 1 279.384 2.409 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000122880327 344308089 /nfs/dbraw/zinc/30/80/89/344308089.db2.gz NLRHZXCQZIMZHY-JSGCOSHPSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000122880327 344308090 /nfs/dbraw/zinc/30/80/90/344308090.db2.gz NLRHZXCQZIMZHY-JSGCOSHPSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667124 347132451 /nfs/dbraw/zinc/13/24/51/347132451.db2.gz NTKUDPPGPWINCH-BBRMVZONSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667124 347132452 /nfs/dbraw/zinc/13/24/52/347132452.db2.gz NTKUDPPGPWINCH-BBRMVZONSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667124 347132453 /nfs/dbraw/zinc/13/24/53/347132453.db2.gz NTKUDPPGPWINCH-BBRMVZONSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667124 347132454 /nfs/dbraw/zinc/13/24/54/347132454.db2.gz NTKUDPPGPWINCH-BBRMVZONSA-N 2 1 291.395 2.409 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832891 365898740 /nfs/dbraw/zinc/89/87/40/365898740.db2.gz GCJSRQSNSTYVNX-LLVKDONJSA-N 2 1 274.324 2.451 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000611515358 347789181 /nfs/dbraw/zinc/78/91/81/347789181.db2.gz PPJZNDMWDXBPDT-AVGNSLFASA-N 2 1 275.352 2.115 20 5 CEBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091844727 180269195 /nfs/dbraw/zinc/26/91/95/180269195.db2.gz GFTHZTBBSUNBLN-UHFFFAOYSA-N 2 1 263.341 2.297 20 5 CEBDMP C[N@@H+]1CC=C(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271854782 191370010 /nfs/dbraw/zinc/37/00/10/191370010.db2.gz HXATYBDQHOAIKN-GQCTYLIASA-N 2 1 287.363 2.460 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000078492870 363550917 /nfs/dbraw/zinc/55/09/17/363550917.db2.gz MKPZCGFCHBSEPI-ZDUSSCGKSA-N 2 1 263.341 2.298 20 5 CEBDMP C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163436487 367238996 /nfs/dbraw/zinc/23/89/96/367238996.db2.gz KOAYSSVQIBDGEN-YPMHNXCESA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163436487 367239001 /nfs/dbraw/zinc/23/90/01/367239001.db2.gz KOAYSSVQIBDGEN-YPMHNXCESA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CC1 ZINC000414805663 375991848 /nfs/dbraw/zinc/99/18/48/375991848.db2.gz MDOQCMNHCYDOQJ-BXUZGUMPSA-N 2 1 277.368 2.243 20 5 CEBDMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000414812264 375998391 /nfs/dbraw/zinc/99/83/91/375998391.db2.gz KPTRYVSJFCCBIW-PBWFPOADSA-N 2 1 275.352 2.276 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420387398 376685821 /nfs/dbraw/zinc/68/58/21/376685821.db2.gz WBWDBLDCKZCQJO-INIZCTEOSA-N 2 1 289.379 2.213 20 5 CEBDMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583715 377640872 /nfs/dbraw/zinc/64/08/72/377640872.db2.gz FAFJOJPRGDMFLU-MNOVXSKESA-N 2 1 280.372 2.168 20 5 CEBDMP C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293872207 377798733 /nfs/dbraw/zinc/79/87/33/377798733.db2.gz YGWURPHETMENFV-RYUDHWBXSA-N 2 1 265.357 2.443 20 5 CEBDMP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000414857142 394773439 /nfs/dbraw/zinc/77/34/39/394773439.db2.gz OYSIIWBXFSBAQP-MNOVXSKESA-N 2 1 281.331 2.212 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415071936 394874447 /nfs/dbraw/zinc/87/44/47/394874447.db2.gz UVGWCBHWGDOLBA-UHFFFAOYSA-N 2 1 263.341 2.135 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430588071 271396651 /nfs/dbraw/zinc/39/66/51/271396651.db2.gz BUHOAUKGTOAOAH-OLZOCXBDSA-N 2 1 293.367 2.033 20 5 CEBDMP Cc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422916928 280963705 /nfs/dbraw/zinc/96/37/05/280963705.db2.gz BXTBTJQPPBSYHH-WDEREUQCSA-N 2 1 263.341 2.162 20 5 CEBDMP CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000584226078 327068423 /nfs/dbraw/zinc/06/84/23/327068423.db2.gz JWWQAVXTQBUGOB-GJZGRUSLSA-N 2 1 293.367 2.094 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020129166 329087018 /nfs/dbraw/zinc/08/70/18/329087018.db2.gz RIWCLECAIAWLKU-UHFFFAOYSA-N 2 1 263.341 2.170 20 5 CEBDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925779471 628804131 /nfs/dbraw/zinc/80/41/31/628804131.db2.gz ODEDBVSHLTXSPL-JQWIXIFHSA-N 2 1 299.321 2.490 20 5 CEBDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906879 633765819 /nfs/dbraw/zinc/76/58/19/633765819.db2.gz FZDCYHRFDOQCQY-IUCAKERBSA-N 2 1 271.748 2.464 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000923499935 643740846 /nfs/dbraw/zinc/74/08/46/643740846.db2.gz OREPHOJCEYPVTJ-DGCLKSJQSA-N 2 1 277.368 2.320 20 5 CEBDMP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923498218 643741260 /nfs/dbraw/zinc/74/12/60/643741260.db2.gz KCGLNNKKNKXGNB-TZMCWYRMSA-N 2 1 277.368 2.054 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923501904 643742154 /nfs/dbraw/zinc/74/21/54/643742154.db2.gz WUHAPOLVXXIPME-WDEREUQCSA-N 2 1 281.331 2.151 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000873126778 649564663 /nfs/dbraw/zinc/56/46/63/649564663.db2.gz COIMWYKVMJGZBO-LLVKDONJSA-N 2 1 279.384 2.499 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC000723892623 802965983 /nfs/dbraw/zinc/96/59/83/802965983.db2.gz SNAYPDITIZBBNL-DGCLKSJQSA-N 2 1 263.341 2.012 20 5 CEBDMP CC(C)[NH+](CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)C ZINC001168956534 811313072 /nfs/dbraw/zinc/31/30/72/811313072.db2.gz BMRUXEXKDFWRRM-KBPBESRZSA-N 2 1 271.405 2.140 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123212747 365636275 /nfs/dbraw/zinc/63/62/75/365636275.db2.gz BIAXQQPDYKAJDW-WFASDCNBSA-N 2 1 277.368 2.067 20 5 CEBDMP [NH3+]CCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593737120 345530376 /nfs/dbraw/zinc/53/03/76/345530376.db2.gz NIYOQRNGTCMMSO-UHFFFAOYSA-N 2 1 281.331 2.295 20 5 CEBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000596423827 346020125 /nfs/dbraw/zinc/02/01/25/346020125.db2.gz CWKUNLRBHMNICM-UHFFFAOYSA-N 2 1 298.362 2.029 20 5 CEBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000596423827 346020128 /nfs/dbraw/zinc/02/01/28/346020128.db2.gz CWKUNLRBHMNICM-UHFFFAOYSA-N 2 1 298.362 2.029 20 5 CEBDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600713110 346675819 /nfs/dbraw/zinc/67/58/19/346675819.db2.gz DZSOUMQJTHXQIS-NILFDRSVSA-N 2 1 289.379 2.256 20 5 CEBDMP C[NH+]1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601100578 346752797 /nfs/dbraw/zinc/75/27/97/346752797.db2.gz NVSAKEHVMSHUDR-UHFFFAOYSA-N 2 1 286.335 2.071 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245926476 370888773 /nfs/dbraw/zinc/88/87/73/370888773.db2.gz IRHPJKVCTTXPEY-ZBFHGGJFSA-N 2 1 289.379 2.354 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681206 368767626 /nfs/dbraw/zinc/76/76/26/368767626.db2.gz OOZIJMBPJGEXBO-YPMHNXCESA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681206 368767627 /nfs/dbraw/zinc/76/76/27/368767627.db2.gz OOZIJMBPJGEXBO-YPMHNXCESA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1[N+](=O)[O-] ZINC000276514882 193364577 /nfs/dbraw/zinc/36/45/77/193364577.db2.gz BHVSESOASJGIMV-NSHDSACASA-N 2 1 274.324 2.222 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261575326 371657153 /nfs/dbraw/zinc/65/71/53/371657153.db2.gz BLURZDQVJOZHID-FZMZJTMJSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261575326 371657158 /nfs/dbraw/zinc/65/71/58/371657158.db2.gz BLURZDQVJOZHID-FZMZJTMJSA-N 2 1 263.341 2.327 20 5 CEBDMP CC(C)[C@@H]([NH3+])C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414795135 375978682 /nfs/dbraw/zinc/97/86/82/375978682.db2.gz MQLIFDHMICEBNZ-VGVVRCBHSA-N 2 1 263.341 2.181 20 5 CEBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423259206 377179573 /nfs/dbraw/zinc/17/95/73/377179573.db2.gz DGBQQJQCUWKQBD-JSGCOSHPSA-N 2 1 279.384 2.489 20 5 CEBDMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293735153 377730026 /nfs/dbraw/zinc/73/00/26/377730026.db2.gz NDKAQDLKNUHHSV-LBPRGKRZSA-N 2 1 292.383 2.314 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000414885573 394787567 /nfs/dbraw/zinc/78/75/67/394787567.db2.gz PGMDGDXECKLAAB-QEJZJMRPSA-N 2 1 289.379 2.258 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567871622 395537769 /nfs/dbraw/zinc/53/77/69/395537769.db2.gz YWUPVBMBOVCBEC-HNNXBMFYSA-N 2 1 275.352 2.170 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567871622 395537771 /nfs/dbraw/zinc/53/77/71/395537771.db2.gz YWUPVBMBOVCBEC-HNNXBMFYSA-N 2 1 275.352 2.170 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397227192 270352082 /nfs/dbraw/zinc/35/20/82/270352082.db2.gz CPEKQQRLNHPHMG-BZPMIXESSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397227192 270352085 /nfs/dbraw/zinc/35/20/85/270352085.db2.gz CPEKQQRLNHPHMG-BZPMIXESSA-N 2 1 277.368 2.400 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424365090 271051411 /nfs/dbraw/zinc/05/14/11/271051411.db2.gz GGUNTMGIXWGBBC-ZIAGYGMSSA-N 2 1 263.341 2.263 20 5 CEBDMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000564822602 313777596 /nfs/dbraw/zinc/77/75/96/313777596.db2.gz STBNNAPGDWMEBS-LLVKDONJSA-N 2 1 251.330 2.245 20 5 CEBDMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000818616631 633960486 /nfs/dbraw/zinc/96/04/86/633960486.db2.gz YYGUBLDDVFZAJJ-IRUJWGPZSA-N 2 1 278.356 2.098 20 5 CEBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000903883786 635326342 /nfs/dbraw/zinc/32/63/42/635326342.db2.gz ZEHUCEPBDCCBTC-UHFFFAOYSA-N 2 1 289.379 2.343 20 5 CEBDMP CC(C)c1ccc(C[NH2+]C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000906509213 636760547 /nfs/dbraw/zinc/76/05/47/636760547.db2.gz ARCUNGBMVDGJPA-UHFFFAOYSA-N 2 1 263.341 2.298 20 5 CEBDMP CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]CC1 ZINC000841065421 639640400 /nfs/dbraw/zinc/64/04/00/639640400.db2.gz OYFYXYOJFAEGDG-UHFFFAOYSA-N 2 1 283.759 2.480 20 5 CEBDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843130017 640296628 /nfs/dbraw/zinc/29/66/28/640296628.db2.gz WQHBLSMRAMEWOA-BDAKNGLRSA-N 2 1 271.748 2.464 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923510863 643745999 /nfs/dbraw/zinc/74/59/99/643745999.db2.gz XRZPBLGNWIMVCY-DGCLKSJQSA-N 2 1 263.341 2.012 20 5 CEBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000723682776 802924423 /nfs/dbraw/zinc/92/44/23/802924423.db2.gz JWLAAAWMSXGDCQ-JTQLQIEISA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001173213814 815636577 /nfs/dbraw/zinc/63/65/77/815636577.db2.gz KRXJVRQMWWQBPQ-OCCSQVGLSA-N 2 1 277.368 2.067 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449108960 282102987 /nfs/dbraw/zinc/10/29/87/282102987.db2.gz UNHAKUNJWOBEAT-GFCCVEGCSA-N 2 1 288.351 2.321 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCC[N@H+]1C ZINC000599014705 346446424 /nfs/dbraw/zinc/44/64/24/346446424.db2.gz USNOXUNRZMOOLW-AWEZNQCLSA-N 2 1 263.341 2.087 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCC[N@@H+]1C ZINC000599014705 346446428 /nfs/dbraw/zinc/44/64/28/346446428.db2.gz USNOXUNRZMOOLW-AWEZNQCLSA-N 2 1 263.341 2.087 20 5 CEBDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134445425 366324365 /nfs/dbraw/zinc/32/43/65/366324365.db2.gz VWNLPHAPNLNJAQ-AAEUAGOBSA-N 2 1 293.367 2.033 20 5 CEBDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000134445425 366324371 /nfs/dbraw/zinc/32/43/71/366324371.db2.gz VWNLPHAPNLNJAQ-AAEUAGOBSA-N 2 1 293.367 2.033 20 5 CEBDMP C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000104086550 364675351 /nfs/dbraw/zinc/67/53/51/364675351.db2.gz VIWMPXFGWLQXBT-UHFFFAOYSA-N 2 1 283.397 2.430 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261588474 371664079 /nfs/dbraw/zinc/66/40/79/371664079.db2.gz KFOARDJKHVTXBS-SMDDNHRTSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261588474 371664083 /nfs/dbraw/zinc/66/40/83/371664083.db2.gz KFOARDJKHVTXBS-SMDDNHRTSA-N 2 1 263.341 2.327 20 5 CEBDMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414798420 375981623 /nfs/dbraw/zinc/98/16/23/375981623.db2.gz JBDJWNZRWWETMY-YGRLFVJLSA-N 2 1 281.331 2.341 20 5 CEBDMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422943411 376871319 /nfs/dbraw/zinc/87/13/19/376871319.db2.gz LJKCPDMSJVEZQT-DGCLKSJQSA-N 2 1 263.341 2.073 20 5 CEBDMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414838765 394763197 /nfs/dbraw/zinc/76/31/97/394763197.db2.gz ZKDGBQKBZHMCSK-JSGCOSHPSA-N 2 1 277.368 2.115 20 5 CEBDMP C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414910999 394800920 /nfs/dbraw/zinc/80/09/20/394800920.db2.gz SZJJFFCJOXUAQQ-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414943966 394815137 /nfs/dbraw/zinc/81/51/37/394815137.db2.gz FZXLZELWRMJHJO-DGCLKSJQSA-N 2 1 263.341 2.133 20 5 CEBDMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414975487 394833305 /nfs/dbraw/zinc/83/33/05/394833305.db2.gz OPLFBZPZWJCKCS-CQSZACIVSA-N 2 1 293.367 2.081 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415139548 394902419 /nfs/dbraw/zinc/90/24/19/394902419.db2.gz ZVPVZTSBGFQGPT-BXUZGUMPSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435435523 395366798 /nfs/dbraw/zinc/36/67/98/395366798.db2.gz BQBDUVSWSREBPW-AWEZNQCLSA-N 2 1 277.368 2.477 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217526490 153295939 /nfs/dbraw/zinc/29/59/39/153295939.db2.gz PYQSDVHICXZYPW-RYUDHWBXSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217526490 153295942 /nfs/dbraw/zinc/29/59/42/153295942.db2.gz PYQSDVHICXZYPW-RYUDHWBXSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397271516 270352508 /nfs/dbraw/zinc/35/25/08/270352508.db2.gz XKUZRQYWLGZADI-YRGRVCCFSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397271516 270352510 /nfs/dbraw/zinc/35/25/10/270352510.db2.gz XKUZRQYWLGZADI-YRGRVCCFSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588356 271396120 /nfs/dbraw/zinc/39/61/20/271396120.db2.gz DLDLWHZSYUZFDV-OLZOCXBDSA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588356 271396124 /nfs/dbraw/zinc/39/61/24/271396124.db2.gz DLDLWHZSYUZFDV-OLZOCXBDSA-N 2 1 293.367 2.033 20 5 CEBDMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422946831 280976220 /nfs/dbraw/zinc/97/62/20/280976220.db2.gz PJGJKVFGAAOSOH-OLZOCXBDSA-N 2 1 293.367 2.353 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474610 634666460 /nfs/dbraw/zinc/66/64/60/634666460.db2.gz GERLUMQXXVZDAU-REBRKWNGSA-N 2 1 289.379 2.398 20 5 CEBDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000906507993 636759079 /nfs/dbraw/zinc/75/90/79/636759079.db2.gz GNCUZCDPVKMNKN-HAQNSBGRSA-N 2 1 287.319 2.434 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923496769 643739342 /nfs/dbraw/zinc/73/93/42/643739342.db2.gz DDAONBWZTXYABT-ONGXEEELSA-N 2 1 269.370 2.073 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000723675128 802923020 /nfs/dbraw/zinc/92/30/20/802923020.db2.gz LUXWBXDWTSOGDX-LBPRGKRZSA-N 2 1 263.341 2.074 20 5 CEBDMP CCC[NH+](CCC)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965640 811317451 /nfs/dbraw/zinc/31/74/51/811317451.db2.gz BKUCHYGECGZKDT-ZIAGYGMSSA-N 2 1 271.405 2.143 20 5 CEBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168973987 811321419 /nfs/dbraw/zinc/32/14/19/811321419.db2.gz PVLGKCZAVOHZIM-QLFBSQMISA-N 2 1 283.416 2.286 20 5 CEBDMP [NH3+][C@@H]1CCCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324965 346821400 /nfs/dbraw/zinc/82/14/00/346821400.db2.gz SQKDMWKTYJJBEJ-CQSZACIVSA-N 2 1 277.368 2.341 20 5 CEBDMP [NH3+][C@@H]1CCCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324965 346821404 /nfs/dbraw/zinc/82/14/04/346821404.db2.gz SQKDMWKTYJJBEJ-CQSZACIVSA-N 2 1 277.368 2.341 20 5 CEBDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668393 361921602 /nfs/dbraw/zinc/92/16/02/361921602.db2.gz RTALSCDTFWTLDZ-TYNCELHUSA-N 2 1 277.368 2.413 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668393 361921608 /nfs/dbraw/zinc/92/16/08/361921608.db2.gz RTALSCDTFWTLDZ-TYNCELHUSA-N 2 1 277.368 2.413 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000049565065 343538125 /nfs/dbraw/zinc/53/81/25/343538125.db2.gz KEQGZZYEGIUQKA-HZPDHXFCSA-N 2 1 289.379 2.354 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251533432 344636580 /nfs/dbraw/zinc/63/65/80/344636580.db2.gz ALJYCOQBKZHWMV-TZMCWYRMSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251533432 344636582 /nfs/dbraw/zinc/63/65/82/344636582.db2.gz ALJYCOQBKZHWMV-TZMCWYRMSA-N 2 1 263.341 2.154 20 5 CEBDMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600710175 346675233 /nfs/dbraw/zinc/67/52/33/346675233.db2.gz QUQRWAZQDJEFCS-GFCCVEGCSA-N 2 1 293.367 2.062 20 5 CEBDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600713109 346676068 /nfs/dbraw/zinc/67/60/68/346676068.db2.gz DZSOUMQJTHXQIS-GLQYFDAESA-N 2 1 289.379 2.256 20 5 CEBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667125 347132249 /nfs/dbraw/zinc/13/22/49/347132249.db2.gz NTKUDPPGPWINCH-CJNGLKHVSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667125 347132250 /nfs/dbraw/zinc/13/22/50/347132250.db2.gz NTKUDPPGPWINCH-CJNGLKHVSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667125 347132251 /nfs/dbraw/zinc/13/22/51/347132251.db2.gz NTKUDPPGPWINCH-CJNGLKHVSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667125 347132253 /nfs/dbraw/zinc/13/22/53/347132253.db2.gz NTKUDPPGPWINCH-CJNGLKHVSA-N 2 1 291.395 2.409 20 5 CEBDMP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091846872 180269922 /nfs/dbraw/zinc/26/99/22/180269922.db2.gz NETNAKKTUNOTLU-UHFFFAOYSA-N 2 1 281.331 2.436 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000078492869 363551404 /nfs/dbraw/zinc/55/14/04/363551404.db2.gz MKPZCGFCHBSEPI-CYBMUJFWSA-N 2 1 263.341 2.298 20 5 CEBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000414765284 375957072 /nfs/dbraw/zinc/95/70/72/375957072.db2.gz BMIYKBBUKSFYJD-XQRVVYSFSA-N 2 1 261.325 2.030 20 5 CEBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000414765284 375957076 /nfs/dbraw/zinc/95/70/76/375957076.db2.gz BMIYKBBUKSFYJD-XQRVVYSFSA-N 2 1 261.325 2.030 20 5 CEBDMP C[C@H]1C[C@@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414771121 375960872 /nfs/dbraw/zinc/96/08/72/375960872.db2.gz ZDJJIAHUZKYTQL-ZFWWWQNUSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000414708544 375934195 /nfs/dbraw/zinc/93/41/95/375934195.db2.gz ZZZUHPMSYHBFAC-CHWSQXEVSA-N 2 1 289.379 2.341 20 5 CEBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000423256140 377177304 /nfs/dbraw/zinc/17/73/04/377177304.db2.gz BHVJBDUGEIQBOO-RYUDHWBXSA-N 2 1 295.383 2.500 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347035382 218101395 /nfs/dbraw/zinc/10/13/95/218101395.db2.gz GOLUCJGHBCRMBE-RISCZKNCSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347035382 218101396 /nfs/dbraw/zinc/10/13/96/218101396.db2.gz GOLUCJGHBCRMBE-RISCZKNCSA-N 2 1 263.341 2.072 20 5 CEBDMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414931561 394808704 /nfs/dbraw/zinc/80/87/04/394808704.db2.gz USKPHKPVSIJILM-QWRGUYRKSA-N 2 1 267.304 2.093 20 5 CEBDMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422946832 394869166 /nfs/dbraw/zinc/86/91/66/394869166.db2.gz PJGJKVFGAAOSOH-QWHCGFSZSA-N 2 1 293.367 2.353 20 5 CEBDMP Cc1cnccc1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565890024 395490032 /nfs/dbraw/zinc/49/00/32/395490032.db2.gz ZABLXQVKAYPDQW-UHFFFAOYSA-N 2 1 298.346 2.294 20 5 CEBDMP Cc1cnccc1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000565890024 395490036 /nfs/dbraw/zinc/49/00/36/395490036.db2.gz ZABLXQVKAYPDQW-UHFFFAOYSA-N 2 1 298.346 2.294 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346695190 154291243 /nfs/dbraw/zinc/29/12/43/154291243.db2.gz YUFZNHNVLQDLKM-AAEUAGOBSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346695190 154291249 /nfs/dbraw/zinc/29/12/49/154291249.db2.gz YUFZNHNVLQDLKM-AAEUAGOBSA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414821492 533682169 /nfs/dbraw/zinc/68/21/69/533682169.db2.gz CGOKBFSJRLNAJS-JSGCOSHPSA-N 2 1 277.368 2.258 20 5 CEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449254844 260322804 /nfs/dbraw/zinc/32/28/04/260322804.db2.gz YUCICXOJNYRCDG-ZDUSSCGKSA-N 2 1 289.379 2.377 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000580782059 322344341 /nfs/dbraw/zinc/34/43/41/322344341.db2.gz SDOVGRLXBZICCY-AAEUAGOBSA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000580782059 322344344 /nfs/dbraw/zinc/34/43/44/322344344.db2.gz SDOVGRLXBZICCY-AAEUAGOBSA-N 2 1 263.341 2.215 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000581131632 322371813 /nfs/dbraw/zinc/37/18/13/322371813.db2.gz NOCVBAHNBIFOAP-MNOVXSKESA-N 2 1 281.356 2.209 20 5 CEBDMP Cc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049554070 524602895 /nfs/dbraw/zinc/60/28/95/524602895.db2.gz AANPMYFCEJYVMK-GFCCVEGCSA-N 2 1 265.357 2.333 20 5 CEBDMP C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000697868785 806718772 /nfs/dbraw/zinc/71/87/72/806718772.db2.gz DQUDHQWEIUKJPB-NSHDSACASA-N 2 1 251.330 2.025 20 5 CEBDMP COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170318660 812385781 /nfs/dbraw/zinc/38/57/81/812385781.db2.gz QZVPXKAKZSGHRL-RYUDHWBXSA-N 2 1 295.383 2.061 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601334277 346823769 /nfs/dbraw/zinc/82/37/69/346823769.db2.gz JYSKXWOZIAZDGD-CZUORRHYSA-N 2 1 289.379 2.477 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601334277 346823771 /nfs/dbraw/zinc/82/37/71/346823771.db2.gz JYSKXWOZIAZDGD-CZUORRHYSA-N 2 1 289.379 2.477 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000600682541 346672453 /nfs/dbraw/zinc/67/24/53/346672453.db2.gz PGMDGDXECKLAAB-BPLDGKMQSA-N 2 1 289.379 2.258 20 5 CEBDMP C[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C[NH+](C)C ZINC000601168443 346775578 /nfs/dbraw/zinc/77/55/78/346775578.db2.gz XDQXYRYRLBSDBR-NSHDSACASA-N 2 1 288.351 2.175 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074727 363027196 /nfs/dbraw/zinc/02/71/96/363027196.db2.gz LNHOHGCIBFPUSG-VXGBXAGGSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074727 363027201 /nfs/dbraw/zinc/02/72/01/363027201.db2.gz LNHOHGCIBFPUSG-VXGBXAGGSA-N 2 1 263.341 2.154 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352504995 369762514 /nfs/dbraw/zinc/76/25/14/369762514.db2.gz WTJJXDINJCUVHV-ZDUSSCGKSA-N 2 1 293.367 2.177 20 5 CEBDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000359220596 371381325 /nfs/dbraw/zinc/38/13/25/371381325.db2.gz WSZVJHICXNNGRW-UHFFFAOYSA-N 2 1 277.368 2.416 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261652637 371692716 /nfs/dbraw/zinc/69/27/16/371692716.db2.gz DLABRQWVNZBFKL-UPJWGTAASA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261652637 371692718 /nfs/dbraw/zinc/69/27/18/371692718.db2.gz DLABRQWVNZBFKL-UPJWGTAASA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000388330451 375288372 /nfs/dbraw/zinc/28/83/72/375288372.db2.gz RFQDOIFUOBVFIL-BXUZGUMPSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000388330451 375288379 /nfs/dbraw/zinc/28/83/79/375288379.db2.gz RFQDOIFUOBVFIL-BXUZGUMPSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H]1C[C@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414771119 375960862 /nfs/dbraw/zinc/96/08/62/375960862.db2.gz ZDJJIAHUZKYTQL-UKRRQHHQSA-N 2 1 291.395 2.457 20 5 CEBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000263642525 190071367 /nfs/dbraw/zinc/07/13/67/190071367.db2.gz AIAGGYDBXJQKEL-UHFFFAOYSA-N 2 1 274.324 2.280 20 5 CEBDMP C[C@H]1C[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000556942894 376521326 /nfs/dbraw/zinc/52/13/26/376521326.db2.gz OWYLUCVOMKVDRA-STQMWFEESA-N 2 1 289.379 2.341 20 5 CEBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C)cc1[N+](=O)[O-] ZINC000423201220 377118315 /nfs/dbraw/zinc/11/83/15/377118315.db2.gz OBRZCUAJGLNENR-LLVKDONJSA-N 2 1 281.356 2.254 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422722251 394740229 /nfs/dbraw/zinc/74/02/29/394740229.db2.gz XJHBWPUUEQOTJP-BXUZGUMPSA-N 2 1 293.367 2.081 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414934774 394811041 /nfs/dbraw/zinc/81/10/41/394811041.db2.gz YEPDKDFAEOUBSZ-CHWSQXEVSA-N 2 1 293.367 2.353 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414969148 394830784 /nfs/dbraw/zinc/83/07/84/394830784.db2.gz JBHRZFUSQOMUAL-AWEZNQCLSA-N 2 1 277.368 2.381 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423384392 394907815 /nfs/dbraw/zinc/90/78/15/394907815.db2.gz QAHKNPVJAGSHJP-MDZLAQPJSA-N 2 1 263.341 2.386 20 5 CEBDMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000423337310 270899416 /nfs/dbraw/zinc/89/94/16/270899416.db2.gz VFLJOLNTJCYRBB-CQSZACIVSA-N 2 1 275.352 2.443 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000841033558 639626834 /nfs/dbraw/zinc/62/68/34/639626834.db2.gz VJCKQFFXHLTNRQ-LLVKDONJSA-N 2 1 283.759 2.337 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923500439 643741661 /nfs/dbraw/zinc/74/16/61/643741661.db2.gz QNDMSZYOSDAQRY-QWRGUYRKSA-N 2 1 281.331 2.151 20 5 CEBDMP Cc1c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000723907859 802966428 /nfs/dbraw/zinc/96/64/28/802966428.db2.gz OHEAQCSGULACAK-DGCLKSJQSA-N 2 1 277.368 2.320 20 5 CEBDMP CC(C)[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168998048 811327495 /nfs/dbraw/zinc/32/74/95/811327495.db2.gz HQXLVSDJVFBQTN-KBUPBQIOSA-N 2 1 283.416 2.412 20 5 CEBDMP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900338 815539698 /nfs/dbraw/zinc/53/96/98/815539698.db2.gz SMZKUNABBMJUEU-CABCVRRESA-N 2 1 289.379 2.265 20 5 CEBDMP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900338 815539702 /nfs/dbraw/zinc/53/97/02/815539702.db2.gz SMZKUNABBMJUEU-CABCVRRESA-N 2 1 289.379 2.265 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449086815 282094486 /nfs/dbraw/zinc/09/44/86/282094486.db2.gz CRVAHTNZTGLIKD-KGLIPLIRSA-N 2 1 291.395 2.457 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000592431653 345352799 /nfs/dbraw/zinc/35/27/99/345352799.db2.gz VRIVOQMSXMXBJX-UHFFFAOYSA-N 2 1 263.341 2.216 20 5 CEBDMP CC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592488994 345359667 /nfs/dbraw/zinc/35/96/67/345359667.db2.gz OQZJGCLVNVECPJ-SWLSCSKDSA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000057994220 362603703 /nfs/dbraw/zinc/60/37/03/362603703.db2.gz ILUDLGAYOXXGJH-ZDUSSCGKSA-N 2 1 277.368 2.416 20 5 CEBDMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600710176 346675122 /nfs/dbraw/zinc/67/51/22/346675122.db2.gz QUQRWAZQDJEFCS-LBPRGKRZSA-N 2 1 293.367 2.062 20 5 CEBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000601109681 346755705 /nfs/dbraw/zinc/75/57/05/346755705.db2.gz WUMKOBHXSHQXQL-LLVKDONJSA-N 2 1 298.346 2.214 20 5 CEBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000601109681 346755708 /nfs/dbraw/zinc/75/57/08/346755708.db2.gz WUMKOBHXSHQXQL-LLVKDONJSA-N 2 1 298.346 2.214 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074506 363026799 /nfs/dbraw/zinc/02/67/99/363026799.db2.gz SKIOAHYSDCMWAM-AAEUAGOBSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074506 363026803 /nfs/dbraw/zinc/02/68/03/363026803.db2.gz SKIOAHYSDCMWAM-AAEUAGOBSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000271456243 191148404 /nfs/dbraw/zinc/14/84/04/191148404.db2.gz GSOWRSQSCPMCSS-OCCSQVGLSA-N 2 1 277.368 2.210 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346635709 368744088 /nfs/dbraw/zinc/74/40/88/368744088.db2.gz HMXKGERWUOJJKT-DGCLKSJQSA-N 2 1 263.341 2.072 20 5 CEBDMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000261574836 371657531 /nfs/dbraw/zinc/65/75/31/371657531.db2.gz YININPOLCXWLQM-ZDUSSCGKSA-N 2 1 263.341 2.073 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781927 375966275 /nfs/dbraw/zinc/96/62/75/375966275.db2.gz NTCMYRKJLNEGQQ-KGLIPLIRSA-N 2 1 289.379 2.416 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CC1 ZINC000414805666 375992026 /nfs/dbraw/zinc/99/20/26/375992026.db2.gz MDOQCMNHCYDOQJ-SMDDNHRTSA-N 2 1 277.368 2.243 20 5 CEBDMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423276913 377199833 /nfs/dbraw/zinc/19/98/33/377199833.db2.gz NMFBAZABIWPMPL-LSDHHAIUSA-N 2 1 275.352 2.299 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346836729 218031253 /nfs/dbraw/zinc/03/12/53/218031253.db2.gz VBOITAZUEILMII-NWANDNLSSA-N 2 1 275.352 2.072 20 5 CEBDMP [NH3+]C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347170226 218143585 /nfs/dbraw/zinc/14/35/85/218143585.db2.gz NMMSMRBTHGMXCE-LVDDQXARSA-N 2 1 275.352 2.279 20 5 CEBDMP [NH3+]C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347170226 218143587 /nfs/dbraw/zinc/14/35/87/218143587.db2.gz NMMSMRBTHGMXCE-LVDDQXARSA-N 2 1 275.352 2.279 20 5 CEBDMP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420333972 395332512 /nfs/dbraw/zinc/33/25/12/395332512.db2.gz KMIKLNHJPNWEJW-TXEJJXNPSA-N 2 1 293.342 2.165 20 5 CEBDMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285351870 196257769 /nfs/dbraw/zinc/25/77/69/196257769.db2.gz PPTHNBSKENVXFM-UHFFFAOYSA-N 2 1 288.351 2.274 20 5 CEBDMP Cc1[nH+]ccn1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285351870 196257770 /nfs/dbraw/zinc/25/77/70/196257770.db2.gz PPTHNBSKENVXFM-UHFFFAOYSA-N 2 1 288.351 2.274 20 5 CEBDMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000158253360 289230577 /nfs/dbraw/zinc/23/05/77/289230577.db2.gz MZBLVEYWPKEVLY-CHWSQXEVSA-N 2 1 293.367 2.046 20 5 CEBDMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000158253360 289230578 /nfs/dbraw/zinc/23/05/78/289230578.db2.gz MZBLVEYWPKEVLY-CHWSQXEVSA-N 2 1 293.367 2.046 20 5 CEBDMP C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841051917 639632983 /nfs/dbraw/zinc/63/29/83/639632983.db2.gz RQWNCPBAXURLPX-MRVPVSSYSA-N 2 1 257.721 2.075 20 5 CEBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000923493673 643736835 /nfs/dbraw/zinc/73/68/35/643736835.db2.gz UWGXUAPZPCFBSK-JTQLQIEISA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923496766 643739624 /nfs/dbraw/zinc/73/96/24/643739624.db2.gz DDAONBWZTXYABT-GXSJLCMTSA-N 2 1 269.370 2.073 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000873126781 649564688 /nfs/dbraw/zinc/56/46/88/649564688.db2.gz COIMWYKVMJGZBO-NSHDSACASA-N 2 1 279.384 2.499 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000723701570 811028360 /nfs/dbraw/zinc/02/83/60/811028360.db2.gz OBKOAQQVMNTXBQ-GFCCVEGCSA-N 2 1 263.341 2.074 20 5 CEBDMP CCCC[N@H+](CC)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967347 811319416 /nfs/dbraw/zinc/31/94/16/811319416.db2.gz OYPVJUFISWDSPN-KBPBESRZSA-N 2 1 271.405 2.143 20 5 CEBDMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967347 811319430 /nfs/dbraw/zinc/31/94/30/811319430.db2.gz OYPVJUFISWDSPN-KBPBESRZSA-N 2 1 271.405 2.143 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327600 346822271 /nfs/dbraw/zinc/82/22/71/346822271.db2.gz XIBCVADMUTXTCM-NTZNESFSSA-N 2 1 263.341 2.182 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335647 346824712 /nfs/dbraw/zinc/82/47/12/346824712.db2.gz WQPYXUPFOHPUGT-HOCLYGCPSA-N 2 1 289.379 2.211 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000592474272 345358617 /nfs/dbraw/zinc/35/86/17/345358617.db2.gz PVSCJKSNOYYHNS-LLVKDONJSA-N 2 1 251.330 2.245 20 5 CEBDMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512899 345801006 /nfs/dbraw/zinc/80/10/06/345801006.db2.gz XSWRGDSNBIQNGS-HNNXBMFYSA-N 2 1 293.342 2.262 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000596101324 345939977 /nfs/dbraw/zinc/93/99/77/345939977.db2.gz FTBIYRZUWBIIFF-SNVBAGLBSA-N 2 1 257.359 2.119 20 5 CEBDMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000603435780 347370055 /nfs/dbraw/zinc/37/00/55/347370055.db2.gz ZFMYWULDRMUKQV-BIMULSAOSA-N 2 1 263.341 2.371 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074728 363026753 /nfs/dbraw/zinc/02/67/53/363026753.db2.gz LNHOHGCIBFPUSG-RYUDHWBXSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074728 363026759 /nfs/dbraw/zinc/02/67/59/363026759.db2.gz LNHOHGCIBFPUSG-RYUDHWBXSA-N 2 1 263.341 2.154 20 5 CEBDMP C[NH2+]CCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000070189094 363050962 /nfs/dbraw/zinc/05/09/62/363050962.db2.gz UGIASKFPGUHRSJ-UHFFFAOYSA-N 2 1 283.397 2.478 20 5 CEBDMP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000570527691 299263283 /nfs/dbraw/zinc/26/32/83/299263283.db2.gz QZGXLPWESFQWMK-BXUZGUMPSA-N 2 1 277.368 2.369 20 5 CEBDMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173318155 367895875 /nfs/dbraw/zinc/89/58/75/367895875.db2.gz HJMUBARALYCBCL-ZDUSSCGKSA-N 2 1 295.383 2.214 20 5 CEBDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173318155 367895882 /nfs/dbraw/zinc/89/58/82/367895882.db2.gz HJMUBARALYCBCL-ZDUSSCGKSA-N 2 1 295.383 2.214 20 5 CEBDMP C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253179335 371500406 /nfs/dbraw/zinc/50/04/06/371500406.db2.gz CSZSRYNSKGFJHM-TZMCWYRMSA-N 2 1 277.368 2.054 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261974053 371788270 /nfs/dbraw/zinc/78/82/70/371788270.db2.gz IMSZSPQLORCNID-HNNXBMFYSA-N 2 1 275.352 2.089 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261974053 371788274 /nfs/dbraw/zinc/78/82/74/371788274.db2.gz IMSZSPQLORCNID-HNNXBMFYSA-N 2 1 275.352 2.089 20 5 CEBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[NH3+] ZINC000423176751 377087727 /nfs/dbraw/zinc/08/77/27/377087727.db2.gz CYMZEIWAEKDFQD-JTQLQIEISA-N 2 1 269.370 2.014 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346839579 218032807 /nfs/dbraw/zinc/03/28/07/218032807.db2.gz YNURRUOMIBCVBR-BPUTZDHNSA-N 2 1 289.379 2.462 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037943 218100688 /nfs/dbraw/zinc/10/06/88/218100688.db2.gz GEMJYPIWPBPIMG-GXTWGEPZSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037943 218100689 /nfs/dbraw/zinc/10/06/89/218100689.db2.gz GEMJYPIWPBPIMG-GXTWGEPZSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675981 394500023 /nfs/dbraw/zinc/50/00/23/394500023.db2.gz PZDMRVURKPADMY-DVOMOZLQSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675980 394500226 /nfs/dbraw/zinc/50/02/26/394500226.db2.gz PZDMRVURKPADMY-XJKCOSOUSA-N 2 1 291.395 2.456 20 5 CEBDMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414865144 394777807 /nfs/dbraw/zinc/77/78/07/394777807.db2.gz YYQUVDPMZMDRQD-DGCLKSJQSA-N 2 1 293.367 2.081 20 5 CEBDMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414931567 394808827 /nfs/dbraw/zinc/80/88/27/394808827.db2.gz USKPHKPVSIJILM-WDEREUQCSA-N 2 1 267.304 2.093 20 5 CEBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420366553 395353613 /nfs/dbraw/zinc/35/36/13/395353613.db2.gz RJGBEJYRTVJICO-ZDUSSCGKSA-N 2 1 265.357 2.100 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217513691 153295295 /nfs/dbraw/zinc/29/52/95/153295295.db2.gz AKJHOQJTLMCUTG-NEPJUHHUSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217513691 153295299 /nfs/dbraw/zinc/29/52/99/153295299.db2.gz AKJHOQJTLMCUTG-NEPJUHHUSA-N 2 1 263.341 2.327 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000037408361 173184502 /nfs/dbraw/zinc/18/45/02/173184502.db2.gz QHIRKWYUSKFWIO-CQSZACIVSA-N 2 1 289.379 2.477 20 5 CEBDMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000423069309 270826916 /nfs/dbraw/zinc/82/69/16/270826916.db2.gz DQMLVJCKRCKUPZ-PBWFPOADSA-N 2 1 275.352 2.276 20 5 CEBDMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860501 276074783 /nfs/dbraw/zinc/07/47/83/276074783.db2.gz KDASBAQTFOPJJD-OAHLLOKOSA-N 2 1 291.395 2.411 20 5 CEBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860501 276074784 /nfs/dbraw/zinc/07/47/84/276074784.db2.gz KDASBAQTFOPJJD-OAHLLOKOSA-N 2 1 291.395 2.411 20 5 CEBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860501 276074785 /nfs/dbraw/zinc/07/47/85/276074785.db2.gz KDASBAQTFOPJJD-OAHLLOKOSA-N 2 1 291.395 2.411 20 5 CEBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000072860501 276074786 /nfs/dbraw/zinc/07/47/86/276074786.db2.gz KDASBAQTFOPJJD-OAHLLOKOSA-N 2 1 291.395 2.411 20 5 CEBDMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423464121 281048105 /nfs/dbraw/zinc/04/81/05/281048105.db2.gz LVRPLGIHUQNASH-RISCZKNCSA-N 2 1 263.341 2.299 20 5 CEBDMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313799179 536861113 /nfs/dbraw/zinc/86/11/13/536861113.db2.gz FSKVVWBUPQQJIS-IAQYHMDHSA-N 2 1 293.367 2.020 20 5 CEBDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313799179 536861118 /nfs/dbraw/zinc/86/11/18/536861118.db2.gz FSKVVWBUPQQJIS-IAQYHMDHSA-N 2 1 293.367 2.020 20 5 CEBDMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429028 634650255 /nfs/dbraw/zinc/65/02/55/634650255.db2.gz JJIDYFXBEBDGDZ-MBNYWOFBSA-N 2 1 277.368 2.428 20 5 CEBDMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817938983 633788510 /nfs/dbraw/zinc/78/85/10/633788510.db2.gz WTIBSQFWDCYZBV-NSHDSACASA-N 2 1 292.383 2.489 20 5 CEBDMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817959386 633801269 /nfs/dbraw/zinc/80/12/69/633801269.db2.gz CQAQCNBBVZBGRY-SNVBAGLBSA-N 2 1 280.372 2.345 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923487694 643731096 /nfs/dbraw/zinc/73/10/96/643731096.db2.gz BFXGOUSQYVKEFS-VXGBXAGGSA-N 2 1 293.367 2.020 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923501901 643742326 /nfs/dbraw/zinc/74/23/26/643742326.db2.gz WUHAPOLVXXIPME-GHMZBOCLSA-N 2 1 281.331 2.151 20 5 CEBDMP C[C@@H](CC[NH2+]Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000697869444 806719028 /nfs/dbraw/zinc/71/90/28/806719028.db2.gz HEOANFZSYMPWRE-NSHDSACASA-N 2 1 251.330 2.025 20 5 CEBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000723684110 802924992 /nfs/dbraw/zinc/92/49/92/802924992.db2.gz VQROZYBRYYEYEK-SNVBAGLBSA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723890319 802964714 /nfs/dbraw/zinc/96/47/14/802964714.db2.gz FUDOTLMRTRLQDM-VXGBXAGGSA-N 2 1 263.341 2.012 20 5 CEBDMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169003590 811330442 /nfs/dbraw/zinc/33/04/42/811330442.db2.gz OKSMYBWSMQGUCQ-ZNMIVQPWSA-N 2 1 283.416 2.273 20 5 CEBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)C[NH3+])c1F ZINC001173177352 815617051 /nfs/dbraw/zinc/61/70/51/815617051.db2.gz SXMQZLUSKPZCTI-VIFPVBQESA-N 2 1 299.346 2.000 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325504 346821081 /nfs/dbraw/zinc/82/10/81/346821081.db2.gz DJKITONJSFTQCJ-GRYCIOLGSA-N 2 1 263.341 2.182 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251533420 344636598 /nfs/dbraw/zinc/63/65/98/344636598.db2.gz ALJYCOQBKZHWMV-GXTWGEPZSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251533420 344636601 /nfs/dbraw/zinc/63/66/01/344636601.db2.gz ALJYCOQBKZHWMV-GXTWGEPZSA-N 2 1 263.341 2.154 20 5 CEBDMP CCC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602530833 347067492 /nfs/dbraw/zinc/06/74/92/347067492.db2.gz TWOVKFMHHJSXDL-HNNXBMFYSA-N 2 1 291.395 2.459 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868266 186143818 /nfs/dbraw/zinc/14/38/18/186143818.db2.gz NZBPTKGHGVTEDE-UONOGXRCSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868266 186143819 /nfs/dbraw/zinc/14/38/19/186143819.db2.gz NZBPTKGHGVTEDE-UONOGXRCSA-N 2 1 275.352 2.311 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070170917 363043381 /nfs/dbraw/zinc/04/33/81/363043381.db2.gz FZKJVHKTUCANIX-AWEZNQCLSA-N 2 1 277.368 2.198 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291722860 198070245 /nfs/dbraw/zinc/07/02/45/198070245.db2.gz MVYXEANQKAEAQC-NSHDSACASA-N 2 1 265.357 2.191 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000261743264 371718564 /nfs/dbraw/zinc/71/85/64/371718564.db2.gz SIBBNBMQVSJIGB-VZJVUDMVSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000261743264 371718569 /nfs/dbraw/zinc/71/85/69/371718569.db2.gz SIBBNBMQVSJIGB-VZJVUDMVSA-N 2 1 293.342 2.293 20 5 CEBDMP C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000386129304 375253220 /nfs/dbraw/zinc/25/32/20/375253220.db2.gz OGZSUTBPDFHFKR-SWLSCSKDSA-N 2 1 277.368 2.258 20 5 CEBDMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583712 377640983 /nfs/dbraw/zinc/64/09/83/377640983.db2.gz FAFJOJPRGDMFLU-GHMZBOCLSA-N 2 1 280.372 2.168 20 5 CEBDMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293735151 377729408 /nfs/dbraw/zinc/72/94/08/377729408.db2.gz NDKAQDLKNUHHSV-GFCCVEGCSA-N 2 1 292.383 2.314 20 5 CEBDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347168366 218144125 /nfs/dbraw/zinc/14/41/25/218144125.db2.gz MMHMNJBOVWCUMU-CYBMUJFWSA-N 2 1 277.368 2.335 20 5 CEBDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000347168366 218144127 /nfs/dbraw/zinc/14/41/27/218144127.db2.gz MMHMNJBOVWCUMU-CYBMUJFWSA-N 2 1 277.368 2.335 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414840243 394764915 /nfs/dbraw/zinc/76/49/15/394764915.db2.gz YIJDEPOVIYUFPK-GFCCVEGCSA-N 2 1 293.367 2.083 20 5 CEBDMP C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1c[nH+]ccc1N ZINC000423009853 394880385 /nfs/dbraw/zinc/88/03/85/394880385.db2.gz FDSUVEJSSHRBBY-LLVKDONJSA-N 2 1 286.335 2.296 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423391706 394911599 /nfs/dbraw/zinc/91/15/99/394911599.db2.gz KYQGQSJOZUEGPX-UHIISALHSA-N 2 1 263.341 2.243 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000420278157 395290910 /nfs/dbraw/zinc/29/09/10/395290910.db2.gz UXFVPAYZPUISCR-NSHDSACASA-N 2 1 263.341 2.387 20 5 CEBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420366551 395354264 /nfs/dbraw/zinc/35/42/64/395354264.db2.gz RJGBEJYRTVJICO-CYBMUJFWSA-N 2 1 265.357 2.100 20 5 CEBDMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000430565173 271392165 /nfs/dbraw/zinc/39/21/65/271392165.db2.gz FALMKMRDRSPGBZ-ZDUSSCGKSA-N 2 1 251.330 2.058 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430588073 271396891 /nfs/dbraw/zinc/39/68/91/271396891.db2.gz BUHOAUKGTOAOAH-STQMWFEESA-N 2 1 293.367 2.033 20 5 CEBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000894273045 629291772 /nfs/dbraw/zinc/29/17/72/629291772.db2.gz NKWKUXDCSIAYCJ-UHFFFAOYSA-N 2 1 291.395 2.411 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000903954216 635388230 /nfs/dbraw/zinc/38/82/30/635388230.db2.gz AOBAFGPIYZITMY-LBPRGKRZSA-N 2 1 299.321 2.238 20 5 CEBDMP Cc1c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000228073276 639614245 /nfs/dbraw/zinc/61/42/45/639614245.db2.gz XKQVDTAEAZGAMI-PWSUYJOCSA-N 2 1 263.341 2.072 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923487690 643731268 /nfs/dbraw/zinc/73/12/68/643731268.db2.gz BFXGOUSQYVKEFS-RYUDHWBXSA-N 2 1 293.367 2.020 20 5 CEBDMP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000124727550 365659359 /nfs/dbraw/zinc/65/93/59/365659359.db2.gz IGCAZGMWJWQYLG-NSHDSACASA-N 2 1 251.330 2.197 20 5 CEBDMP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000124727550 365659364 /nfs/dbraw/zinc/65/93/64/365659364.db2.gz IGCAZGMWJWQYLG-NSHDSACASA-N 2 1 251.330 2.197 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000049565066 343537987 /nfs/dbraw/zinc/53/79/87/343537987.db2.gz KEQGZZYEGIUQKA-JKSUJKDBSA-N 2 1 289.379 2.354 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122381186 344306043 /nfs/dbraw/zinc/30/60/43/344306043.db2.gz TVOITARIADJRMT-JSGCOSHPSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122381186 344306044 /nfs/dbraw/zinc/30/60/44/344306044.db2.gz TVOITARIADJRMT-JSGCOSHPSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000251619672 344637039 /nfs/dbraw/zinc/63/70/39/344637039.db2.gz DYQQGLZGSBZJTB-UKRRQHHQSA-N 2 1 277.368 2.197 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471323 345358459 /nfs/dbraw/zinc/35/84/59/345358459.db2.gz VJDAJZNOARLERL-UHFFFAOYSA-N 2 1 289.379 2.354 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070074640 363027604 /nfs/dbraw/zinc/02/76/04/363027604.db2.gz RDDWWRRFILQILX-GXTWGEPZSA-N 2 1 277.368 2.197 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123212497 187077927 /nfs/dbraw/zinc/07/79/27/187077927.db2.gz BIAXQQPDYKAJDW-DOMZBBRYSA-N 2 1 277.368 2.067 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352504994 369761832 /nfs/dbraw/zinc/76/18/32/369761832.db2.gz WTJJXDINJCUVHV-CYBMUJFWSA-N 2 1 293.367 2.177 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230045153 370437221 /nfs/dbraw/zinc/43/72/21/370437221.db2.gz KZLANYODIBVQOW-AEGPPILISA-N 2 1 275.352 2.154 20 5 CEBDMP C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253189742 371501034 /nfs/dbraw/zinc/50/10/34/371501034.db2.gz KOAYSSVQIBDGEN-DGCLKSJQSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000253189742 371501037 /nfs/dbraw/zinc/50/10/37/371501037.db2.gz KOAYSSVQIBDGEN-DGCLKSJQSA-N 2 1 263.341 2.012 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414790046 375971629 /nfs/dbraw/zinc/97/16/29/375971629.db2.gz ZHSXOKPFTVQRCS-LSDHHAIUSA-N 2 1 289.379 2.416 20 5 CEBDMP CCC[C@H]([NH2+]CC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423308761 377237432 /nfs/dbraw/zinc/23/74/32/377237432.db2.gz YHMGZBPFEVKTOB-AWEZNQCLSA-N 2 1 263.341 2.245 20 5 CEBDMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293919261 377825111 /nfs/dbraw/zinc/82/51/11/377825111.db2.gz XHFOXRLMUTYORD-LLVKDONJSA-N 2 1 292.383 2.312 20 5 CEBDMP C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294034979 377879012 /nfs/dbraw/zinc/87/90/12/377879012.db2.gz FSEVGBXFUCDMKM-MNOVXSKESA-N 2 1 280.372 2.025 20 5 CEBDMP C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000294034973 377879373 /nfs/dbraw/zinc/87/93/73/377879373.db2.gz FSEVGBXFUCDMKM-GHMZBOCLSA-N 2 1 280.372 2.025 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000443057463 378030573 /nfs/dbraw/zinc/03/05/73/378030573.db2.gz GQDUGCIDWUJWKQ-ZDUSSCGKSA-N 2 1 293.367 2.034 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346836728 218030037 /nfs/dbraw/zinc/03/00/37/218030037.db2.gz VBOITAZUEILMII-CFVMTHIKSA-N 2 1 275.352 2.072 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000423386790 394909359 /nfs/dbraw/zinc/90/93/59/394909359.db2.gz RRHUKSXBEKLHPZ-MBNYWOFBSA-N 2 1 277.368 2.256 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423391703 394911645 /nfs/dbraw/zinc/91/16/45/394911645.db2.gz KYQGQSJOZUEGPX-MJVIPROJSA-N 2 1 263.341 2.243 20 5 CEBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435628949 395379914 /nfs/dbraw/zinc/37/99/14/395379914.db2.gz WMWNAPUARAZADI-CYBMUJFWSA-N 2 1 293.367 2.048 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000037408360 173184516 /nfs/dbraw/zinc/18/45/16/173184516.db2.gz QHIRKWYUSKFWIO-AWEZNQCLSA-N 2 1 289.379 2.477 20 5 CEBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040601376 174351618 /nfs/dbraw/zinc/35/16/18/174351618.db2.gz RWFZLBQSEWVAJD-CQSZACIVSA-N 2 1 277.368 2.069 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044533163 270229476 /nfs/dbraw/zinc/22/94/76/270229476.db2.gz UOPBUPOVLSFZRM-AWEZNQCLSA-N 2 1 277.368 2.335 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044533163 270229477 /nfs/dbraw/zinc/22/94/77/270229477.db2.gz UOPBUPOVLSFZRM-AWEZNQCLSA-N 2 1 277.368 2.335 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588358 271395790 /nfs/dbraw/zinc/39/57/90/271395790.db2.gz DLDLWHZSYUZFDV-STQMWFEESA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588358 271395792 /nfs/dbraw/zinc/39/57/92/271395792.db2.gz DLDLWHZSYUZFDV-STQMWFEESA-N 2 1 293.367 2.033 20 5 CEBDMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000071142376 277286401 /nfs/dbraw/zinc/28/64/01/277286401.db2.gz HEGGASQFDLVFGO-VXGBXAGGSA-N 2 1 263.341 2.197 20 5 CEBDMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000071142376 277286402 /nfs/dbraw/zinc/28/64/02/277286402.db2.gz HEGGASQFDLVFGO-VXGBXAGGSA-N 2 1 263.341 2.197 20 5 CEBDMP C[N@H+]1C[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933740014 623987624 /nfs/dbraw/zinc/98/76/24/623987624.db2.gz GGTLQZHQYZFRMB-ZBFHGGJFSA-N 2 1 289.379 2.021 20 5 CEBDMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933740014 623987626 /nfs/dbraw/zinc/98/76/26/623987626.db2.gz GGTLQZHQYZFRMB-ZBFHGGJFSA-N 2 1 289.379 2.021 20 5 CEBDMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933740014 623987628 /nfs/dbraw/zinc/98/76/28/623987628.db2.gz GGTLQZHQYZFRMB-ZBFHGGJFSA-N 2 1 289.379 2.021 20 5 CEBDMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933740014 623987630 /nfs/dbraw/zinc/98/76/30/623987630.db2.gz GGTLQZHQYZFRMB-ZBFHGGJFSA-N 2 1 289.379 2.021 20 5 CEBDMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000904308347 635559039 /nfs/dbraw/zinc/55/90/39/635559039.db2.gz OOBJPGDXQQKOPW-BETUJISGSA-N 2 1 275.352 2.297 20 5 CEBDMP [NH3+]CC[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000904406903 635614331 /nfs/dbraw/zinc/61/43/31/635614331.db2.gz WQHUWMUMNXCRTR-LQPUYASZSA-N 2 1 275.352 2.279 20 5 CEBDMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841030907 639622997 /nfs/dbraw/zinc/62/29/97/639622997.db2.gz OUWKLYLQSWQKOE-TVQRCGJNSA-N 2 1 283.759 2.465 20 5 CEBDMP C[C@H](CC[NH2+]Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000697869443 806718394 /nfs/dbraw/zinc/71/83/94/806718394.db2.gz HEOANFZSYMPWRE-LLVKDONJSA-N 2 1 251.330 2.025 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000229093102 807236078 /nfs/dbraw/zinc/23/60/78/807236078.db2.gz BAUSBYCXBLGEEJ-RISCZKNCSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000229093102 807236084 /nfs/dbraw/zinc/23/60/84/807236084.db2.gz BAUSBYCXBLGEEJ-RISCZKNCSA-N 2 1 277.368 2.320 20 5 CEBDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168979019 811308124 /nfs/dbraw/zinc/30/81/24/811308124.db2.gz WENUWGLZHKUOFM-QKGCVVFFSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168979019 811308135 /nfs/dbraw/zinc/30/81/35/811308135.db2.gz WENUWGLZHKUOFM-QKGCVVFFSA-N 2 1 281.400 2.037 20 5 CEBDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169008236 811331683 /nfs/dbraw/zinc/33/16/83/811331683.db2.gz SHHGMUSMBMJPSW-KBXIAJHMSA-N 2 1 283.416 2.140 20 5 CEBDMP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900342 815539626 /nfs/dbraw/zinc/53/96/26/815539626.db2.gz SMZKUNABBMJUEU-GJZGRUSLSA-N 2 1 289.379 2.265 20 5 CEBDMP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900342 815539628 /nfs/dbraw/zinc/53/96/28/815539628.db2.gz SMZKUNABBMJUEU-GJZGRUSLSA-N 2 1 289.379 2.265 20 5 CEBDMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000697936421 814654563 /nfs/dbraw/zinc/65/45/63/814654563.db2.gz NYCGPQZBBGKPEA-LLVKDONJSA-N 2 1 281.356 2.033 20 5 CEBDMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215117 815623478 /nfs/dbraw/zinc/62/34/78/815623478.db2.gz SJQFJEULIYNFQV-NSHDSACASA-N 2 1 288.351 2.405 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001173213813 815637159 /nfs/dbraw/zinc/63/71/59/815637159.db2.gz KRXJVRQMWWQBPQ-JSGCOSHPSA-N 2 1 277.368 2.067 20 5 CEBDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037266973 361902611 /nfs/dbraw/zinc/90/26/11/361902611.db2.gz ZMSGVKVRCQYUST-NSHDSACASA-N 2 1 263.341 2.340 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000037644769 343430515 /nfs/dbraw/zinc/43/05/15/343430515.db2.gz XBISWBIPJZVAOK-CQSZACIVSA-N 2 1 277.368 2.069 20 5 CEBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000069754229 343791017 /nfs/dbraw/zinc/79/10/17/343791017.db2.gz WWPQTCZPSSJXBD-UHFFFAOYSA-N 2 1 274.324 2.280 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251864052 344637867 /nfs/dbraw/zinc/63/78/67/344637867.db2.gz TVOITARIADJRMT-GXTWGEPZSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251864052 344637870 /nfs/dbraw/zinc/63/78/70/344637870.db2.gz TVOITARIADJRMT-GXTWGEPZSA-N 2 1 263.341 2.154 20 5 CEBDMP Cc1[nH+]ccn1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602518340 347064322 /nfs/dbraw/zinc/06/43/22/347064322.db2.gz PSWSMBUWYCHYIK-UHFFFAOYSA-N 2 1 288.351 2.322 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592427590 345351647 /nfs/dbraw/zinc/35/16/47/345351647.db2.gz GDUCPXVORYVYTI-DOMZBBRYSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592427590 345351650 /nfs/dbraw/zinc/35/16/50/345351650.db2.gz GDUCPXVORYVYTI-DOMZBBRYSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489504 345359648 /nfs/dbraw/zinc/35/96/48/345359648.db2.gz YCWVBEORJPVNFC-QWHCGFSZSA-N 2 1 293.367 2.033 20 5 CEBDMP CC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489504 345359649 /nfs/dbraw/zinc/35/96/49/345359649.db2.gz YCWVBEORJPVNFC-QWHCGFSZSA-N 2 1 293.367 2.033 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000592493990 345360141 /nfs/dbraw/zinc/36/01/41/345360141.db2.gz MYSRJLNAAHLZAY-CYBMUJFWSA-N 2 1 275.352 2.169 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000592493990 345360143 /nfs/dbraw/zinc/36/01/43/345360143.db2.gz MYSRJLNAAHLZAY-CYBMUJFWSA-N 2 1 275.352 2.169 20 5 CEBDMP CN(CC[NH+](C)C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601123792 346760025 /nfs/dbraw/zinc/76/00/25/346760025.db2.gz JRLWVFJGFFGAKB-UHFFFAOYSA-N 2 1 274.324 2.141 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070169751 363044089 /nfs/dbraw/zinc/04/40/89/363044089.db2.gz BMOWUWBTPJBZET-LBPRGKRZSA-N 2 1 263.341 2.156 20 5 CEBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000104085976 364676097 /nfs/dbraw/zinc/67/60/97/364676097.db2.gz LLXMLKBOTLFUNA-UHFFFAOYSA-N 2 1 277.368 2.368 20 5 CEBDMP C[NH+](C)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114199457 364931441 /nfs/dbraw/zinc/93/14/41/364931441.db2.gz UZGIGBOHWDLUFE-CQSZACIVSA-N 2 1 277.368 2.021 20 5 CEBDMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114199457 364931443 /nfs/dbraw/zinc/93/14/43/364931443.db2.gz UZGIGBOHWDLUFE-CQSZACIVSA-N 2 1 277.368 2.021 20 5 CEBDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173362376 367902119 /nfs/dbraw/zinc/90/21/19/367902119.db2.gz LAVJXZSVMBTOOJ-IUODEOHRSA-N 2 1 277.368 2.415 20 5 CEBDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173362376 367902123 /nfs/dbraw/zinc/90/21/23/367902123.db2.gz LAVJXZSVMBTOOJ-IUODEOHRSA-N 2 1 277.368 2.415 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261622397 371682158 /nfs/dbraw/zinc/68/21/58/371682158.db2.gz UUXZFLMXAIOQSM-SUNKGSAMSA-N 2 1 263.341 2.243 20 5 CEBDMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283979207 375790657 /nfs/dbraw/zinc/79/06/57/375790657.db2.gz GWJVRKNCAHPYFI-NSHDSACASA-N 2 1 294.399 2.415 20 5 CEBDMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423276912 377200444 /nfs/dbraw/zinc/20/04/44/377200444.db2.gz NMFBAZABIWPMPL-HUUCEWRRSA-N 2 1 275.352 2.299 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973447 377518857 /nfs/dbraw/zinc/51/88/57/377518857.db2.gz BALDTNXRMKXBMR-MRXNPFEDSA-N 2 1 289.379 2.479 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973447 377518863 /nfs/dbraw/zinc/51/88/63/377518863.db2.gz BALDTNXRMKXBMR-MRXNPFEDSA-N 2 1 289.379 2.479 20 5 CEBDMP C[C@@H](CC[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414877556 533580381 /nfs/dbraw/zinc/58/03/81/533580381.db2.gz GEFQMDIIXMIMPZ-QMMMGPOBSA-N 2 1 257.721 2.075 20 5 CEBDMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000251494743 394568055 /nfs/dbraw/zinc/56/80/55/394568055.db2.gz DOODWQUJKSLKBL-NEPJUHHUSA-N 2 1 263.341 2.197 20 5 CEBDMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000251494743 394568057 /nfs/dbraw/zinc/56/80/57/394568057.db2.gz DOODWQUJKSLKBL-NEPJUHHUSA-N 2 1 263.341 2.197 20 5 CEBDMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414938607 394812121 /nfs/dbraw/zinc/81/21/21/394812121.db2.gz YZOYHZFTDLFZRD-DYEKYZERSA-N 2 1 277.368 2.243 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414942917 394814291 /nfs/dbraw/zinc/81/42/91/394814291.db2.gz DTCYYZWANRUACU-DGCLKSJQSA-N 2 1 263.341 2.133 20 5 CEBDMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414949169 394819047 /nfs/dbraw/zinc/81/90/47/394819047.db2.gz YZOYHZFTDLFZRD-OUCADQQQSA-N 2 1 277.368 2.243 20 5 CEBDMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423459027 394925509 /nfs/dbraw/zinc/92/55/09/394925509.db2.gz HLNLLVGIJMRULD-DGCLKSJQSA-N 2 1 251.330 2.373 20 5 CEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423552413 394950666 /nfs/dbraw/zinc/95/06/66/394950666.db2.gz JXGHDELPFTXKFG-GXTWGEPZSA-N 2 1 277.368 2.258 20 5 CEBDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000268960856 270331012 /nfs/dbraw/zinc/33/10/12/270331012.db2.gz VSYNEYQWQJJVSJ-UKRRQHHQSA-N 2 1 291.395 2.457 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781925 280374218 /nfs/dbraw/zinc/37/42/18/280374218.db2.gz NTCMYRKJLNEGQQ-KBPBESRZSA-N 2 1 289.379 2.416 20 5 CEBDMP Cc1c(C[NH2+]C[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000311750531 627695298 /nfs/dbraw/zinc/69/52/98/627695298.db2.gz COOQXHBQTHRWJQ-NSHDSACASA-N 2 1 265.357 2.191 20 5 CEBDMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902430084 634650995 /nfs/dbraw/zinc/65/09/95/634650995.db2.gz OEYZXAYOYYBSAR-YRGRVCCFSA-N 2 1 277.368 2.428 20 5 CEBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[NH2+]C1 ZINC000903757474 635260573 /nfs/dbraw/zinc/26/05/73/635260573.db2.gz CXPMMLPRVYYONV-CQSZACIVSA-N 2 1 291.395 2.459 20 5 CEBDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000906508332 636759771 /nfs/dbraw/zinc/75/97/71/636759771.db2.gz NFONMSOVRAWVMQ-XYPYZODXSA-N 2 1 287.319 2.434 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923503421 643739236 /nfs/dbraw/zinc/73/92/36/643739236.db2.gz IBMKVEPBGSLQEB-NWDGAFQWSA-N 2 1 263.341 2.012 20 5 CEBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)C[NH3+])c1F ZINC001173177349 815617077 /nfs/dbraw/zinc/61/70/77/815617077.db2.gz SXMQZLUSKPZCTI-SECBINFHSA-N 2 1 299.346 2.000 20 5 CEBDMP C[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000271456241 191148198 /nfs/dbraw/zinc/14/81/98/191148198.db2.gz GSOWRSQSCPMCSS-GXTWGEPZSA-N 2 1 277.368 2.210 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298494713 378744981 /nfs/dbraw/zinc/74/49/81/378744981.db2.gz QDXBPHGDHCOMEE-UHFFFAOYSA-N 2 1 289.379 2.354 20 5 CEBDMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000346993918 218082614 /nfs/dbraw/zinc/08/26/14/218082614.db2.gz AYLTXFNGICCROJ-ZDUSSCGKSA-N 2 1 277.368 2.499 20 5 CEBDMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000346993918 218082615 /nfs/dbraw/zinc/08/26/15/218082615.db2.gz AYLTXFNGICCROJ-ZDUSSCGKSA-N 2 1 277.368 2.499 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000414942920 394814295 /nfs/dbraw/zinc/81/42/95/394814295.db2.gz DTCYYZWANRUACU-YPMHNXCESA-N 2 1 263.341 2.133 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284291521 196022340 /nfs/dbraw/zinc/02/23/40/196022340.db2.gz XXKPNETZAKJNHF-SNVBAGLBSA-N 2 1 289.339 2.033 20 5 CEBDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040622184 174354663 /nfs/dbraw/zinc/35/46/63/174354663.db2.gz KBVKDTABUJOLIR-AWEZNQCLSA-N 2 1 277.368 2.415 20 5 CEBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040622184 174354664 /nfs/dbraw/zinc/35/46/64/174354664.db2.gz KBVKDTABUJOLIR-AWEZNQCLSA-N 2 1 277.368 2.415 20 5 CEBDMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423371941 270905958 /nfs/dbraw/zinc/90/59/58/270905958.db2.gz VODFYEIPMNHUBP-WCQYABFASA-N 2 1 263.341 2.388 20 5 CEBDMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423528524 281062220 /nfs/dbraw/zinc/06/22/20/281062220.db2.gz OLZKFYQBWUBUMJ-LLVKDONJSA-N 2 1 263.341 2.388 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251773845 290251590 /nfs/dbraw/zinc/25/15/90/290251590.db2.gz MOHCUTQHTGMYKD-GYSYKLTISA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251773845 290251591 /nfs/dbraw/zinc/25/15/91/290251591.db2.gz MOHCUTQHTGMYKD-GYSYKLTISA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583941 633034277 /nfs/dbraw/zinc/03/42/77/633034277.db2.gz RNYLMDXKFDUWEZ-GVXVVHGQSA-N 2 1 292.383 2.310 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583941 633034284 /nfs/dbraw/zinc/03/42/84/633034284.db2.gz RNYLMDXKFDUWEZ-GVXVVHGQSA-N 2 1 292.383 2.310 20 5 CEBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957305 633799553 /nfs/dbraw/zinc/79/95/53/633799553.db2.gz AIHXIFRODRRZKI-ZYHUDNBSSA-N 2 1 280.372 2.201 20 5 CEBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957304 633800188 /nfs/dbraw/zinc/80/01/88/633800188.db2.gz AIHXIFRODRRZKI-PWSUYJOCSA-N 2 1 280.372 2.201 20 5 CEBDMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923426645 643704826 /nfs/dbraw/zinc/70/48/26/643704826.db2.gz OZTNBSCNIYWYEK-OAHLLOKOSA-N 2 1 295.383 2.079 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923498102 643741304 /nfs/dbraw/zinc/74/13/04/643741304.db2.gz JDVXHMZLLCAUSF-DGCLKSJQSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923510861 643746488 /nfs/dbraw/zinc/74/64/88/643746488.db2.gz XRZPBLGNWIMVCY-AAEUAGOBSA-N 2 1 263.341 2.012 20 5 CEBDMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968042 811319963 /nfs/dbraw/zinc/31/99/63/811319963.db2.gz VDPUOHFBYQREDD-UONOGXRCSA-N 2 1 271.405 2.143 20 5 CEBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168973989 811322430 /nfs/dbraw/zinc/32/24/30/811322430.db2.gz PVLGKCZAVOHZIM-RBSFLKMASA-N 2 1 283.416 2.286 20 5 CEBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001168997233 811325915 /nfs/dbraw/zinc/32/59/15/811325915.db2.gz YFAIAIMFVXPPGG-JYJNAYRXSA-N 2 1 295.427 2.286 20 5 CEBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001168997233 811325922 /nfs/dbraw/zinc/32/59/22/811325922.db2.gz YFAIAIMFVXPPGG-JYJNAYRXSA-N 2 1 295.427 2.286 20 5 CEBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990331 811339094 /nfs/dbraw/zinc/33/90/94/811339094.db2.gz BRQATMQRGROHOX-IHRRRGAJSA-N 2 1 283.416 2.284 20 5 CEBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990331 811339103 /nfs/dbraw/zinc/33/91/03/811339103.db2.gz BRQATMQRGROHOX-IHRRRGAJSA-N 2 1 283.416 2.284 20 5 CEBDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168989339 811339789 /nfs/dbraw/zinc/33/97/89/811339789.db2.gz WENUWGLZHKUOFM-RYPNDVFKSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168989339 811339798 /nfs/dbraw/zinc/33/97/98/811339798.db2.gz WENUWGLZHKUOFM-RYPNDVFKSA-N 2 1 281.400 2.037 20 5 CEBDMP CC(C)[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169054292 811358563 /nfs/dbraw/zinc/35/85/63/811358563.db2.gz LLIVJFWEGPSBHL-HIFRSBDPSA-N 2 1 283.416 2.236 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1CCC[NH3+] ZINC001173225275 815629295 /nfs/dbraw/zinc/62/92/95/815629295.db2.gz JCFHWQXKYAULSY-GFCCVEGCSA-N 2 1 288.351 2.486 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251915228 344638062 /nfs/dbraw/zinc/63/80/62/344638062.db2.gz YAQZHOSSXLACAI-WCQYABFASA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251915228 344638064 /nfs/dbraw/zinc/63/80/64/344638064.db2.gz YAQZHOSSXLACAI-WCQYABFASA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000603435784 347370274 /nfs/dbraw/zinc/37/02/74/347370274.db2.gz ZFMYWULDRMUKQV-ZWKOPEQDSA-N 2 1 263.341 2.371 20 5 CEBDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000271508101 191182892 /nfs/dbraw/zinc/18/28/92/191182892.db2.gz MVZLMZHBSGTWMG-XJKSGUPXSA-N 2 1 291.395 2.457 20 5 CEBDMP C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000154815457 188163152 /nfs/dbraw/zinc/16/31/52/188163152.db2.gz JSKZZKONDZPJEE-UHFFFAOYSA-N 2 1 277.368 2.368 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000148476852 366581532 /nfs/dbraw/zinc/58/15/32/366581532.db2.gz JDZPEVAFYGWIGV-UHFFFAOYSA-N 2 1 298.346 2.312 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346640312 368747105 /nfs/dbraw/zinc/74/71/05/368747105.db2.gz AYDMQZNIIDULLR-NWDGAFQWSA-N 2 1 263.341 2.072 20 5 CEBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358360260 371032590 /nfs/dbraw/zinc/03/25/90/371032590.db2.gz BNGNZZMGSYJPGY-CABCVRRESA-N 2 1 289.379 2.354 20 5 CEBDMP C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253179334 371499758 /nfs/dbraw/zinc/49/97/58/371499758.db2.gz CSZSRYNSKGFJHM-GXTWGEPZSA-N 2 1 277.368 2.054 20 5 CEBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423259205 377179527 /nfs/dbraw/zinc/17/95/27/377179527.db2.gz DGBQQJQCUWKQBD-GXTWGEPZSA-N 2 1 279.384 2.489 20 5 CEBDMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423313393 377243324 /nfs/dbraw/zinc/24/33/24/377243324.db2.gz FRKSBWZTQIVNES-ZIAGYGMSSA-N 2 1 263.341 2.373 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346825742 218026780 /nfs/dbraw/zinc/02/67/80/218026780.db2.gz GRIBILONLZJFOR-MELADBBJSA-N 2 1 275.352 2.072 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037946 218099914 /nfs/dbraw/zinc/09/99/14/218099914.db2.gz GEMJYPIWPBPIMG-JSGCOSHPSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037946 218099915 /nfs/dbraw/zinc/09/99/15/218099915.db2.gz GEMJYPIWPBPIMG-JSGCOSHPSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266860673 190285090 /nfs/dbraw/zinc/28/50/90/190285090.db2.gz LBLVIVVTICVRDS-NSHDSACASA-N 2 1 274.324 2.451 20 5 CEBDMP C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000311994888 394539501 /nfs/dbraw/zinc/53/95/01/394539501.db2.gz OZYBUFTTYXEWDF-BXUZGUMPSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000311994888 394539505 /nfs/dbraw/zinc/53/95/05/394539505.db2.gz OZYBUFTTYXEWDF-BXUZGUMPSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H](CC[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414892174 394791216 /nfs/dbraw/zinc/79/12/16/394791216.db2.gz WSSVUBPRWLHRLS-MRVPVSSYSA-N 2 1 289.282 2.023 20 5 CEBDMP C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1c[nH+]ccc1N ZINC000423009854 394879973 /nfs/dbraw/zinc/87/99/73/394879973.db2.gz FDSUVEJSSHRBBY-NSHDSACASA-N 2 1 286.335 2.296 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139326 394902310 /nfs/dbraw/zinc/90/23/10/394902310.db2.gz ZLLVJCXCXQGENQ-SMDDNHRTSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139326 394902313 /nfs/dbraw/zinc/90/23/13/394902313.db2.gz ZLLVJCXCXQGENQ-SMDDNHRTSA-N 2 1 277.368 2.320 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408326 173185243 /nfs/dbraw/zinc/18/52/43/173185243.db2.gz ACXRRKIQRJNHPF-ZDUSSCGKSA-N 2 1 275.352 2.169 20 5 CEBDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000268960861 270331044 /nfs/dbraw/zinc/33/10/44/270331044.db2.gz VSYNEYQWQJJVSJ-ZFWWWQNUSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397229093 270352415 /nfs/dbraw/zinc/35/24/15/270352415.db2.gz DRZXJIPKGAAEIK-YRGRVCCFSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000401887837 289289081 /nfs/dbraw/zinc/28/90/81/289289081.db2.gz VDRPBGHFKQRNPW-LLVKDONJSA-N 2 1 274.324 2.222 20 5 CEBDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899869181 633064731 /nfs/dbraw/zinc/06/47/31/633064731.db2.gz BORFGIDUYNPSSB-CQSZACIVSA-N 2 1 291.395 2.427 20 5 CEBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033817 639626585 /nfs/dbraw/zinc/62/65/85/639626585.db2.gz ZRVORHJRDKSERX-JTQLQIEISA-N 2 1 283.759 2.337 20 5 CEBDMP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363630 640405833 /nfs/dbraw/zinc/40/58/33/640405833.db2.gz DVKWRBMFTKJVQC-UHFFFAOYSA-N 2 1 293.342 2.309 20 5 CEBDMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854222518 644015625 /nfs/dbraw/zinc/01/56/25/644015625.db2.gz HRZQFSKHVMBVCX-SNVBAGLBSA-N 2 1 278.356 2.099 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[NH+](C)C ZINC000873007486 649529716 /nfs/dbraw/zinc/52/97/16/649529716.db2.gz RLXINKDUGGOEBO-UHFFFAOYSA-N 2 1 265.357 2.253 20 5 CEBDMP Cc1c(C[NH2+]CC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000697919575 806757715 /nfs/dbraw/zinc/75/77/15/806757715.db2.gz HWJBDQUYRGCIOM-NSHDSACASA-N 2 1 265.357 2.333 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723697858 802925539 /nfs/dbraw/zinc/92/55/39/802925539.db2.gz CXUSQCCHNWTCRS-RYUDHWBXSA-N 2 1 263.341 2.327 20 5 CEBDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168979016 811308402 /nfs/dbraw/zinc/30/84/02/811308402.db2.gz WENUWGLZHKUOFM-ARILJUKYSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001168979016 811308407 /nfs/dbraw/zinc/30/84/07/811308407.db2.gz WENUWGLZHKUOFM-ARILJUKYSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168989340 811339417 /nfs/dbraw/zinc/33/94/17/811339417.db2.gz WENUWGLZHKUOFM-YYFQZIEXSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168989340 811339426 /nfs/dbraw/zinc/33/94/26/811339426.db2.gz WENUWGLZHKUOFM-YYFQZIEXSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168989337 811339573 /nfs/dbraw/zinc/33/95/73/811339573.db2.gz WENUWGLZHKUOFM-AIEDFZFUSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168989337 811339583 /nfs/dbraw/zinc/33/95/83/811339583.db2.gz WENUWGLZHKUOFM-AIEDFZFUSA-N 2 1 281.400 2.037 20 5 CEBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990335 811339913 /nfs/dbraw/zinc/33/99/13/811339913.db2.gz BRQATMQRGROHOX-MJBXVCDLSA-N 2 1 283.416 2.284 20 5 CEBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168990335 811339924 /nfs/dbraw/zinc/33/99/24/811339924.db2.gz BRQATMQRGROHOX-MJBXVCDLSA-N 2 1 283.416 2.284 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427762 345351681 /nfs/dbraw/zinc/35/16/81/345351681.db2.gz ZDQUCQYUOMMTSC-ZIAGYGMSSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427762 345351684 /nfs/dbraw/zinc/35/16/84/345351684.db2.gz ZDQUCQYUOMMTSC-ZIAGYGMSSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123140434 187073612 /nfs/dbraw/zinc/07/36/12/187073612.db2.gz SRCJYJNHPCUSFK-GXTWGEPZSA-N 2 1 277.368 2.210 20 5 CEBDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569138623 299185280 /nfs/dbraw/zinc/18/52/80/299185280.db2.gz OWJVMXWFPKDQEL-AWEZNQCLSA-N 2 1 286.335 2.148 20 5 CEBDMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000153780245 188103900 /nfs/dbraw/zinc/10/39/00/188103900.db2.gz OLJURTHRKFVGFW-CYBMUJFWSA-N 2 1 295.383 2.214 20 5 CEBDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000153780245 188103902 /nfs/dbraw/zinc/10/39/02/188103902.db2.gz OLJURTHRKFVGFW-CYBMUJFWSA-N 2 1 295.383 2.214 20 5 CEBDMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173318169 367896019 /nfs/dbraw/zinc/89/60/19/367896019.db2.gz HJMUBARALYCBCL-CYBMUJFWSA-N 2 1 295.383 2.214 20 5 CEBDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173318169 367896027 /nfs/dbraw/zinc/89/60/27/367896027.db2.gz HJMUBARALYCBCL-CYBMUJFWSA-N 2 1 295.383 2.214 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230049776 189804470 /nfs/dbraw/zinc/80/44/70/189804470.db2.gz GHAAPJFQCYZDLI-LEWSCRJBSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230049776 189804471 /nfs/dbraw/zinc/80/44/71/189804471.db2.gz GHAAPJFQCYZDLI-LEWSCRJBSA-N 2 1 293.342 2.293 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000350047110 369491207 /nfs/dbraw/zinc/49/12/07/369491207.db2.gz HZSMFKIEHRPHOM-JSGCOSHPSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000350047110 369491214 /nfs/dbraw/zinc/49/12/14/369491214.db2.gz HZSMFKIEHRPHOM-JSGCOSHPSA-N 2 1 277.368 2.476 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261652636 371691700 /nfs/dbraw/zinc/69/17/00/371691700.db2.gz DLABRQWVNZBFKL-JHJVBQTASA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261652636 371691707 /nfs/dbraw/zinc/69/17/07/371691707.db2.gz DLABRQWVNZBFKL-JHJVBQTASA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261652634 371692176 /nfs/dbraw/zinc/69/21/76/371692176.db2.gz DLABRQWVNZBFKL-AGIUHOORSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261652634 371692182 /nfs/dbraw/zinc/69/21/82/371692182.db2.gz DLABRQWVNZBFKL-AGIUHOORSA-N 2 1 275.352 2.197 20 5 CEBDMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423276911 377200899 /nfs/dbraw/zinc/20/08/99/377200899.db2.gz NMFBAZABIWPMPL-GJZGRUSLSA-N 2 1 275.352 2.299 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292875134 377327490 /nfs/dbraw/zinc/32/74/90/377327490.db2.gz WWOZRHXUZKUHQD-INIZCTEOSA-N 2 1 289.379 2.431 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292875134 377327493 /nfs/dbraw/zinc/32/74/93/377327493.db2.gz WWOZRHXUZKUHQD-INIZCTEOSA-N 2 1 289.379 2.431 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292875134 377327497 /nfs/dbraw/zinc/32/74/97/377327497.db2.gz WWOZRHXUZKUHQD-INIZCTEOSA-N 2 1 289.379 2.431 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292875134 377327503 /nfs/dbraw/zinc/32/75/03/377327503.db2.gz WWOZRHXUZKUHQD-INIZCTEOSA-N 2 1 289.379 2.431 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346825748 218027419 /nfs/dbraw/zinc/02/74/19/218027419.db2.gz GRIBILONLZJFOR-MJBXVCDLSA-N 2 1 275.352 2.072 20 5 CEBDMP C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000346993803 218083105 /nfs/dbraw/zinc/08/31/05/218083105.db2.gz AVCRZMQZIHLGLR-LJXYTEIVSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000346993803 218083106 /nfs/dbraw/zinc/08/31/06/218083106.db2.gz AVCRZMQZIHLGLR-LJXYTEIVSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[NH2+]C1 ZINC000414861063 394775986 /nfs/dbraw/zinc/77/59/86/394775986.db2.gz DUVNXTNRIUSSMT-JSGCOSHPSA-N 2 1 277.368 2.258 20 5 CEBDMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000414921168 394803550 /nfs/dbraw/zinc/80/35/50/394803550.db2.gz FEIMRQLTVFXQII-UWVGGRQHSA-N 2 1 255.343 2.016 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000414921161 394803706 /nfs/dbraw/zinc/80/37/06/394803706.db2.gz FEIMRQLTVFXQII-NXEZZACHSA-N 2 1 255.343 2.016 20 5 CEBDMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423523937 394945174 /nfs/dbraw/zinc/94/51/74/394945174.db2.gz IZYSRKMOIHHJNO-LLVKDONJSA-N 2 1 263.341 2.388 20 5 CEBDMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1[N+](=O)[O-] ZINC000420321113 395323215 /nfs/dbraw/zinc/32/32/15/395323215.db2.gz QTGXCXSYBZBEAN-LBPRGKRZSA-N 2 1 263.341 2.026 20 5 CEBDMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1[N+](=O)[O-] ZINC000420321112 395324035 /nfs/dbraw/zinc/32/40/35/395324035.db2.gz QTGXCXSYBZBEAN-GFCCVEGCSA-N 2 1 263.341 2.026 20 5 CEBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420371850 395358976 /nfs/dbraw/zinc/35/89/76/395358976.db2.gz PULXZKJTVCTHAM-LALPHHSUSA-N 2 1 277.368 2.113 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449254843 260322489 /nfs/dbraw/zinc/32/24/89/260322489.db2.gz YUCICXOJNYRCDG-CYBMUJFWSA-N 2 1 289.379 2.377 20 5 CEBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000459724556 290218096 /nfs/dbraw/zinc/21/80/96/290218096.db2.gz FEUMLMCFDXRWTQ-NSHDSACASA-N 2 1 283.397 2.478 20 5 CEBDMP C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163827768 524505604 /nfs/dbraw/zinc/50/56/04/524505604.db2.gz CSZSRYNSKGFJHM-OCCSQVGLSA-N 2 1 277.368 2.054 20 5 CEBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357056216 534880037 /nfs/dbraw/zinc/88/00/37/534880037.db2.gz SFJAPQHNCPVZBO-CYBMUJFWSA-N 2 1 295.408 2.478 20 5 CEBDMP C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000057994224 627383337 /nfs/dbraw/zinc/38/33/37/627383337.db2.gz MGRNODOGGFXKPH-CYBMUJFWSA-N 2 1 277.368 2.416 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338761 628822119 /nfs/dbraw/zinc/82/21/19/628822119.db2.gz PVPHLXLUIALNGP-MDZLAQPJSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338761 628822122 /nfs/dbraw/zinc/82/21/22/628822122.db2.gz PVPHLXLUIALNGP-MDZLAQPJSA-N 2 1 263.341 2.325 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261694508 629086100 /nfs/dbraw/zinc/08/61/00/629086100.db2.gz HTAGXOYLAGRENH-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261694508 629086102 /nfs/dbraw/zinc/08/61/02/629086102.db2.gz HTAGXOYLAGRENH-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000904308189 635558250 /nfs/dbraw/zinc/55/82/50/635558250.db2.gz LTCNSHBGEOEKDJ-BJHJDKERSA-N 2 1 275.352 2.297 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923501902 643742580 /nfs/dbraw/zinc/74/25/80/643742580.db2.gz WUHAPOLVXXIPME-MNOVXSKESA-N 2 1 281.331 2.151 20 5 CEBDMP CCC[NH+](CCC)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965638 811317583 /nfs/dbraw/zinc/31/75/83/811317583.db2.gz BKUCHYGECGZKDT-KGLIPLIRSA-N 2 1 271.405 2.143 20 5 CEBDMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169003585 811330714 /nfs/dbraw/zinc/33/07/14/811330714.db2.gz OKSMYBWSMQGUCQ-KKUMJFAQSA-N 2 1 283.416 2.273 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001173224824 815629164 /nfs/dbraw/zinc/62/91/64/815629164.db2.gz HBSBATUUNXUTPL-WOSRLPQWSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001173224824 815629165 /nfs/dbraw/zinc/62/91/65/815629165.db2.gz HBSBATUUNXUTPL-WOSRLPQWSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592437172 345353309 /nfs/dbraw/zinc/35/33/09/345353309.db2.gz BHSVFUNTPFNTAR-BDAKNGLRSA-N 2 1 271.748 2.464 20 5 CEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000596364801 346008188 /nfs/dbraw/zinc/00/81/88/346008188.db2.gz SCOLBWSXETXDLQ-ZDUSSCGKSA-N 2 1 294.399 2.279 20 5 CEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccccc1[N+](=O)[O-] ZINC000596364801 346008190 /nfs/dbraw/zinc/00/81/90/346008190.db2.gz SCOLBWSXETXDLQ-ZDUSSCGKSA-N 2 1 294.399 2.279 20 5 CEBDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105480635 186058960 /nfs/dbraw/zinc/05/89/60/186058960.db2.gz MWVNKGJQDDBWAQ-FZMZJTMJSA-N 2 1 263.341 2.025 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105480635 186058962 /nfs/dbraw/zinc/05/89/62/186058962.db2.gz MWVNKGJQDDBWAQ-FZMZJTMJSA-N 2 1 263.341 2.025 20 5 CEBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346641286 368746811 /nfs/dbraw/zinc/74/68/11/368746811.db2.gz BLACDKLDSAETDU-FSMZVQOTSA-N 2 1 275.352 2.277 20 5 CEBDMP CC(C)[C@@H]([NH3+])C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414795131 375977915 /nfs/dbraw/zinc/97/79/15/375977915.db2.gz MQLIFDHMICEBNZ-IYNGYCSASA-N 2 1 263.341 2.181 20 5 CEBDMP C[C@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430921085 377565235 /nfs/dbraw/zinc/56/52/35/377565235.db2.gz RRYNZAMQHFWXFD-JTQLQIEISA-N 2 1 281.331 2.293 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312659498 249374309 /nfs/dbraw/zinc/37/43/09/249374309.db2.gz GRKCDNSETKCWAB-BETUJISGSA-N 2 1 275.352 2.026 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347071466 218111796 /nfs/dbraw/zinc/11/17/96/218111796.db2.gz QDQBQSMQJIFPON-GFCCVEGCSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000580782060 322344147 /nfs/dbraw/zinc/34/41/47/322344147.db2.gz SDOVGRLXBZICCY-DGCLKSJQSA-N 2 1 263.341 2.215 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000414885567 285161948 /nfs/dbraw/zinc/16/19/48/285161948.db2.gz PGMDGDXECKLAAB-AEGPPILISA-N 2 1 289.379 2.258 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000414885569 394787948 /nfs/dbraw/zinc/78/79/48/394787948.db2.gz PGMDGDXECKLAAB-CFVMTHIKSA-N 2 1 289.379 2.258 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414972124 394832868 /nfs/dbraw/zinc/83/28/68/394832868.db2.gz MBQDUPWXOXTKJJ-CQSZACIVSA-N 2 1 277.368 2.381 20 5 CEBDMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423459029 394925623 /nfs/dbraw/zinc/92/56/23/394925623.db2.gz HLNLLVGIJMRULD-YPMHNXCESA-N 2 1 251.330 2.373 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397229090 270352250 /nfs/dbraw/zinc/35/22/50/270352250.db2.gz DRZXJIPKGAAEIK-MBNYWOFBSA-N 2 1 277.368 2.400 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000430570954 271393250 /nfs/dbraw/zinc/39/32/50/271393250.db2.gz NFLPSLWOJFFJAZ-CYBMUJFWSA-N 2 1 295.383 2.279 20 5 CEBDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422916926 280963877 /nfs/dbraw/zinc/96/38/77/280963877.db2.gz BXTBTJQPPBSYHH-MNOVXSKESA-N 2 1 263.341 2.162 20 5 CEBDMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422946833 280976318 /nfs/dbraw/zinc/97/63/18/280976318.db2.gz PJGJKVFGAAOSOH-STQMWFEESA-N 2 1 293.367 2.353 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000580782060 322344145 /nfs/dbraw/zinc/34/41/45/322344145.db2.gz SDOVGRLXBZICCY-DGCLKSJQSA-N 2 1 263.341 2.215 20 5 CEBDMP CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000584226077 327068471 /nfs/dbraw/zinc/06/84/71/327068471.db2.gz JWWQAVXTQBUGOB-CABCVRRESA-N 2 1 293.367 2.094 20 5 CEBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420857 635633488 /nfs/dbraw/zinc/63/34/88/635633488.db2.gz IPVJGFZDPIBGHM-QWZUFBECSA-N 2 1 287.363 2.149 20 5 CEBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420857 635633492 /nfs/dbraw/zinc/63/34/92/635633492.db2.gz IPVJGFZDPIBGHM-QWZUFBECSA-N 2 1 287.363 2.149 20 5 CEBDMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841064488 632380928 /nfs/dbraw/zinc/38/09/28/632380928.db2.gz RDCOXVGXLSPNDU-SKDRFNHKSA-N 2 1 283.759 2.336 20 5 CEBDMP CC1CC[NH+](Cc2cccc(C[NH2+]CC[N+](=O)[O-])c2)CC1 ZINC000905089960 635802627 /nfs/dbraw/zinc/80/26/27/635802627.db2.gz QAQSOZGEMIZRGH-UHFFFAOYSA-N 2 1 291.395 2.285 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000883441358 652471346 /nfs/dbraw/zinc/47/13/46/652471346.db2.gz MFFVGHKPHAYZTL-STQMWFEESA-N 2 1 263.341 2.119 20 5 CEBDMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967349 811319035 /nfs/dbraw/zinc/31/90/35/811319035.db2.gz OYPVJUFISWDSPN-UONOGXRCSA-N 2 1 271.405 2.143 20 5 CEBDMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967349 811319042 /nfs/dbraw/zinc/31/90/42/811319042.db2.gz OYPVJUFISWDSPN-UONOGXRCSA-N 2 1 271.405 2.143 20 5 CEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1 ZINC000596361696 346007745 /nfs/dbraw/zinc/00/77/45/346007745.db2.gz BJWCLVBPVFAGAV-ZDUSSCGKSA-N 2 1 294.399 2.279 20 5 CEBDMP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600712338 346676027 /nfs/dbraw/zinc/67/60/27/346676027.db2.gz WWVNCMZQAZHUEE-AWEZNQCLSA-N 2 1 293.367 2.143 20 5 CEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000615834544 348396829 /nfs/dbraw/zinc/39/68/29/348396829.db2.gz KCOHFIJLJNKJQI-YEKRNXETSA-N 2 1 287.363 2.149 20 5 CEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000615834544 348396830 /nfs/dbraw/zinc/39/68/30/348396830.db2.gz KCOHFIJLJNKJQI-YEKRNXETSA-N 2 1 287.363 2.149 20 5 CEBDMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000110645342 186309319 /nfs/dbraw/zinc/30/93/19/186309319.db2.gz SODKLEBTBGHFGE-SECBINFHSA-N 2 1 269.370 2.216 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291722858 198070077 /nfs/dbraw/zinc/07/00/77/198070077.db2.gz MVYXEANQKAEAQC-LLVKDONJSA-N 2 1 265.357 2.191 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570344273 299254937 /nfs/dbraw/zinc/25/49/37/299254937.db2.gz QXLPDDKTNDCEKE-CQSZACIVSA-N 2 1 286.335 2.377 20 5 CEBDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000570528033 299263339 /nfs/dbraw/zinc/26/33/39/299263339.db2.gz YVHZVXGUVXXAJK-OAHLLOKOSA-N 2 1 287.363 2.434 20 5 CEBDMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298032029 200320174 /nfs/dbraw/zinc/32/01/74/200320174.db2.gz GCFDRJNXDQJDBH-UHFFFAOYSA-N 2 1 288.351 2.396 20 5 CEBDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020043103 361574695 /nfs/dbraw/zinc/57/46/95/361574695.db2.gz SPASYUWUSRJOAG-UHFFFAOYSA-N 2 1 265.357 2.272 20 5 CEBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000093874449 364238725 /nfs/dbraw/zinc/23/87/25/364238725.db2.gz MOOFPSCIKVOSIR-UHFFFAOYSA-N 2 1 265.357 2.054 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245926471 370889070 /nfs/dbraw/zinc/88/90/70/370889070.db2.gz IRHPJKVCTTXPEY-HOCLYGCPSA-N 2 1 289.379 2.354 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346635706 368743952 /nfs/dbraw/zinc/74/39/52/368743952.db2.gz HMXKGERWUOJJKT-AAEUAGOBSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346695192 368777363 /nfs/dbraw/zinc/77/73/63/368777363.db2.gz YUFZNHNVLQDLKM-WCQYABFASA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000346695192 368777369 /nfs/dbraw/zinc/77/73/69/368777369.db2.gz YUFZNHNVLQDLKM-WCQYABFASA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000229920214 370435020 /nfs/dbraw/zinc/43/50/20/370435020.db2.gz YYFGERHUHOWCTI-SMDDNHRTSA-N 2 1 277.368 2.333 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000229920214 370435025 /nfs/dbraw/zinc/43/50/25/370435025.db2.gz YYFGERHUHOWCTI-SMDDNHRTSA-N 2 1 277.368 2.333 20 5 CEBDMP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253187939 371501025 /nfs/dbraw/zinc/50/10/25/371501025.db2.gz JNFHSTYBIPYQCE-WCQYABFASA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253187939 371501028 /nfs/dbraw/zinc/50/10/28/371501028.db2.gz JNFHSTYBIPYQCE-WCQYABFASA-N 2 1 263.341 2.012 20 5 CEBDMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414805239 375991842 /nfs/dbraw/zinc/99/18/42/375991842.db2.gz PKPKCUDIBLSYII-GHMZBOCLSA-N 2 1 269.370 2.263 20 5 CEBDMP C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293872210 377797778 /nfs/dbraw/zinc/79/77/78/377797778.db2.gz YGWURPHETMENFV-VXGBXAGGSA-N 2 1 265.357 2.443 20 5 CEBDMP C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293872201 377798927 /nfs/dbraw/zinc/79/89/27/377798927.db2.gz YGWURPHETMENFV-NEPJUHHUSA-N 2 1 265.357 2.443 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347213300 218157486 /nfs/dbraw/zinc/15/74/86/218157486.db2.gz PLOSFWRDVJISJA-TZMCWYRMSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217526409 394454369 /nfs/dbraw/zinc/45/43/69/394454369.db2.gz PYQSDVHICXZYPW-NEPJUHHUSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217526409 394454372 /nfs/dbraw/zinc/45/43/72/394454372.db2.gz PYQSDVHICXZYPW-NEPJUHHUSA-N 2 1 263.341 2.327 20 5 CEBDMP [NH3+]C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000414845658 394766921 /nfs/dbraw/zinc/76/69/21/394766921.db2.gz RHPKVCRZUZUTHF-UHFFFAOYSA-N 2 1 263.341 2.346 20 5 CEBDMP C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414910998 394801295 /nfs/dbraw/zinc/80/12/95/394801295.db2.gz SZJJFFCJOXUAQQ-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414931555 394808170 /nfs/dbraw/zinc/80/81/70/394808170.db2.gz USKPHKPVSIJILM-MNOVXSKESA-N 2 1 267.304 2.093 20 5 CEBDMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423362227 394901355 /nfs/dbraw/zinc/90/13/55/394901355.db2.gz MYHGHRBICZFGFI-WCQYABFASA-N 2 1 263.341 2.388 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415139550 394902520 /nfs/dbraw/zinc/90/25/20/394902520.db2.gz ZVPVZTSBGFQGPT-RISCZKNCSA-N 2 1 277.368 2.320 20 5 CEBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000346832279 395109216 /nfs/dbraw/zinc/10/92/16/395109216.db2.gz YYEPAYCRZQRXBP-SYLFXCMISA-N 2 1 287.363 2.277 20 5 CEBDMP C[C@]1(C[NH3+])CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000566230417 395507009 /nfs/dbraw/zinc/50/70/09/395507009.db2.gz QEUGUAHZNRDFNM-ZDTYVGOBSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@]1(C[NH3+])CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000566230417 395507012 /nfs/dbraw/zinc/50/70/12/395507012.db2.gz QEUGUAHZNRDFNM-ZDTYVGOBSA-N 2 1 275.352 2.279 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000226873513 153337495 /nfs/dbraw/zinc/33/74/95/153337495.db2.gz KYMAFDRWULCWTF-SMDDNHRTSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000226873513 153337499 /nfs/dbraw/zinc/33/74/99/153337499.db2.gz KYMAFDRWULCWTF-SMDDNHRTSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000226873513 153337505 /nfs/dbraw/zinc/33/75/05/153337505.db2.gz KYMAFDRWULCWTF-SMDDNHRTSA-N 2 1 277.368 2.476 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397271513 270352200 /nfs/dbraw/zinc/35/22/00/270352200.db2.gz XKUZRQYWLGZADI-BZPMIXESSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397271513 270352201 /nfs/dbraw/zinc/35/22/01/270352201.db2.gz XKUZRQYWLGZADI-BZPMIXESSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000158253776 289231076 /nfs/dbraw/zinc/23/10/76/289231076.db2.gz MZBLVEYWPKEVLY-STQMWFEESA-N 2 1 293.367 2.046 20 5 CEBDMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000158253776 289231077 /nfs/dbraw/zinc/23/10/77/289231077.db2.gz MZBLVEYWPKEVLY-STQMWFEESA-N 2 1 293.367 2.046 20 5 CEBDMP Cc1c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000044536577 628596276 /nfs/dbraw/zinc/59/62/76/628596276.db2.gz UXRPHQGBHBRDLK-CYBMUJFWSA-N 2 1 277.368 2.335 20 5 CEBDMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000044536577 628596280 /nfs/dbraw/zinc/59/62/80/628596280.db2.gz UXRPHQGBHBRDLK-CYBMUJFWSA-N 2 1 277.368 2.335 20 5 CEBDMP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633626 629257418 /nfs/dbraw/zinc/25/74/18/629257418.db2.gz YPUJLYZHMRWHET-UHFFFAOYSA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841064130 639639795 /nfs/dbraw/zinc/63/97/95/639639795.db2.gz YXVVRUGMVGHCHM-GXSJLCMTSA-N 2 1 283.759 2.478 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000883441356 652471312 /nfs/dbraw/zinc/47/13/12/652471312.db2.gz MFFVGHKPHAYZTL-OLZOCXBDSA-N 2 1 263.341 2.119 20 5 CEBDMP CC[N+](C)(C)Cc1ccccc1N[C@H]1CC[N@@H+](C)C1 ZINC001167278803 802626703 /nfs/dbraw/zinc/62/67/03/802626703.db2.gz SQRGNODRCUUNRL-HNNXBMFYSA-N 2 1 262.421 2.399 20 5 CEBDMP CCCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967348 811318802 /nfs/dbraw/zinc/31/88/02/811318802.db2.gz OYPVJUFISWDSPN-KGLIPLIRSA-N 2 1 271.405 2.143 20 5 CEBDMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967348 811318811 /nfs/dbraw/zinc/31/88/11/811318811.db2.gz OYPVJUFISWDSPN-KGLIPLIRSA-N 2 1 271.405 2.143 20 5 CEBDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044534320 343474344 /nfs/dbraw/zinc/47/43/44/343474344.db2.gz LJIHDUGAIMPUQY-CYBMUJFWSA-N 2 1 263.341 2.026 20 5 CEBDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044534320 343474345 /nfs/dbraw/zinc/47/43/45/343474345.db2.gz LJIHDUGAIMPUQY-CYBMUJFWSA-N 2 1 263.341 2.026 20 5 CEBDMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000090909849 344145801 /nfs/dbraw/zinc/14/58/01/344145801.db2.gz MVZLMZHBSGTWMG-CJNGLKHVSA-N 2 1 291.395 2.457 20 5 CEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000313052085 344741074 /nfs/dbraw/zinc/74/10/74/344741074.db2.gz SNLLMWDVVAQIPZ-ZFWWWQNUSA-N 2 1 275.352 2.156 20 5 CEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000313052085 344741078 /nfs/dbraw/zinc/74/10/78/344741078.db2.gz SNLLMWDVVAQIPZ-ZFWWWQNUSA-N 2 1 275.352 2.156 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600681430 346672877 /nfs/dbraw/zinc/67/28/77/346672877.db2.gz HQRCQXQUBQEMKH-MBNYWOFBSA-N 2 1 277.368 2.256 20 5 CEBDMP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601108552 346755019 /nfs/dbraw/zinc/75/50/19/346755019.db2.gz IVCWJLRBHJVVLJ-NSHDSACASA-N 2 1 288.351 2.317 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000611515359 347789613 /nfs/dbraw/zinc/78/96/13/347789613.db2.gz PPJZNDMWDXBPDT-YNEHKIRRSA-N 2 1 275.352 2.115 20 5 CEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000615834527 348396479 /nfs/dbraw/zinc/39/64/79/348396479.db2.gz KCOHFIJLJNKJQI-QDPHKQGLSA-N 2 1 287.363 2.149 20 5 CEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000615834527 348396483 /nfs/dbraw/zinc/39/64/83/348396483.db2.gz KCOHFIJLJNKJQI-QDPHKQGLSA-N 2 1 287.363 2.149 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846888 180270150 /nfs/dbraw/zinc/27/01/50/180270150.db2.gz KFPGSJLHXWHLGG-UHFFFAOYSA-N 2 1 293.367 2.305 20 5 CEBDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173362360 367902451 /nfs/dbraw/zinc/90/24/51/367902451.db2.gz LAVJXZSVMBTOOJ-DOMZBBRYSA-N 2 1 277.368 2.415 20 5 CEBDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173362360 367902458 /nfs/dbraw/zinc/90/24/58/367902458.db2.gz LAVJXZSVMBTOOJ-DOMZBBRYSA-N 2 1 277.368 2.415 20 5 CEBDMP O=[N+]([O-])c1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668006 371464460 /nfs/dbraw/zinc/46/44/60/371464460.db2.gz QWQORTSNXLVUHI-KGLIPLIRSA-N 2 1 275.352 2.311 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261647533 371690351 /nfs/dbraw/zinc/69/03/51/371690351.db2.gz XRBISZYPFJJZFS-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261647533 371690361 /nfs/dbraw/zinc/69/03/61/371690361.db2.gz XRBISZYPFJJZFS-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268932133 372292953 /nfs/dbraw/zinc/29/29/53/372292953.db2.gz NBJPTISNOZWHDA-UMVBOHGHSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414680516 375915015 /nfs/dbraw/zinc/91/50/15/375915015.db2.gz UMAWKFQJPWEVEE-QWHCGFSZSA-N 2 1 277.368 2.415 20 5 CEBDMP C[C@@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430921086 377565325 /nfs/dbraw/zinc/56/53/25/377565325.db2.gz RRYNZAMQHFWXFD-SNVBAGLBSA-N 2 1 281.331 2.293 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293794231 377762230 /nfs/dbraw/zinc/76/22/30/377762230.db2.gz QSGGQHJRBNXKGG-RYUDHWBXSA-N 2 1 292.383 2.169 20 5 CEBDMP CC(C)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000346993915 218082654 /nfs/dbraw/zinc/08/26/54/218082654.db2.gz AYLTXFNGICCROJ-CYBMUJFWSA-N 2 1 277.368 2.499 20 5 CEBDMP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000346993915 218082655 /nfs/dbraw/zinc/08/26/55/218082655.db2.gz AYLTXFNGICCROJ-CYBMUJFWSA-N 2 1 277.368 2.499 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347213292 218158654 /nfs/dbraw/zinc/15/86/54/218158654.db2.gz PLOSFWRDVJISJA-GXTWGEPZSA-N 2 1 277.368 2.462 20 5 CEBDMP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000414833340 394759956 /nfs/dbraw/zinc/75/99/56/394759956.db2.gz AIBBSCWXXYCAKJ-UHFFFAOYSA-N 2 1 263.341 2.346 20 5 CEBDMP C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC[NH2+]C1 ZINC000414896643 394793775 /nfs/dbraw/zinc/79/37/75/394793775.db2.gz CJYJQXNLIBYTSA-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420302932 395307801 /nfs/dbraw/zinc/30/78/01/395307801.db2.gz MTSQQDVYKVZJJF-ZDUSSCGKSA-N 2 1 289.379 2.343 20 5 CEBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420371852 395358541 /nfs/dbraw/zinc/35/85/41/395358541.db2.gz PULXZKJTVCTHAM-TYNCELHUSA-N 2 1 277.368 2.113 20 5 CEBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420371849 395359067 /nfs/dbraw/zinc/35/90/67/395359067.db2.gz PULXZKJTVCTHAM-JMSVASOKSA-N 2 1 277.368 2.113 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000262000729 624207549 /nfs/dbraw/zinc/20/75/49/624207549.db2.gz LFSCSUZNTQRPQA-UHFFFAOYSA-N 2 1 289.379 2.479 20 5 CEBDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906878 633766531 /nfs/dbraw/zinc/76/65/31/633766531.db2.gz FZDCYHRFDOQCQY-DTWKUNHWSA-N 2 1 271.748 2.464 20 5 CEBDMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000903882334 635324600 /nfs/dbraw/zinc/32/46/00/635324600.db2.gz LUQBUXDOUDTWNP-WCQYABFASA-N 2 1 275.352 2.080 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000070149634 641637198 /nfs/dbraw/zinc/63/71/98/641637198.db2.gz RUVZGGCHAKQMKT-AWEZNQCLSA-N 2 1 277.368 2.341 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923510865 643746333 /nfs/dbraw/zinc/74/63/33/643746333.db2.gz XRZPBLGNWIMVCY-WCQYABFASA-N 2 1 263.341 2.012 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215671 815623826 /nfs/dbraw/zinc/62/38/26/815623826.db2.gz YFROIFCKEIVPEX-LBPRGKRZSA-N 2 1 288.351 2.321 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592424400 345351634 /nfs/dbraw/zinc/35/16/34/345351634.db2.gz OMHFTSMCVUPQLN-UHFFFAOYSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592424400 345351637 /nfs/dbraw/zinc/35/16/37/345351637.db2.gz OMHFTSMCVUPQLN-UHFFFAOYSA-N 2 1 275.352 2.311 20 5 CEBDMP Cc1c(C[NH+]2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000592485741 345359271 /nfs/dbraw/zinc/35/92/71/345359271.db2.gz XBFNJOIPOLCKPK-UHFFFAOYSA-N 2 1 263.341 2.216 20 5 CEBDMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000071142375 363108439 /nfs/dbraw/zinc/10/84/39/363108439.db2.gz HEGGASQFDLVFGO-NWDGAFQWSA-N 2 1 263.341 2.197 20 5 CEBDMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000071142375 363108450 /nfs/dbraw/zinc/10/84/50/363108450.db2.gz HEGGASQFDLVFGO-NWDGAFQWSA-N 2 1 263.341 2.197 20 5 CEBDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569138624 299185501 /nfs/dbraw/zinc/18/55/01/299185501.db2.gz OWJVMXWFPKDQEL-CQSZACIVSA-N 2 1 286.335 2.148 20 5 CEBDMP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000156596257 188270785 /nfs/dbraw/zinc/27/07/85/188270785.db2.gz SNIMZCQIBKOJDW-JSGCOSHPSA-N 2 1 277.368 2.210 20 5 CEBDMP C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000386129303 375253195 /nfs/dbraw/zinc/25/31/95/375253195.db2.gz OGZSUTBPDFHFKR-IUODEOHRSA-N 2 1 277.368 2.258 20 5 CEBDMP C[C@H]1C[C@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414771117 375961322 /nfs/dbraw/zinc/96/13/22/375961322.db2.gz ZDJJIAHUZKYTQL-DZGCQCFKSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414680517 375915304 /nfs/dbraw/zinc/91/53/04/375915304.db2.gz UMAWKFQJPWEVEE-STQMWFEESA-N 2 1 277.368 2.415 20 5 CEBDMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267012 377183867 /nfs/dbraw/zinc/18/38/67/377183867.db2.gz DOIGTKQCANKYLS-GHMZBOCLSA-N 2 1 251.330 2.101 20 5 CEBDMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267016 377184599 /nfs/dbraw/zinc/18/45/99/377184599.db2.gz DOIGTKQCANKYLS-QWRGUYRKSA-N 2 1 251.330 2.101 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261622394 394604099 /nfs/dbraw/zinc/60/40/99/394604099.db2.gz UUXZFLMXAIOQSM-MJVIPROJSA-N 2 1 263.341 2.243 20 5 CEBDMP C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000422778592 394777359 /nfs/dbraw/zinc/77/73/59/394777359.db2.gz ATVSHZVMSUQOCE-JSGCOSHPSA-N 2 1 277.368 2.258 20 5 CEBDMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414865147 394777967 /nfs/dbraw/zinc/77/79/67/394777967.db2.gz YYQUVDPMZMDRQD-WCQYABFASA-N 2 1 293.367 2.081 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414931550 394808906 /nfs/dbraw/zinc/80/89/06/394808906.db2.gz USKPHKPVSIJILM-GHMZBOCLSA-N 2 1 267.304 2.093 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414943964 394815403 /nfs/dbraw/zinc/81/54/03/394815403.db2.gz FZXLZELWRMJHJO-AAEUAGOBSA-N 2 1 263.341 2.133 20 5 CEBDMP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423339167 394890605 /nfs/dbraw/zinc/89/06/05/394890605.db2.gz ZHONLOPBQDSKDX-GWCFXTLKSA-N 2 1 263.341 2.291 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217513770 153296544 /nfs/dbraw/zinc/29/65/44/153296544.db2.gz AKJHOQJTLMCUTG-RYUDHWBXSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217513770 153296545 /nfs/dbraw/zinc/29/65/45/153296545.db2.gz AKJHOQJTLMCUTG-RYUDHWBXSA-N 2 1 263.341 2.327 20 5 CEBDMP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000071142006 176040275 /nfs/dbraw/zinc/04/02/75/176040275.db2.gz DOODWQUJKSLKBL-VXGBXAGGSA-N 2 1 263.341 2.197 20 5 CEBDMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000071142006 176040276 /nfs/dbraw/zinc/04/02/76/176040276.db2.gz DOODWQUJKSLKBL-VXGBXAGGSA-N 2 1 263.341 2.197 20 5 CEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000430564916 271390300 /nfs/dbraw/zinc/39/03/00/271390300.db2.gz DIIUFOIWPGAAHX-HNNXBMFYSA-N 2 1 295.383 2.279 20 5 CEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000054602344 527145382 /nfs/dbraw/zinc/14/53/82/527145382.db2.gz AMTMMBHRYOYAGF-VHRNVKJDSA-N 2 1 289.379 2.482 20 5 CEBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000894392237 629425080 /nfs/dbraw/zinc/42/50/80/629425080.db2.gz ZIRXHHPZWXPBRJ-UHFFFAOYSA-N 2 1 291.395 2.411 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469443 635141331 /nfs/dbraw/zinc/14/13/31/635141331.db2.gz VBOQWKYWTNTYHM-AWEZNQCLSA-N 2 1 275.352 2.012 20 5 CEBDMP [NH3+]C1CC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000906509500 636760875 /nfs/dbraw/zinc/76/08/75/636760875.db2.gz GNCUZCDPVKMNKN-UHFFFAOYSA-N 2 1 287.319 2.434 20 5 CEBDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841064131 639639098 /nfs/dbraw/zinc/63/90/98/639639098.db2.gz YXVVRUGMVGHCHM-KOLCDFICSA-N 2 1 283.759 2.478 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000841090180 639653046 /nfs/dbraw/zinc/65/30/46/639653046.db2.gz MGJRMICHGPARQW-UHFFFAOYSA-N 2 1 283.759 2.480 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515934 643747634 /nfs/dbraw/zinc/74/76/34/643747634.db2.gz ONSFDRQBXUSGPK-JHJVBQTASA-N 2 1 277.368 2.491 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699057 802926291 /nfs/dbraw/zinc/92/62/91/802926291.db2.gz MLNBLJFPENNQPO-VXGBXAGGSA-N 2 1 263.341 2.327 20 5 CEBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655337 361919421 /nfs/dbraw/zinc/91/94/21/361919421.db2.gz CFSPGFGBNONKEZ-CYBMUJFWSA-N 2 1 263.341 2.026 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000037655337 361919427 /nfs/dbraw/zinc/91/94/27/361919427.db2.gz CFSPGFGBNONKEZ-CYBMUJFWSA-N 2 1 263.341 2.026 20 5 CEBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000069754234 343790720 /nfs/dbraw/zinc/79/07/20/343790720.db2.gz UVCKZPCRAGMOLE-UHFFFAOYSA-N 2 1 274.324 2.280 20 5 CEBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090909830 344145942 /nfs/dbraw/zinc/14/59/42/344145942.db2.gz BNGNZZMGSYJPGY-HUUCEWRRSA-N 2 1 289.379 2.354 20 5 CEBDMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000600709628 346675269 /nfs/dbraw/zinc/67/52/69/346675269.db2.gz OQRBIOGJGZDTOR-GFCCVEGCSA-N 2 1 293.367 2.062 20 5 CEBDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667127 347132362 /nfs/dbraw/zinc/13/23/62/347132362.db2.gz NTKUDPPGPWINCH-XJKSGUPXSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667127 347132363 /nfs/dbraw/zinc/13/23/63/347132363.db2.gz NTKUDPPGPWINCH-XJKSGUPXSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667127 347132364 /nfs/dbraw/zinc/13/23/64/347132364.db2.gz NTKUDPPGPWINCH-XJKSGUPXSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667127 347132365 /nfs/dbraw/zinc/13/23/65/347132365.db2.gz NTKUDPPGPWINCH-XJKSGUPXSA-N 2 1 291.395 2.409 20 5 CEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000615834540 348396815 /nfs/dbraw/zinc/39/68/15/348396815.db2.gz KCOHFIJLJNKJQI-QVNLUAMLSA-N 2 1 287.363 2.149 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070074642 363027006 /nfs/dbraw/zinc/02/70/06/363027006.db2.gz RDDWWRRFILQILX-JSGCOSHPSA-N 2 1 277.368 2.197 20 5 CEBDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000156596130 188271416 /nfs/dbraw/zinc/27/14/16/188271416.db2.gz SNIMZCQIBKOJDW-OCCSQVGLSA-N 2 1 277.368 2.210 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163241446 367226161 /nfs/dbraw/zinc/22/61/61/367226161.db2.gz ADDLPNMUNPAWNF-YPMHNXCESA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346687093 368769968 /nfs/dbraw/zinc/76/99/68/368769968.db2.gz VHJZZPLNPMAIKR-UHFFFAOYSA-N 2 1 265.357 2.320 20 5 CEBDMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423288880 377219711 /nfs/dbraw/zinc/21/97/11/377219711.db2.gz VNTLWQZLDXRKHT-GFCCVEGCSA-N 2 1 251.330 2.373 20 5 CEBDMP CCC[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423308762 377237254 /nfs/dbraw/zinc/23/72/54/377237254.db2.gz YHMGZBPFEVKTOB-CQSZACIVSA-N 2 1 263.341 2.245 20 5 CEBDMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000423332831 377262774 /nfs/dbraw/zinc/26/27/74/377262774.db2.gz RGCAWODVSMLXBZ-LLVKDONJSA-N 2 1 263.341 2.435 20 5 CEBDMP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423332333 377263390 /nfs/dbraw/zinc/26/33/90/377263390.db2.gz UZGFHGAFLVDUJQ-HUUCEWRRSA-N 2 1 275.352 2.299 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435435525 395367773 /nfs/dbraw/zinc/36/77/73/395367773.db2.gz BQBDUVSWSREBPW-CQSZACIVSA-N 2 1 277.368 2.477 20 5 CEBDMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176981 173010964 /nfs/dbraw/zinc/01/09/64/173010964.db2.gz HYDHHTIGOYEVMF-NSHDSACASA-N 2 1 251.330 2.197 20 5 CEBDMP C[NH+]1CCC(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000892052127 624279073 /nfs/dbraw/zinc/27/90/73/624279073.db2.gz KWGHUCUTQLIMBV-UHFFFAOYSA-N 2 1 289.379 2.295 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230049765 629147277 /nfs/dbraw/zinc/14/72/77/629147277.db2.gz GHAAPJFQCYZDLI-DDTOSNHZSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000230049765 629147278 /nfs/dbraw/zinc/14/72/78/629147278.db2.gz GHAAPJFQCYZDLI-DDTOSNHZSA-N 2 1 293.342 2.293 20 5 CEBDMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000903454600 635137876 /nfs/dbraw/zinc/13/78/76/635137876.db2.gz DUNJZEPYRVNQAA-OCCSQVGLSA-N 2 1 289.379 2.415 20 5 CEBDMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000903454600 635137880 /nfs/dbraw/zinc/13/78/80/635137880.db2.gz DUNJZEPYRVNQAA-OCCSQVGLSA-N 2 1 289.379 2.415 20 5 CEBDMP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000044536575 639322771 /nfs/dbraw/zinc/32/27/71/639322771.db2.gz UXRPHQGBHBRDLK-ZDUSSCGKSA-N 2 1 277.368 2.335 20 5 CEBDMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000044536575 639322773 /nfs/dbraw/zinc/32/27/73/639322773.db2.gz UXRPHQGBHBRDLK-ZDUSSCGKSA-N 2 1 277.368 2.335 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000841057035 639634542 /nfs/dbraw/zinc/63/45/42/639634542.db2.gz ASDMRPDELOLTGO-LLVKDONJSA-N 2 1 283.759 2.480 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723886234 802964469 /nfs/dbraw/zinc/96/44/69/802964469.db2.gz IGXDBDSIVDJEBF-GHMZBOCLSA-N 2 1 281.331 2.151 20 5 CEBDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168979017 811308620 /nfs/dbraw/zinc/30/86/20/811308620.db2.gz WENUWGLZHKUOFM-LXFSFDBISA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168979017 811308633 /nfs/dbraw/zinc/30/86/33/811308633.db2.gz WENUWGLZHKUOFM-LXFSFDBISA-N 2 1 281.400 2.037 20 5 CEBDMP CCC[NH+](CCC)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965639 811317758 /nfs/dbraw/zinc/31/77/58/811317758.db2.gz BKUCHYGECGZKDT-UONOGXRCSA-N 2 1 271.405 2.143 20 5 CEBDMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900344 815539245 /nfs/dbraw/zinc/53/92/45/815539245.db2.gz SMZKUNABBMJUEU-LSDHHAIUSA-N 2 1 289.379 2.265 20 5 CEBDMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900344 815539251 /nfs/dbraw/zinc/53/92/51/815539251.db2.gz SMZKUNABBMJUEU-LSDHHAIUSA-N 2 1 289.379 2.265 20 5 CEBDMP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902451 815540971 /nfs/dbraw/zinc/54/09/71/815540971.db2.gz YOSXHOMIERBWAX-HOCLYGCPSA-N 2 1 289.379 2.265 20 5 CEBDMP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902451 815540974 /nfs/dbraw/zinc/54/09/74/815540974.db2.gz YOSXHOMIERBWAX-HOCLYGCPSA-N 2 1 289.379 2.265 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215666 815623173 /nfs/dbraw/zinc/62/31/73/815623173.db2.gz YFROIFCKEIVPEX-GFCCVEGCSA-N 2 1 288.351 2.321 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000592474273 345358783 /nfs/dbraw/zinc/35/87/83/345358783.db2.gz PVSCJKSNOYYHNS-NSHDSACASA-N 2 1 251.330 2.245 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000596102298 345939906 /nfs/dbraw/zinc/93/99/06/345939906.db2.gz HFNYXOBWNATTMC-CQSZACIVSA-N 2 1 295.383 2.457 20 5 CEBDMP C[N@H+]1CCCC[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000598993409 346443169 /nfs/dbraw/zinc/44/31/69/346443169.db2.gz BAQRWCCYEXGTAC-CQSZACIVSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598993409 346443171 /nfs/dbraw/zinc/44/31/71/346443171.db2.gz BAQRWCCYEXGTAC-CQSZACIVSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598993409 346443172 /nfs/dbraw/zinc/44/31/72/346443172.db2.gz BAQRWCCYEXGTAC-CQSZACIVSA-N 2 1 277.368 2.416 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600681435 346672465 /nfs/dbraw/zinc/67/24/65/346672465.db2.gz HQRCQXQUBQEMKH-SGMGOOAPSA-N 2 1 277.368 2.256 20 5 CEBDMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000070170788 363043975 /nfs/dbraw/zinc/04/39/75/363043975.db2.gz ORVOHGGAYSLVQY-GFCCVEGCSA-N 2 1 293.367 2.164 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000132146591 366121356 /nfs/dbraw/zinc/12/13/56/366121356.db2.gz GSUNPWOQXCBCKX-JSGCOSHPSA-N 2 1 277.368 2.067 20 5 CEBDMP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000346656505 368756032 /nfs/dbraw/zinc/75/60/32/368756032.db2.gz GEONPYLXXXZSCY-UHFFFAOYSA-N 2 1 265.357 2.320 20 5 CEBDMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000346656505 368756033 /nfs/dbraw/zinc/75/60/33/368756033.db2.gz GEONPYLXXXZSCY-UHFFFAOYSA-N 2 1 265.357 2.320 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000228205365 370401233 /nfs/dbraw/zinc/40/12/33/370401233.db2.gz ADDLPNMUNPAWNF-WCQYABFASA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@@H]1C[C@@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000414771118 375961949 /nfs/dbraw/zinc/96/19/49/375961949.db2.gz ZDJJIAHUZKYTQL-HIFRSBDPSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414821489 376008345 /nfs/dbraw/zinc/00/83/45/376008345.db2.gz CGOKBFSJRLNAJS-GXTWGEPZSA-N 2 1 277.368 2.258 20 5 CEBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423187705 377099959 /nfs/dbraw/zinc/09/99/59/377099959.db2.gz PELIWOLRVRCMTJ-LLVKDONJSA-N 2 1 263.341 2.306 20 5 CEBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000423256141 377177413 /nfs/dbraw/zinc/17/74/13/377177413.db2.gz BHVJBDUGEIQBOO-VXGBXAGGSA-N 2 1 295.383 2.500 20 5 CEBDMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423288881 377219008 /nfs/dbraw/zinc/21/90/08/377219008.db2.gz VNTLWQZLDXRKHT-LBPRGKRZSA-N 2 1 251.330 2.373 20 5 CEBDMP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423332330 377263505 /nfs/dbraw/zinc/26/35/05/377263505.db2.gz UZGFHGAFLVDUJQ-GJZGRUSLSA-N 2 1 275.352 2.299 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000443062685 378032154 /nfs/dbraw/zinc/03/21/54/378032154.db2.gz UYYIBXXQHWXIQX-ZDUSSCGKSA-N 2 1 293.367 2.034 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346839581 218031847 /nfs/dbraw/zinc/03/18/47/218031847.db2.gz YNURRUOMIBCVBR-IMJJTQAJSA-N 2 1 289.379 2.462 20 5 CEBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CC[NH2+]C1 ZINC000420363184 395350299 /nfs/dbraw/zinc/35/02/99/395350299.db2.gz BIMDSULZQVVWQX-ZDUSSCGKSA-N 2 1 277.368 2.069 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408327 173185359 /nfs/dbraw/zinc/18/53/59/173185359.db2.gz ACXRRKIQRJNHPF-CYBMUJFWSA-N 2 1 275.352 2.169 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000581131631 322371673 /nfs/dbraw/zinc/37/16/73/322371673.db2.gz NOCVBAHNBIFOAP-GHMZBOCLSA-N 2 1 281.356 2.209 20 5 CEBDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906877 633766275 /nfs/dbraw/zinc/76/62/75/633766275.db2.gz FZDCYHRFDOQCQY-BDAKNGLRSA-N 2 1 271.748 2.464 20 5 CEBDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981234 633824610 /nfs/dbraw/zinc/82/46/10/633824610.db2.gz HSALWHQADPTNMD-QMTHXVAHSA-N 2 1 292.383 2.345 20 5 CEBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431684 635114478 /nfs/dbraw/zinc/11/44/78/635114478.db2.gz VFWDTRZFXCKJDO-YPMHNXCESA-N 2 1 263.341 2.154 20 5 CEBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903883124 635326142 /nfs/dbraw/zinc/32/61/42/635326142.db2.gz SSDZGLMOPZACNI-ZDUSSCGKSA-N 2 1 289.379 2.343 20 5 CEBDMP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923498217 643740364 /nfs/dbraw/zinc/74/03/64/643740364.db2.gz KCGLNNKKNKXGNB-OCCSQVGLSA-N 2 1 277.368 2.054 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923498103 643740794 /nfs/dbraw/zinc/74/07/94/643740794.db2.gz JDVXHMZLLCAUSF-WCQYABFASA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923498216 643741134 /nfs/dbraw/zinc/74/11/34/643741134.db2.gz KCGLNNKKNKXGNB-JSGCOSHPSA-N 2 1 277.368 2.054 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699056 802925751 /nfs/dbraw/zinc/92/57/51/802925751.db2.gz MLNBLJFPENNQPO-RYUDHWBXSA-N 2 1 263.341 2.327 20 5 CEBDMP CC(C)[NH+](CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168956535 811312356 /nfs/dbraw/zinc/31/23/56/811312356.db2.gz BMRUXEXKDFWRRM-KGLIPLIRSA-N 2 1 271.405 2.140 20 5 CEBDMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899007 815539425 /nfs/dbraw/zinc/53/94/25/815539425.db2.gz KKQOOAFJAZXVLV-ZDUSSCGKSA-N 2 1 277.368 2.169 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000251788960 344638044 /nfs/dbraw/zinc/63/80/44/344638044.db2.gz NLRHZXCQZIMZHY-GXTWGEPZSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000251788960 344638046 /nfs/dbraw/zinc/63/80/46/344638046.db2.gz NLRHZXCQZIMZHY-GXTWGEPZSA-N 2 1 277.368 2.462 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592424308 345351789 /nfs/dbraw/zinc/35/17/89/345351789.db2.gz FVKQMVNWPHBQPO-UHFFFAOYSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592424308 345351792 /nfs/dbraw/zinc/35/17/92/345351792.db2.gz FVKQMVNWPHBQPO-UHFFFAOYSA-N 2 1 275.352 2.311 20 5 CEBDMP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000594739833 345683112 /nfs/dbraw/zinc/68/31/12/345683112.db2.gz YMWYMHBDJXEMCN-ALCCZGGFSA-N 2 1 275.352 2.469 20 5 CEBDMP CC(C)c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000600777443 346688542 /nfs/dbraw/zinc/68/85/42/346688542.db2.gz UFACOXCZNURPAM-UHFFFAOYSA-N 2 1 295.383 2.125 20 5 CEBDMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000603431128 347368354 /nfs/dbraw/zinc/36/83/54/347368354.db2.gz FCNGOOADPIOJEB-RYUDHWBXSA-N 2 1 283.759 2.464 20 5 CEBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CC[NH2+]CC1 ZINC000094024353 364247510 /nfs/dbraw/zinc/24/75/10/364247510.db2.gz MFTHEWOJQFBJTQ-UHFFFAOYSA-N 2 1 277.368 2.069 20 5 CEBDMP C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000386129305 375253721 /nfs/dbraw/zinc/25/37/21/375253721.db2.gz OGZSUTBPDFHFKR-WFASDCNBSA-N 2 1 277.368 2.258 20 5 CEBDMP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000415068892 394872741 /nfs/dbraw/zinc/87/27/41/394872741.db2.gz RQCUJVAQAWVRDS-CQSZACIVSA-N 2 1 263.341 2.202 20 5 CEBDMP C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423481611 394930040 /nfs/dbraw/zinc/93/00/40/394930040.db2.gz WZYPPHBKRMZWAG-RBZYPMLTSA-N 2 1 263.341 2.298 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000420278155 395291399 /nfs/dbraw/zinc/29/13/99/395291399.db2.gz UXFVPAYZPUISCR-LLVKDONJSA-N 2 1 263.341 2.387 20 5 CEBDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037266974 173075628 /nfs/dbraw/zinc/07/56/28/173075628.db2.gz ZMSGVKVRCQYUST-LLVKDONJSA-N 2 1 263.341 2.340 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414775264 263043757 /nfs/dbraw/zinc/04/37/57/263043757.db2.gz GJFSKBGQXCLAOB-LSDHHAIUSA-N 2 1 289.379 2.416 20 5 CEBDMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000414708548 274385690 /nfs/dbraw/zinc/38/56/90/274385690.db2.gz ZZZUHPMSYHBFAC-OLZOCXBDSA-N 2 1 289.379 2.341 20 5 CEBDMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000515634232 313075032 /nfs/dbraw/zinc/07/50/32/313075032.db2.gz SWBXONBXHGIJEN-NSHDSACASA-N 2 1 251.330 2.245 20 5 CEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000054602269 527146126 /nfs/dbraw/zinc/14/61/26/527146126.db2.gz ZTZJBYZOENEXBC-AGUYFDCRSA-N 2 1 275.352 2.439 20 5 CEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000054602269 527146133 /nfs/dbraw/zinc/14/61/33/527146133.db2.gz ZTZJBYZOENEXBC-AGUYFDCRSA-N 2 1 275.352 2.439 20 5 CEBDMP C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000057994223 627383374 /nfs/dbraw/zinc/38/33/74/627383374.db2.gz MGRNODOGGFXKPH-ZDUSSCGKSA-N 2 1 277.368 2.416 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261956034 629391472 /nfs/dbraw/zinc/39/14/72/629391472.db2.gz GQSBIXNTZJPTAH-UHFFFAOYSA-N 2 1 275.352 2.170 20 5 CEBDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843130019 640296444 /nfs/dbraw/zinc/29/64/44/640296444.db2.gz WQHBLSMRAMEWOA-IUCAKERBSA-N 2 1 271.748 2.464 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519565 643748697 /nfs/dbraw/zinc/74/86/97/643748697.db2.gz UCKAWIVTEWAFFN-FRRDWIJNSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519565 643748699 /nfs/dbraw/zinc/74/86/99/643748699.db2.gz UCKAWIVTEWAFFN-FRRDWIJNSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723699055 802926108 /nfs/dbraw/zinc/92/61/08/802926108.db2.gz MLNBLJFPENNQPO-NWDGAFQWSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327599 346822045 /nfs/dbraw/zinc/82/20/45/346822045.db2.gz XIBCVADMUTXTCM-NQBHXWOUSA-N 2 1 263.341 2.182 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)([NH3+])CC1 ZINC000592484891 345359587 /nfs/dbraw/zinc/35/95/87/345359587.db2.gz GYZFBTOKPRWVDW-LLVKDONJSA-N 2 1 263.341 2.469 20 5 CEBDMP C[NH2+]CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000063159106 362753485 /nfs/dbraw/zinc/75/34/85/362753485.db2.gz UUCCAYLLUQFRJW-UHFFFAOYSA-N 2 1 269.370 2.088 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000094342165 364268680 /nfs/dbraw/zinc/26/86/80/364268680.db2.gz MMTUDTPZFVVSHV-ZWNOBZJWSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000094342165 364268687 /nfs/dbraw/zinc/26/86/87/364268687.db2.gz MMTUDTPZFVVSHV-ZWNOBZJWSA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1[N+](=O)[O-] ZINC000276514879 193364586 /nfs/dbraw/zinc/36/45/86/193364586.db2.gz BHVSESOASJGIMV-LLVKDONJSA-N 2 1 274.324 2.222 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000230045144 370437396 /nfs/dbraw/zinc/43/73/96/370437396.db2.gz KZLANYODIBVQOW-VHDGCEQUSA-N 2 1 275.352 2.154 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000230048063 370437790 /nfs/dbraw/zinc/43/77/90/370437790.db2.gz NRJIUIPVDXZKMH-FPMFFAJLSA-N 2 1 275.352 2.154 20 5 CEBDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247040843 371053063 /nfs/dbraw/zinc/05/30/63/371053063.db2.gz ODATWEJXPSTHSN-BBRMVZONSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414805664 375990784 /nfs/dbraw/zinc/99/07/84/375990784.db2.gz MDOQCMNHCYDOQJ-FZMZJTMJSA-N 2 1 277.368 2.243 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131714080 296240647 /nfs/dbraw/zinc/24/06/47/296240647.db2.gz WRQKOIJCZSTTNB-GRYCIOLGSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422943413 376871201 /nfs/dbraw/zinc/87/12/01/376871201.db2.gz LJKCPDMSJVEZQT-YPMHNXCESA-N 2 1 263.341 2.073 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000443058048 378031771 /nfs/dbraw/zinc/03/17/71/378031771.db2.gz IYUAESPMLZLYQB-LLVKDONJSA-N 2 1 281.331 2.295 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414969150 394830429 /nfs/dbraw/zinc/83/04/29/394830429.db2.gz JBHRZFUSQOMUAL-CQSZACIVSA-N 2 1 277.368 2.381 20 5 CEBDMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414975485 394833676 /nfs/dbraw/zinc/83/36/76/394833676.db2.gz OPLFBZPZWJCKCS-AWEZNQCLSA-N 2 1 293.367 2.081 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020129165 171016812 /nfs/dbraw/zinc/01/68/12/171016812.db2.gz HYFCGQBKIHRGMP-UHFFFAOYSA-N 2 1 263.341 2.170 20 5 CEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000430570957 271393349 /nfs/dbraw/zinc/39/33/49/271393349.db2.gz NFLPSLWOJFFJAZ-ZDUSSCGKSA-N 2 1 295.383 2.279 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588357 271396773 /nfs/dbraw/zinc/39/67/73/271396773.db2.gz DLDLWHZSYUZFDV-QWHCGFSZSA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588357 271396776 /nfs/dbraw/zinc/39/67/76/271396776.db2.gz DLDLWHZSYUZFDV-QWHCGFSZSA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226539859 524846893 /nfs/dbraw/zinc/84/68/93/524846893.db2.gz MVGHSBQDESDVKV-GMXVVIOVSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466103 631532755 /nfs/dbraw/zinc/53/27/55/631532755.db2.gz NWZBYDHSLHCWOU-GFCCVEGCSA-N 2 1 277.368 2.382 20 5 CEBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033819 639626265 /nfs/dbraw/zinc/62/62/65/639626265.db2.gz ZRVORHJRDKSERX-SNVBAGLBSA-N 2 1 283.759 2.337 20 5 CEBDMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841051918 639633555 /nfs/dbraw/zinc/63/35/55/639633555.db2.gz RQWNCPBAXURLPX-QMMMGPOBSA-N 2 1 257.721 2.075 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1CCC[NH3+] ZINC001173225279 815629498 /nfs/dbraw/zinc/62/94/98/815629498.db2.gz JCFHWQXKYAULSY-LBPRGKRZSA-N 2 1 288.351 2.486 20 5 CEBDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044534322 343473822 /nfs/dbraw/zinc/47/38/22/343473822.db2.gz LJIHDUGAIMPUQY-ZDUSSCGKSA-N 2 1 263.341 2.026 20 5 CEBDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044534322 343473826 /nfs/dbraw/zinc/47/38/26/343473826.db2.gz LJIHDUGAIMPUQY-ZDUSSCGKSA-N 2 1 263.341 2.026 20 5 CEBDMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000602019019 346961722 /nfs/dbraw/zinc/96/17/22/346961722.db2.gz DKONDDMJCLQFAT-UDGJJRABSA-N 2 1 275.352 2.135 20 5 CEBDMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000600728245 346679596 /nfs/dbraw/zinc/67/95/96/346679596.db2.gz OFJNLOLVXRRWCJ-CYBMUJFWSA-N 2 1 295.383 2.132 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720504 180030041 /nfs/dbraw/zinc/03/00/41/180030041.db2.gz CXASYQGXAZKBDH-OCCSQVGLSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720504 180030042 /nfs/dbraw/zinc/03/00/42/180030042.db2.gz CXASYQGXAZKBDH-OCCSQVGLSA-N 2 1 277.368 2.476 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000070169381 363042062 /nfs/dbraw/zinc/04/20/62/363042062.db2.gz LILZFXYJYBQASJ-JTQLQIEISA-N 2 1 269.370 2.217 20 5 CEBDMP Cc1c([C@H](C)[NH2+]C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423187706 377100098 /nfs/dbraw/zinc/10/00/98/377100098.db2.gz PELIWOLRVRCMTJ-NSHDSACASA-N 2 1 263.341 2.306 20 5 CEBDMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423313389 377242599 /nfs/dbraw/zinc/24/25/99/377242599.db2.gz FRKSBWZTQIVNES-KGLIPLIRSA-N 2 1 263.341 2.373 20 5 CEBDMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294034989 377879476 /nfs/dbraw/zinc/87/94/76/377879476.db2.gz FSEVGBXFUCDMKM-WDEREUQCSA-N 2 1 280.372 2.025 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261588472 394603594 /nfs/dbraw/zinc/60/35/94/394603594.db2.gz KFOARDJKHVTXBS-FZMZJTMJSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261588472 394603599 /nfs/dbraw/zinc/60/35/99/394603599.db2.gz KFOARDJKHVTXBS-FZMZJTMJSA-N 2 1 263.341 2.327 20 5 CEBDMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414865149 394777847 /nfs/dbraw/zinc/77/78/47/394777847.db2.gz YYQUVDPMZMDRQD-YPMHNXCESA-N 2 1 293.367 2.081 20 5 CEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000128434488 394854699 /nfs/dbraw/zinc/85/46/99/394854699.db2.gz MLCXSSHNNDHFBA-HNNXBMFYSA-N 2 1 279.384 2.443 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139320 394902629 /nfs/dbraw/zinc/90/26/29/394902629.db2.gz ZLLVJCXCXQGENQ-FZMZJTMJSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139320 394902632 /nfs/dbraw/zinc/90/26/32/394902632.db2.gz ZLLVJCXCXQGENQ-FZMZJTMJSA-N 2 1 277.368 2.320 20 5 CEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423526669 394945716 /nfs/dbraw/zinc/94/57/16/394945716.db2.gz QOFRCDPXANRGBO-DVOMOZLQSA-N 2 1 291.395 2.443 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000291820052 395169108 /nfs/dbraw/zinc/16/91/08/395169108.db2.gz ZBCQRWLNFVWKJL-LLVKDONJSA-N 2 1 265.357 2.191 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397322215 395222888 /nfs/dbraw/zinc/22/28/88/395222888.db2.gz TUELYXUSHLSGKK-IPYPFGDCSA-N 2 1 291.395 2.443 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408325 173185444 /nfs/dbraw/zinc/18/54/44/173185444.db2.gz CCXCKUPNYNYRCN-CYBMUJFWSA-N 2 1 275.352 2.169 20 5 CEBDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040622182 174354634 /nfs/dbraw/zinc/35/46/34/174354634.db2.gz KBVKDTABUJOLIR-CQSZACIVSA-N 2 1 277.368 2.415 20 5 CEBDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000040622182 174354636 /nfs/dbraw/zinc/35/46/36/174354636.db2.gz KBVKDTABUJOLIR-CQSZACIVSA-N 2 1 277.368 2.415 20 5 CEBDMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000430570749 263298593 /nfs/dbraw/zinc/29/85/93/263298593.db2.gz CCSFDZMQTPHWGZ-AWEZNQCLSA-N 2 1 265.357 2.100 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261588473 278313558 /nfs/dbraw/zinc/31/35/58/278313558.db2.gz KFOARDJKHVTXBS-RISCZKNCSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261588473 278313559 /nfs/dbraw/zinc/31/35/59/278313559.db2.gz KFOARDJKHVTXBS-RISCZKNCSA-N 2 1 263.341 2.327 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000581131634 322371627 /nfs/dbraw/zinc/37/16/27/322371627.db2.gz NOCVBAHNBIFOAP-WDEREUQCSA-N 2 1 281.356 2.209 20 5 CEBDMP C[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429032 634650137 /nfs/dbraw/zinc/65/01/37/634650137.db2.gz JJIDYFXBEBDGDZ-OUCADQQQSA-N 2 1 277.368 2.428 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262061876 629661175 /nfs/dbraw/zinc/66/11/75/629661175.db2.gz RFVXNVBZGUAUMF-UHFFFAOYSA-N 2 1 275.352 2.170 20 5 CEBDMP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305333 635557328 /nfs/dbraw/zinc/55/73/28/635557328.db2.gz LCZQEFZGXNGQED-JGZJWPJOSA-N 2 1 283.759 2.417 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885702 639882143 /nfs/dbraw/zinc/88/21/43/639882143.db2.gz AKRQHTNTWRTVGE-UHFFFAOYSA-N 2 1 274.324 2.198 20 5 CEBDMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000923502555 643738070 /nfs/dbraw/zinc/73/80/70/643738070.db2.gz ZXPFRMNSVLVRGE-YPMHNXCESA-N 2 1 293.367 2.020 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000923499936 643740551 /nfs/dbraw/zinc/74/05/51/643740551.db2.gz OREPHOJCEYPVTJ-WCQYABFASA-N 2 1 277.368 2.320 20 5 CEBDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169008238 811331758 /nfs/dbraw/zinc/33/17/58/811331758.db2.gz SHHGMUSMBMJPSW-TUVASFSCSA-N 2 1 283.416 2.140 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001173224833 815629227 /nfs/dbraw/zinc/62/92/27/815629227.db2.gz HBSBATUUNXUTPL-ZENOOKHLSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001173224833 815629228 /nfs/dbraw/zinc/62/92/28/815629228.db2.gz HBSBATUUNXUTPL-ZENOOKHLSA-N 2 1 291.395 2.456 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000037644770 343430309 /nfs/dbraw/zinc/43/03/09/343430309.db2.gz XBISWBIPJZVAOK-AWEZNQCLSA-N 2 1 277.368 2.069 20 5 CEBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH3+] ZINC000591581569 345266754 /nfs/dbraw/zinc/26/67/54/345266754.db2.gz ZKUHXKQDPOVBRT-WDEREUQCSA-N 2 1 283.397 2.402 20 5 CEBDMP CC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489029 345359368 /nfs/dbraw/zinc/35/93/68/345359368.db2.gz PJVAXIZRMNEPFJ-IUODEOHRSA-N 2 1 293.367 2.033 20 5 CEBDMP CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592488993 345359455 /nfs/dbraw/zinc/35/94/55/345359455.db2.gz OQZJGCLVNVECPJ-IUODEOHRSA-N 2 1 293.367 2.033 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000592494227 345360408 /nfs/dbraw/zinc/36/04/08/345360408.db2.gz MYSRJLNAAHLZAY-ZDUSSCGKSA-N 2 1 275.352 2.169 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000592494227 345360410 /nfs/dbraw/zinc/36/04/10/345360410.db2.gz MYSRJLNAAHLZAY-ZDUSSCGKSA-N 2 1 275.352 2.169 20 5 CEBDMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595512900 345800688 /nfs/dbraw/zinc/80/06/88/345800688.db2.gz XSWRGDSNBIQNGS-OAHLLOKOSA-N 2 1 293.342 2.262 20 5 CEBDMP Cc1cccc([N+](=O)[O-])c1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596425857 346020074 /nfs/dbraw/zinc/02/00/74/346020074.db2.gz XFYQWTZYQKJINI-UHFFFAOYSA-N 2 1 294.399 2.199 20 5 CEBDMP Cc1cccc([N+](=O)[O-])c1NCC[N@H+](C)CCC[NH+](C)C ZINC000596425857 346020078 /nfs/dbraw/zinc/02/00/78/346020078.db2.gz XFYQWTZYQKJINI-UHFFFAOYSA-N 2 1 294.399 2.199 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070074643 363026628 /nfs/dbraw/zinc/02/66/28/363026628.db2.gz RDDWWRRFILQILX-OCCSQVGLSA-N 2 1 277.368 2.197 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131473636 366056355 /nfs/dbraw/zinc/05/63/55/366056355.db2.gz JRIVLYKCKCCGSY-WOPDTQHZSA-N 2 1 263.341 2.325 20 5 CEBDMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292253266 198218231 /nfs/dbraw/zinc/21/82/31/198218231.db2.gz XZAHTPXULQEYTN-INIZCTEOSA-N 2 1 289.379 2.165 20 5 CEBDMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292253266 198218233 /nfs/dbraw/zinc/21/82/33/198218233.db2.gz XZAHTPXULQEYTN-INIZCTEOSA-N 2 1 289.379 2.165 20 5 CEBDMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292253266 198218235 /nfs/dbraw/zinc/21/82/35/198218235.db2.gz XZAHTPXULQEYTN-INIZCTEOSA-N 2 1 289.379 2.165 20 5 CEBDMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000564822607 313777501 /nfs/dbraw/zinc/77/75/01/313777501.db2.gz STBNNAPGDWMEBS-NSHDSACASA-N 2 1 251.330 2.245 20 5 CEBDMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000093874526 364238686 /nfs/dbraw/zinc/23/86/86/364238686.db2.gz ZARBMLGNCSJGFQ-UHFFFAOYSA-N 2 1 281.356 2.020 20 5 CEBDMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000093874526 364238692 /nfs/dbraw/zinc/23/86/92/364238692.db2.gz ZARBMLGNCSJGFQ-UHFFFAOYSA-N 2 1 281.356 2.020 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000350047397 369490816 /nfs/dbraw/zinc/49/08/16/369490816.db2.gz HZSMFKIEHRPHOM-TZMCWYRMSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000350047397 369490818 /nfs/dbraw/zinc/49/08/18/369490818.db2.gz HZSMFKIEHRPHOM-TZMCWYRMSA-N 2 1 277.368 2.476 20 5 CEBDMP CC[C@H](C)[N@H+](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219720846 370226964 /nfs/dbraw/zinc/22/69/64/370226964.db2.gz FYCLKXCSJMMLLF-ZDUSSCGKSA-N 2 1 279.384 2.457 20 5 CEBDMP CC[C@H](C)[N@@H+](C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000219720846 370226966 /nfs/dbraw/zinc/22/69/66/370226966.db2.gz FYCLKXCSJMMLLF-ZDUSSCGKSA-N 2 1 279.384 2.457 20 5 CEBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCC[NH2+]C1 ZINC000420383644 376683689 /nfs/dbraw/zinc/68/36/89/376683689.db2.gz ZTHUNBXXAUAIFI-AWEZNQCLSA-N 2 1 291.395 2.459 20 5 CEBDMP CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C)cc1[N+](=O)[O-] ZINC000423201221 377117830 /nfs/dbraw/zinc/11/78/30/377117830.db2.gz OBRZCUAJGLNENR-NSHDSACASA-N 2 1 281.356 2.254 20 5 CEBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[NH3+] ZINC000423176752 377086772 /nfs/dbraw/zinc/08/67/72/377086772.db2.gz CYMZEIWAEKDFQD-SNVBAGLBSA-N 2 1 269.370 2.014 20 5 CEBDMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423178701 377088737 /nfs/dbraw/zinc/08/87/37/377088737.db2.gz GJNODWXIZBUFGE-LLVKDONJSA-N 2 1 293.367 2.396 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415059580 394868740 /nfs/dbraw/zinc/86/87/40/394868740.db2.gz YPDWIGUHAQXDDU-IUODEOHRSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415059580 394868742 /nfs/dbraw/zinc/86/87/42/394868742.db2.gz YPDWIGUHAQXDDU-IUODEOHRSA-N 2 1 277.368 2.320 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000423391702 394911714 /nfs/dbraw/zinc/91/17/14/394911714.db2.gz KYQGQSJOZUEGPX-COPLHBTASA-N 2 1 263.341 2.243 20 5 CEBDMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cccc([N+](=O)[O-])c1 ZINC000423459028 394925560 /nfs/dbraw/zinc/92/55/60/394925560.db2.gz HLNLLVGIJMRULD-WCQYABFASA-N 2 1 251.330 2.373 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000226873519 153338607 /nfs/dbraw/zinc/33/86/07/153338607.db2.gz KYMAFDRWULCWTF-FZMZJTMJSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000226873519 153338601 /nfs/dbraw/zinc/33/86/01/153338601.db2.gz KYMAFDRWULCWTF-FZMZJTMJSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000226873519 153338603 /nfs/dbraw/zinc/33/86/03/153338603.db2.gz KYMAFDRWULCWTF-FZMZJTMJSA-N 2 1 277.368 2.476 20 5 CEBDMP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000071142004 176040306 /nfs/dbraw/zinc/04/03/06/176040306.db2.gz DOODWQUJKSLKBL-NWDGAFQWSA-N 2 1 263.341 2.197 20 5 CEBDMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000071142004 176040308 /nfs/dbraw/zinc/04/03/08/176040308.db2.gz DOODWQUJKSLKBL-NWDGAFQWSA-N 2 1 263.341 2.197 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414775258 263043741 /nfs/dbraw/zinc/04/37/41/263043741.db2.gz GJFSKBGQXCLAOB-GJZGRUSLSA-N 2 1 289.379 2.416 20 5 CEBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414775742 263044462 /nfs/dbraw/zinc/04/44/62/263044462.db2.gz GORMWGFEZPBLRO-STQMWFEESA-N 2 1 295.408 2.478 20 5 CEBDMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422943410 270804022 /nfs/dbraw/zinc/80/40/22/270804022.db2.gz LJKCPDMSJVEZQT-AAEUAGOBSA-N 2 1 263.341 2.073 20 5 CEBDMP Cc1c(C[NH2+][C@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000430557851 271390462 /nfs/dbraw/zinc/39/04/62/271390462.db2.gz UAOIAISBXJJHNT-CQSZACIVSA-N 2 1 263.341 2.120 20 5 CEBDMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423464123 281048150 /nfs/dbraw/zinc/04/81/50/281048150.db2.gz LVRPLGIHUQNASH-SMDDNHRTSA-N 2 1 263.341 2.299 20 5 CEBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000459724552 290218478 /nfs/dbraw/zinc/21/84/78/290218478.db2.gz FEUMLMCFDXRWTQ-LLVKDONJSA-N 2 1 283.397 2.478 20 5 CEBDMP CC(C)c1ccc(C[N@H+](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000576464399 314278433 /nfs/dbraw/zinc/27/84/33/314278433.db2.gz JFVWSAIVOLQYKR-UHFFFAOYSA-N 2 1 265.357 2.499 20 5 CEBDMP CC(C)c1ccc(C[N@@H+](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000576464399 314278434 /nfs/dbraw/zinc/27/84/34/314278434.db2.gz JFVWSAIVOLQYKR-UHFFFAOYSA-N 2 1 265.357 2.499 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583943 633035029 /nfs/dbraw/zinc/03/50/29/633035029.db2.gz RNYLMDXKFDUWEZ-NTZNESFSSA-N 2 1 292.383 2.310 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583943 633035035 /nfs/dbraw/zinc/03/50/35/633035035.db2.gz RNYLMDXKFDUWEZ-NTZNESFSSA-N 2 1 292.383 2.310 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939214 635351376 /nfs/dbraw/zinc/35/13/76/635351376.db2.gz WDNODCQCUKWBCO-UHFFFAOYSA-N 2 1 281.356 2.211 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000228477585 639637398 /nfs/dbraw/zinc/63/73/98/639637398.db2.gz GHAAPJFQCYZDLI-ZLKJLUDKSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000228477585 639637400 /nfs/dbraw/zinc/63/74/00/639637400.db2.gz GHAAPJFQCYZDLI-ZLKJLUDKSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998382 811327345 /nfs/dbraw/zinc/32/73/45/811327345.db2.gz LYZNDVPSZUHEMU-YHUYYLMFSA-N 2 1 295.427 2.414 20 5 CEBDMP CC(C)[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169054295 811359537 /nfs/dbraw/zinc/35/95/37/811359537.db2.gz LLIVJFWEGPSBHL-UKRRQHHQSA-N 2 1 283.416 2.236 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C)CC1 ZINC000449064041 282085544 /nfs/dbraw/zinc/08/55/44/282085544.db2.gz SJSCNFLAISNANP-GFCCVEGCSA-N 2 1 277.368 2.210 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122284895 344306048 /nfs/dbraw/zinc/30/60/48/344306048.db2.gz YAQZHOSSXLACAI-AAEUAGOBSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122284895 344306049 /nfs/dbraw/zinc/30/60/49/344306049.db2.gz YAQZHOSSXLACAI-AAEUAGOBSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592437175 345353452 /nfs/dbraw/zinc/35/34/52/345353452.db2.gz BHSVFUNTPFNTAR-DTWKUNHWSA-N 2 1 271.748 2.464 20 5 CEBDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000592437176 345353655 /nfs/dbraw/zinc/35/36/55/345353655.db2.gz BHSVFUNTPFNTAR-IUCAKERBSA-N 2 1 271.748 2.464 20 5 CEBDMP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596652854 346071971 /nfs/dbraw/zinc/07/19/71/346071971.db2.gz JISAOLUXKDKUTG-BXUZGUMPSA-N 2 1 277.368 2.113 20 5 CEBDMP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596652858 346072042 /nfs/dbraw/zinc/07/20/42/346072042.db2.gz JISAOLUXKDKUTG-SMDDNHRTSA-N 2 1 277.368 2.113 20 5 CEBDMP C[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C[NH+](C)C ZINC000601168442 346775511 /nfs/dbraw/zinc/77/55/11/346775511.db2.gz XDQXYRYRLBSDBR-LLVKDONJSA-N 2 1 288.351 2.175 20 5 CEBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000091847568 180270929 /nfs/dbraw/zinc/27/09/29/180270929.db2.gz ASBZYFFYLBRSPA-UHFFFAOYSA-N 2 1 277.368 2.339 20 5 CEBDMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000123181058 187076185 /nfs/dbraw/zinc/07/61/85/187076185.db2.gz ODATWEJXPSTHSN-CJNGLKHVSA-N 2 1 291.395 2.457 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000342089818 216214080 /nfs/dbraw/zinc/21/40/80/216214080.db2.gz BMGDTWAXPKMNHR-MISXGVKJSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000342089818 216214083 /nfs/dbraw/zinc/21/40/83/216214083.db2.gz BMGDTWAXPKMNHR-MISXGVKJSA-N 2 1 293.342 2.293 20 5 CEBDMP C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163467006 367242479 /nfs/dbraw/zinc/24/24/79/367242479.db2.gz BRCUIGSYZHAOPC-YPMHNXCESA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000163467006 367242481 /nfs/dbraw/zinc/24/24/81/367242481.db2.gz BRCUIGSYZHAOPC-YPMHNXCESA-N 2 1 263.341 2.012 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674959 371466698 /nfs/dbraw/zinc/46/66/98/371466698.db2.gz WFIMYCJVXHNRDO-HIFRSBDPSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252674959 371466701 /nfs/dbraw/zinc/46/67/01/371466701.db2.gz WFIMYCJVXHNRDO-HIFRSBDPSA-N 2 1 275.352 2.311 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000252708870 371471367 /nfs/dbraw/zinc/47/13/67/371471367.db2.gz BIAXQQPDYKAJDW-SWLSCSKDSA-N 2 1 277.368 2.067 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000261743261 371716084 /nfs/dbraw/zinc/71/60/84/371716084.db2.gz SIBBNBMQVSJIGB-RIEGTJTDSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000261743261 371716087 /nfs/dbraw/zinc/71/60/87/371716087.db2.gz SIBBNBMQVSJIGB-RIEGTJTDSA-N 2 1 293.342 2.293 20 5 CEBDMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000556942891 376521677 /nfs/dbraw/zinc/52/16/77/376521677.db2.gz OWYLUCVOMKVDRA-CHWSQXEVSA-N 2 1 289.379 2.341 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346821978 218025293 /nfs/dbraw/zinc/02/52/93/218025293.db2.gz DYXJGVNLQWCQQH-SOUVJXGZSA-N 2 1 289.379 2.462 20 5 CEBDMP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000414857140 394773275 /nfs/dbraw/zinc/77/32/75/394773275.db2.gz OYSIIWBXFSBAQP-GHMZBOCLSA-N 2 1 281.331 2.212 20 5 CEBDMP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414899038 394794891 /nfs/dbraw/zinc/79/48/91/394794891.db2.gz GQHPZEVFCVMEIZ-OAHLLOKOSA-N 2 1 293.367 2.083 20 5 CEBDMP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414899036 394795132 /nfs/dbraw/zinc/79/51/32/394795132.db2.gz GQHPZEVFCVMEIZ-HNNXBMFYSA-N 2 1 293.367 2.083 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415011374 394848443 /nfs/dbraw/zinc/84/84/43/394848443.db2.gz ZYRSIVBWJDIGPE-LBPRGKRZSA-N 2 1 299.321 2.238 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000342089815 395009933 /nfs/dbraw/zinc/00/99/33/395009933.db2.gz BMGDTWAXPKMNHR-JTNHKYCSSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000342089815 395009938 /nfs/dbraw/zinc/00/99/38/395009938.db2.gz BMGDTWAXPKMNHR-JTNHKYCSSA-N 2 1 293.342 2.293 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397322219 395222945 /nfs/dbraw/zinc/22/29/45/395222945.db2.gz TUELYXUSHLSGKK-UMVBOHGHSA-N 2 1 291.395 2.443 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346695191 154293250 /nfs/dbraw/zinc/29/32/50/154293250.db2.gz YUFZNHNVLQDLKM-DGCLKSJQSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346695191 154293256 /nfs/dbraw/zinc/29/32/56/154293256.db2.gz YUFZNHNVLQDLKM-DGCLKSJQSA-N 2 1 263.341 2.072 20 5 CEBDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000268960847 270331120 /nfs/dbraw/zinc/33/11/20/270331120.db2.gz VSYNEYQWQJJVSJ-DZGCQCFKSA-N 2 1 291.395 2.457 20 5 CEBDMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414838760 277272691 /nfs/dbraw/zinc/27/26/91/277272691.db2.gz ZKDGBQKBZHMCSK-GXTWGEPZSA-N 2 1 277.368 2.115 20 5 CEBDMP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000422838960 280932434 /nfs/dbraw/zinc/93/24/34/280932434.db2.gz PGNUHVPBPRRSTB-CQSZACIVSA-N 2 1 263.341 2.388 20 5 CEBDMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903175464 634998827 /nfs/dbraw/zinc/99/88/27/634998827.db2.gz SIVKRVMQHNHYDO-VXGBXAGGSA-N 2 1 295.383 2.452 20 5 CEBDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000906508360 636759638 /nfs/dbraw/zinc/75/96/38/636759638.db2.gz PCVPTNMSRDXPIT-HAQNSBGRSA-N 2 1 287.319 2.434 20 5 CEBDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843130018 640296171 /nfs/dbraw/zinc/29/61/71/640296171.db2.gz WQHBLSMRAMEWOA-DTWKUNHWSA-N 2 1 271.748 2.464 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000070170772 641639691 /nfs/dbraw/zinc/63/96/91/641639691.db2.gz GXVVVLGAWQUILT-LLVKDONJSA-N 2 1 281.331 2.295 20 5 CEBDMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000923502553 643738583 /nfs/dbraw/zinc/73/85/83/643738583.db2.gz ZXPFRMNSVLVRGE-DGCLKSJQSA-N 2 1 293.367 2.020 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1[N+](=O)[O-] ZINC000883441355 652471427 /nfs/dbraw/zinc/47/14/27/652471427.db2.gz MFFVGHKPHAYZTL-CHWSQXEVSA-N 2 1 263.341 2.119 20 5 CEBDMP CC(C)[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168998049 811326618 /nfs/dbraw/zinc/32/66/18/811326618.db2.gz HQXLVSDJVFBQTN-TUVASFSCSA-N 2 1 283.416 2.412 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601334276 346823736 /nfs/dbraw/zinc/82/37/36/346823736.db2.gz JYSKXWOZIAZDGD-CJNGLKHVSA-N 2 1 289.379 2.477 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601334276 346823737 /nfs/dbraw/zinc/82/37/37/346823737.db2.gz JYSKXWOZIAZDGD-CJNGLKHVSA-N 2 1 289.379 2.477 20 5 CEBDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044364552 343470397 /nfs/dbraw/zinc/47/03/97/343470397.db2.gz HTCVGQILMNGMFW-CQSZACIVSA-N 2 1 277.368 2.415 20 5 CEBDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044364552 343470399 /nfs/dbraw/zinc/47/03/99/343470399.db2.gz HTCVGQILMNGMFW-CQSZACIVSA-N 2 1 277.368 2.415 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427761 345352000 /nfs/dbraw/zinc/35/20/00/345352000.db2.gz ZDQUCQYUOMMTSC-UONOGXRCSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427761 345352004 /nfs/dbraw/zinc/35/20/04/345352004.db2.gz ZDQUCQYUOMMTSC-UONOGXRCSA-N 2 1 277.368 2.462 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000592493965 345360049 /nfs/dbraw/zinc/36/00/49/345360049.db2.gz MEHFMVARPGRXDC-CYBMUJFWSA-N 2 1 275.352 2.169 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000592493965 345360052 /nfs/dbraw/zinc/36/00/52/345360052.db2.gz MEHFMVARPGRXDC-CYBMUJFWSA-N 2 1 275.352 2.169 20 5 CEBDMP CC(C)[N@H+](C)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601110737 346755689 /nfs/dbraw/zinc/75/56/89/346755689.db2.gz HPSZHURAYYHWQJ-UHFFFAOYSA-N 2 1 288.351 2.317 20 5 CEBDMP CC(C)[N@@H+](C)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601110737 346755691 /nfs/dbraw/zinc/75/56/91/346755691.db2.gz HPSZHURAYYHWQJ-UHFFFAOYSA-N 2 1 288.351 2.317 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070074624 363027479 /nfs/dbraw/zinc/02/74/79/363027479.db2.gz WFWVRLNJSVWLIS-OCCSQVGLSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000070074624 363027486 /nfs/dbraw/zinc/02/74/86/363027486.db2.gz WFWVRLNJSVWLIS-OCCSQVGLSA-N 2 1 277.368 2.462 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000070148352 363037058 /nfs/dbraw/zinc/03/70/58/363037058.db2.gz CIABZYRARYYBJR-CYBMUJFWSA-N 2 1 263.341 2.298 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000070148352 363037061 /nfs/dbraw/zinc/03/70/61/363037061.db2.gz CIABZYRARYYBJR-CYBMUJFWSA-N 2 1 263.341 2.298 20 5 CEBDMP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000221282181 370239654 /nfs/dbraw/zinc/23/96/54/370239654.db2.gz HEGGASQFDLVFGO-RYUDHWBXSA-N 2 1 263.341 2.197 20 5 CEBDMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000221282181 370239660 /nfs/dbraw/zinc/23/96/60/370239660.db2.gz HEGGASQFDLVFGO-RYUDHWBXSA-N 2 1 263.341 2.197 20 5 CEBDMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423276910 377200948 /nfs/dbraw/zinc/20/09/48/377200948.db2.gz NMFBAZABIWPMPL-CABCVRRESA-N 2 1 275.352 2.299 20 5 CEBDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423277200 377202629 /nfs/dbraw/zinc/20/26/29/377202629.db2.gz NWXCIPOWGAIPNS-UONOGXRCSA-N 2 1 263.341 2.373 20 5 CEBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347054546 218106638 /nfs/dbraw/zinc/10/66/38/218106638.db2.gz TYBARQFGSBZDFP-XQRVVYSFSA-N 2 1 275.352 2.292 20 5 CEBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347054546 218106640 /nfs/dbraw/zinc/10/66/40/218106640.db2.gz TYBARQFGSBZDFP-XQRVVYSFSA-N 2 1 275.352 2.292 20 5 CEBDMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000518558253 379392151 /nfs/dbraw/zinc/39/21/51/379392151.db2.gz JQGUDNRNFAGEOD-UHFFFAOYSA-N 2 1 288.351 2.393 20 5 CEBDMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000518558253 379392159 /nfs/dbraw/zinc/39/21/59/379392159.db2.gz JQGUDNRNFAGEOD-UHFFFAOYSA-N 2 1 288.351 2.393 20 5 CEBDMP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000422838959 394822339 /nfs/dbraw/zinc/82/23/39/394822339.db2.gz PGNUHVPBPRRSTB-AWEZNQCLSA-N 2 1 263.341 2.388 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139317 394902710 /nfs/dbraw/zinc/90/27/10/394902710.db2.gz ZLLVJCXCXQGENQ-BXUZGUMPSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415139317 394902713 /nfs/dbraw/zinc/90/27/13/394902713.db2.gz ZLLVJCXCXQGENQ-BXUZGUMPSA-N 2 1 277.368 2.320 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675979 174373964 /nfs/dbraw/zinc/37/39/64/174373964.db2.gz PZDMRVURKPADMY-WWGRRREGSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc([N+](=O)[O-])cc1 ZINC000298178165 279472942 /nfs/dbraw/zinc/47/29/42/279472942.db2.gz VDRPBGHFKQRNPW-NSHDSACASA-N 2 1 274.324 2.222 20 5 CEBDMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423464119 281048099 /nfs/dbraw/zinc/04/80/99/281048099.db2.gz LVRPLGIHUQNASH-FZMZJTMJSA-N 2 1 263.341 2.299 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495165 635157598 /nfs/dbraw/zinc/15/75/98/635157598.db2.gz YBMHKSFMTZRONP-VXGBXAGGSA-N 2 1 293.367 2.020 20 5 CEBDMP CC(C)([NH3+])CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903938504 635363689 /nfs/dbraw/zinc/36/36/89/635363689.db2.gz FDHZPGOVENPHIP-UHFFFAOYSA-N 2 1 271.748 2.465 20 5 CEBDMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000923502554 643738646 /nfs/dbraw/zinc/73/86/46/643738646.db2.gz ZXPFRMNSVLVRGE-WCQYABFASA-N 2 1 293.367 2.020 20 5 CEBDMP C[C@@H]1C[C@@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001118020010 814977068 /nfs/dbraw/zinc/97/70/68/814977068.db2.gz SQIGQPBFHQFBPX-NEPJUHHUSA-N 2 1 275.352 2.299 20 5 CEBDMP CC[N+](C)(C)Cc1ccccc1NC(=[NH2+])SCC[NH3+] ZINC001167914457 804407453 /nfs/dbraw/zinc/40/74/53/804407453.db2.gz LQVJZYNNAXGYOO-UHFFFAOYSA-N 3 1 281.449 2.321 20 5 CEBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168967325 811319107 /nfs/dbraw/zinc/31/91/07/811319107.db2.gz ONVFUVZXTJRSDP-QXSJWSMHSA-N 2 1 297.443 2.389 20 5 CEBDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169023862 811353895 /nfs/dbraw/zinc/35/38/95/811353895.db2.gz FYADYPLCCVQUJU-HOTGVXAUSA-N 2 1 297.443 2.484 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601334279 346823506 /nfs/dbraw/zinc/82/35/06/346823506.db2.gz JYSKXWOZIAZDGD-XJKSGUPXSA-N 2 1 289.379 2.477 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601334279 346823510 /nfs/dbraw/zinc/82/35/10/346823510.db2.gz JYSKXWOZIAZDGD-XJKSGUPXSA-N 2 1 289.379 2.477 20 5 CEBDMP Cc1c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000125407367 187183575 /nfs/dbraw/zinc/18/35/75/187183575.db2.gz YIOMDRATRKZWDY-ZNMIVQPWSA-N 2 1 289.379 2.462 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037904622 343432564 /nfs/dbraw/zinc/43/25/64/343432564.db2.gz FECQZZOXDCHBBB-AWEZNQCLSA-N 2 1 289.379 2.211 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000228177224 344558694 /nfs/dbraw/zinc/55/86/94/344558694.db2.gz VKZUKEAGSZJXKG-ZWNOBZJWSA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000228177224 344558696 /nfs/dbraw/zinc/55/86/96/344558696.db2.gz VKZUKEAGSZJXKG-ZWNOBZJWSA-N 2 1 263.341 2.215 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591282847 345237462 /nfs/dbraw/zinc/23/74/62/345237462.db2.gz UQQLGSQKUVAJET-CYBMUJFWSA-N 2 1 275.352 2.359 20 5 CEBDMP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000594739838 345683495 /nfs/dbraw/zinc/68/34/95/345683495.db2.gz YMWYMHBDJXEMCN-FNORWQNLSA-N 2 1 275.352 2.469 20 5 CEBDMP C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000091844442 180269159 /nfs/dbraw/zinc/26/91/59/180269159.db2.gz QLZOLRLUXSPBDW-UHFFFAOYSA-N 2 1 269.370 2.358 20 5 CEBDMP [NH3+]CCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000070187532 363049511 /nfs/dbraw/zinc/04/95/11/363049511.db2.gz CJULOFSDOKNQLI-UHFFFAOYSA-N 2 1 269.370 2.217 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070169348 363042859 /nfs/dbraw/zinc/04/28/59/363042859.db2.gz ZMCQKGIRSOSZLC-GFCCVEGCSA-N 2 1 263.341 2.156 20 5 CEBDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414803687 375990067 /nfs/dbraw/zinc/99/00/67/375990067.db2.gz MPFXYRDMJNYYSG-UHFFFAOYSA-N 2 1 251.330 2.202 20 5 CEBDMP C[NH2+]CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423208091 377124349 /nfs/dbraw/zinc/12/43/49/377124349.db2.gz YUYFGRDLTNFXJY-NSHDSACASA-N 2 1 251.330 2.163 20 5 CEBDMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000293872204 377798248 /nfs/dbraw/zinc/79/82/48/377798248.db2.gz YGWURPHETMENFV-NWDGAFQWSA-N 2 1 265.357 2.443 20 5 CEBDMP C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c[nH+]ccc1N ZINC000422733628 394746127 /nfs/dbraw/zinc/74/61/27/394746127.db2.gz BPFFOTHKDPFZFN-NSHDSACASA-N 2 1 286.335 2.296 20 5 CEBDMP C[NH2+]CCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414857596 394773431 /nfs/dbraw/zinc/77/34/31/394773431.db2.gz FGMDULSSBHISMR-UHFFFAOYSA-N 2 1 265.357 2.417 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414861068 394775877 /nfs/dbraw/zinc/77/58/77/394775877.db2.gz DUVNXTNRIUSSMT-TZMCWYRMSA-N 2 1 277.368 2.258 20 5 CEBDMP C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000422778594 394777572 /nfs/dbraw/zinc/77/75/72/394777572.db2.gz ATVSHZVMSUQOCE-TZMCWYRMSA-N 2 1 277.368 2.258 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415139551 394902319 /nfs/dbraw/zinc/90/23/19/394902319.db2.gz ZVPVZTSBGFQGPT-SMDDNHRTSA-N 2 1 277.368 2.320 20 5 CEBDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000223449764 153315401 /nfs/dbraw/zinc/31/54/01/153315401.db2.gz VWNLPHAPNLNJAQ-WCQYABFASA-N 2 1 293.367 2.033 20 5 CEBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000223449764 153315404 /nfs/dbraw/zinc/31/54/04/153315404.db2.gz VWNLPHAPNLNJAQ-WCQYABFASA-N 2 1 293.367 2.033 20 5 CEBDMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000020013825 170969608 /nfs/dbraw/zinc/96/96/08/170969608.db2.gz IRXKHGANOAYGRW-UHFFFAOYSA-N 2 1 295.383 2.281 20 5 CEBDMP Cc1c([C@@H](C)[NH2+]CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000423282639 270889046 /nfs/dbraw/zinc/88/90/46/270889046.db2.gz DBGDABAOOOFVBH-SNVBAGLBSA-N 2 1 251.330 2.291 20 5 CEBDMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423288487 270890693 /nfs/dbraw/zinc/89/06/93/270890693.db2.gz SKSATALFAHJPSM-ZDUSSCGKSA-N 2 1 263.341 2.299 20 5 CEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423552414 270924359 /nfs/dbraw/zinc/92/43/59/270924359.db2.gz JXGHDELPFTXKFG-JSGCOSHPSA-N 2 1 277.368 2.258 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424373864 271050640 /nfs/dbraw/zinc/05/06/40/271050640.db2.gz HOGSRODZAWMNIY-CHWSQXEVSA-N 2 1 263.341 2.263 20 5 CEBDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000424378788 281153658 /nfs/dbraw/zinc/15/36/58/281153658.db2.gz NTNNUZXCTJSZRD-KMVAXQJASA-N 2 1 275.352 2.468 20 5 CEBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459731269 290220175 /nfs/dbraw/zinc/22/01/75/290220175.db2.gz LCXUVMGKIWUTHX-CYBMUJFWSA-N 2 1 277.368 2.416 20 5 CEBDMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000049557788 524088409 /nfs/dbraw/zinc/08/84/09/524088409.db2.gz QLFXGLDIPRVGLM-LLVKDONJSA-N 2 1 281.356 2.033 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000252710453 524562328 /nfs/dbraw/zinc/56/23/28/524562328.db2.gz GSUNPWOQXCBCKX-GXTWGEPZSA-N 2 1 277.368 2.067 20 5 CEBDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925779477 628804381 /nfs/dbraw/zinc/80/43/81/628804381.db2.gz ODEDBVSHLTXSPL-ZYHUDNBSSA-N 2 1 299.321 2.490 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000261947401 629371295 /nfs/dbraw/zinc/37/12/95/629371295.db2.gz FOLPYSDXBLUXGN-UHFFFAOYSA-N 2 1 293.342 2.309 20 5 CEBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000904405220 635612350 /nfs/dbraw/zinc/61/23/50/635612350.db2.gz IYXDPSFXDMMGEJ-SNVBAGLBSA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C[NH3+] ZINC000923497952 643740074 /nfs/dbraw/zinc/74/00/74/643740074.db2.gz NNBBHNLSYZUMTC-MNOVXSKESA-N 2 1 281.331 2.151 20 5 CEBDMP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000866661660 647859578 /nfs/dbraw/zinc/85/95/78/647859578.db2.gz RVTYPTMBGMSYMW-AWEZNQCLSA-N 2 1 265.357 2.366 20 5 CEBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001168997237 811327203 /nfs/dbraw/zinc/32/72/03/811327203.db2.gz YFAIAIMFVXPPGG-PMPSAXMXSA-N 2 1 295.427 2.286 20 5 CEBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001168997237 811327214 /nfs/dbraw/zinc/32/72/14/811327214.db2.gz YFAIAIMFVXPPGG-PMPSAXMXSA-N 2 1 295.427 2.286 20 5 CEBDMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899006 815539581 /nfs/dbraw/zinc/53/95/81/815539581.db2.gz KKQOOAFJAZXVLV-CYBMUJFWSA-N 2 1 277.368 2.169 20 5 CEBDMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000601969788 346945882 /nfs/dbraw/zinc/94/58/82/346945882.db2.gz FLMACCMIUDTMRR-ZDUSSCGKSA-N 2 1 277.368 2.463 20 5 CEBDMP CC[N@H+]1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602523654 347066295 /nfs/dbraw/zinc/06/62/95/347066295.db2.gz DUGLXNDLCXKZSF-OAHLLOKOSA-N 2 1 291.395 2.459 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000571224587 299300531 /nfs/dbraw/zinc/30/05/31/299300531.db2.gz CSDXJIIKFFYRJT-UHFFFAOYSA-N 2 1 263.341 2.089 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000230048052 370437159 /nfs/dbraw/zinc/43/71/59/370437159.db2.gz NRJIUIPVDXZKMH-KWCYVHTRSA-N 2 1 275.352 2.154 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252674035 371466209 /nfs/dbraw/zinc/46/62/09/371466209.db2.gz NZBPTKGHGVTEDE-KGLIPLIRSA-N 2 1 275.352 2.311 20 5 CEBDMP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252674035 371466216 /nfs/dbraw/zinc/46/62/16/371466216.db2.gz NZBPTKGHGVTEDE-KGLIPLIRSA-N 2 1 275.352 2.311 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261652635 371692527 /nfs/dbraw/zinc/69/25/27/371692527.db2.gz DLABRQWVNZBFKL-FRRDWIJNSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261652635 371692530 /nfs/dbraw/zinc/69/25/30/371692530.db2.gz DLABRQWVNZBFKL-FRRDWIJNSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000423017613 376934408 /nfs/dbraw/zinc/93/44/08/376934408.db2.gz WUXBJQPEVSFMRU-DOMZBBRYSA-N 2 1 277.368 2.258 20 5 CEBDMP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000423332329 377263693 /nfs/dbraw/zinc/26/36/93/377263693.db2.gz UZGFHGAFLVDUJQ-CABCVRRESA-N 2 1 275.352 2.299 20 5 CEBDMP C[NH2+]CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000435877937 377812735 /nfs/dbraw/zinc/81/27/35/377812735.db2.gz WMNFHJPIQNOFSQ-UHFFFAOYSA-N 2 1 293.367 2.048 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000443058049 378032125 /nfs/dbraw/zinc/03/21/25/378032125.db2.gz IYUAESPMLZLYQB-NSHDSACASA-N 2 1 281.331 2.295 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037951 218100287 /nfs/dbraw/zinc/10/02/87/218100287.db2.gz GEMJYPIWPBPIMG-TZMCWYRMSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037951 218100288 /nfs/dbraw/zinc/10/02/88/218100288.db2.gz GEMJYPIWPBPIMG-TZMCWYRMSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000397322221 395222522 /nfs/dbraw/zinc/22/25/22/395222522.db2.gz TUELYXUSHLSGKK-VNHYZAJKSA-N 2 1 291.395 2.443 20 5 CEBDMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000420399824 395370491 /nfs/dbraw/zinc/37/04/91/395370491.db2.gz IEIQYFZFKNERDX-LLVKDONJSA-N 2 1 251.330 2.163 20 5 CEBDMP C[NH2+]CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000435879804 395393775 /nfs/dbraw/zinc/39/37/75/395393775.db2.gz FJQJAOFHIRBDPM-UHFFFAOYSA-N 2 1 265.357 2.415 20 5 CEBDMP C[NH2+]CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000435879804 395393777 /nfs/dbraw/zinc/39/37/77/395393777.db2.gz FJQJAOFHIRBDPM-UHFFFAOYSA-N 2 1 265.357 2.415 20 5 CEBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747106 174392793 /nfs/dbraw/zinc/39/27/93/174392793.db2.gz BNBMAXTZGPYRKE-MZBDJJRSSA-N 2 1 289.379 2.352 20 5 CEBDMP CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422738934 270748069 /nfs/dbraw/zinc/74/80/69/270748069.db2.gz KLKKXQRZYNZXKY-GJZGRUSLSA-N 2 1 277.368 2.258 20 5 CEBDMP Cc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422916925 280963953 /nfs/dbraw/zinc/96/39/53/280963953.db2.gz BXTBTJQPPBSYHH-GHMZBOCLSA-N 2 1 263.341 2.162 20 5 CEBDMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841064486 632381349 /nfs/dbraw/zinc/38/13/49/632381349.db2.gz RDCOXVGXLSPNDU-JOYOIKCWSA-N 2 1 283.759 2.336 20 5 CEBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817957303 633800146 /nfs/dbraw/zinc/80/01/46/633800146.db2.gz AIHXIFRODRRZKI-JQWIXIFHSA-N 2 1 280.372 2.201 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000903954215 635387924 /nfs/dbraw/zinc/38/79/24/635387924.db2.gz AOBAFGPIYZITMY-GFCCVEGCSA-N 2 1 299.321 2.238 20 5 CEBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000723683020 802923972 /nfs/dbraw/zinc/92/39/72/802923972.db2.gz NIQRWAWIZSUSCU-JTQLQIEISA-N 2 1 283.759 2.419 20 5 CEBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998380 811326877 /nfs/dbraw/zinc/32/68/77/811326877.db2.gz LYZNDVPSZUHEMU-KLHDSHLOSA-N 2 1 295.427 2.414 20 5 CEBDMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000697936424 814653820 /nfs/dbraw/zinc/65/38/20/814653820.db2.gz NYCGPQZBBGKPEA-NSHDSACASA-N 2 1 281.356 2.033 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000591278458 345236850 /nfs/dbraw/zinc/23/68/50/345236850.db2.gz DMDXDZLMNBCGIJ-CYBMUJFWSA-N 2 1 293.367 2.225 20 5 CEBDMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000153780153 188103908 /nfs/dbraw/zinc/10/39/08/188103908.db2.gz OLJURTHRKFVGFW-ZDUSSCGKSA-N 2 1 295.383 2.214 20 5 CEBDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000153780153 188103909 /nfs/dbraw/zinc/10/39/09/188103909.db2.gz OLJURTHRKFVGFW-ZDUSSCGKSA-N 2 1 295.383 2.214 20 5 CEBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000104083825 364676186 /nfs/dbraw/zinc/67/61/86/364676186.db2.gz NSMRNBOEXSGVGE-UHFFFAOYSA-N 2 1 277.368 2.368 20 5 CEBDMP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114199455 364930968 /nfs/dbraw/zinc/93/09/68/364930968.db2.gz UZGIGBOHWDLUFE-AWEZNQCLSA-N 2 1 277.368 2.021 20 5 CEBDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000114199455 364930972 /nfs/dbraw/zinc/93/09/72/364930972.db2.gz UZGIGBOHWDLUFE-AWEZNQCLSA-N 2 1 277.368 2.021 20 5 CEBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358360262 371032545 /nfs/dbraw/zinc/03/25/45/371032545.db2.gz BNGNZZMGSYJPGY-GJZGRUSLSA-N 2 1 289.379 2.354 20 5 CEBDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246958057 371037662 /nfs/dbraw/zinc/03/76/62/371037662.db2.gz LAVJXZSVMBTOOJ-SWLSCSKDSA-N 2 1 277.368 2.415 20 5 CEBDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246958057 371037668 /nfs/dbraw/zinc/03/76/68/371037668.db2.gz LAVJXZSVMBTOOJ-SWLSCSKDSA-N 2 1 277.368 2.415 20 5 CEBDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000252892092 371488713 /nfs/dbraw/zinc/48/87/13/371488713.db2.gz MWVNKGJQDDBWAQ-SMDDNHRTSA-N 2 1 263.341 2.025 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000252892092 371488717 /nfs/dbraw/zinc/48/87/17/371488717.db2.gz MWVNKGJQDDBWAQ-SMDDNHRTSA-N 2 1 263.341 2.025 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261974056 371788290 /nfs/dbraw/zinc/78/82/90/371788290.db2.gz IMSZSPQLORCNID-OAHLLOKOSA-N 2 1 275.352 2.089 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261974056 371788293 /nfs/dbraw/zinc/78/82/93/371788293.db2.gz IMSZSPQLORCNID-OAHLLOKOSA-N 2 1 275.352 2.089 20 5 CEBDMP C[C@H]1C[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000556942893 376521837 /nfs/dbraw/zinc/52/18/37/376521837.db2.gz OWYLUCVOMKVDRA-QWHCGFSZSA-N 2 1 289.379 2.341 20 5 CEBDMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347034383 218099126 /nfs/dbraw/zinc/09/91/26/218099126.db2.gz FYAWLNDFZLUYPY-ZDUSSCGKSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000347034383 218099129 /nfs/dbraw/zinc/09/91/29/218099129.db2.gz FYAWLNDFZLUYPY-ZDUSSCGKSA-N 2 1 263.341 2.074 20 5 CEBDMP [NH3+]C[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347170227 218142998 /nfs/dbraw/zinc/14/29/98/218142998.db2.gz NMMSMRBTHGMXCE-WXJAXGNASA-N 2 1 275.352 2.279 20 5 CEBDMP [NH3+]C[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000347170227 218142999 /nfs/dbraw/zinc/14/29/99/218142999.db2.gz NMMSMRBTHGMXCE-WXJAXGNASA-N 2 1 275.352 2.279 20 5 CEBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC000332208319 285143716 /nfs/dbraw/zinc/14/37/16/285143716.db2.gz HZECTDVDGHPICB-HNNXBMFYSA-N 2 1 275.352 2.314 20 5 CEBDMP CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422780752 394779892 /nfs/dbraw/zinc/77/98/92/394779892.db2.gz DJNHNYBFYNIFBR-KGLIPLIRSA-N 2 1 277.368 2.258 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053353 394866279 /nfs/dbraw/zinc/86/62/79/394866279.db2.gz JRSGWVGWPQQXMZ-IUODEOHRSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000422916927 394862023 /nfs/dbraw/zinc/86/20/23/394862023.db2.gz BXTBTJQPPBSYHH-QWRGUYRKSA-N 2 1 263.341 2.162 20 5 CEBDMP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423339169 394891017 /nfs/dbraw/zinc/89/10/17/394891017.db2.gz ZHONLOPBQDSKDX-GXFFZTMASA-N 2 1 263.341 2.291 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414775254 263043852 /nfs/dbraw/zinc/04/38/52/263043852.db2.gz GJFSKBGQXCLAOB-CABCVRRESA-N 2 1 289.379 2.416 20 5 CEBDMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000430570751 263298643 /nfs/dbraw/zinc/29/86/43/263298643.db2.gz CCSFDZMQTPHWGZ-CQSZACIVSA-N 2 1 265.357 2.100 20 5 CEBDMP C[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000158253505 289230487 /nfs/dbraw/zinc/23/04/87/289230487.db2.gz MZBLVEYWPKEVLY-QWHCGFSZSA-N 2 1 293.367 2.046 20 5 CEBDMP C[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000158253505 289230488 /nfs/dbraw/zinc/23/04/88/289230488.db2.gz MZBLVEYWPKEVLY-QWHCGFSZSA-N 2 1 293.367 2.046 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000581131633 322371729 /nfs/dbraw/zinc/37/17/29/322371729.db2.gz NOCVBAHNBIFOAP-QWRGUYRKSA-N 2 1 281.356 2.209 20 5 CEBDMP O=[N+]([O-])CC[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000905072597 635812490 /nfs/dbraw/zinc/81/24/90/635812490.db2.gz BLOFDNUKQOAEEH-UHFFFAOYSA-N 2 1 291.395 2.429 20 5 CEBDMP C[C@H]1C[C@H](CC[NH2+]CC[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000905186573 635856277 /nfs/dbraw/zinc/85/62/77/635856277.db2.gz HXPIAAWGWVFJEM-HOCLYGCPSA-N 2 1 291.395 2.153 20 5 CEBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000843354964 640401070 /nfs/dbraw/zinc/40/10/70/640401070.db2.gz HBAUBERWTMNEMJ-UHFFFAOYSA-N 2 1 293.367 2.175 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C[NH3+] ZINC000923497956 643739568 /nfs/dbraw/zinc/73/95/68/643739568.db2.gz NNBBHNLSYZUMTC-WDEREUQCSA-N 2 1 281.331 2.151 20 5 CEBDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168979022 811307975 /nfs/dbraw/zinc/30/79/75/811307975.db2.gz WENUWGLZHKUOFM-ZQNQSHIBSA-N 2 1 281.400 2.037 20 5 CEBDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001168979022 811307983 /nfs/dbraw/zinc/30/79/83/811307983.db2.gz WENUWGLZHKUOFM-ZQNQSHIBSA-N 2 1 281.400 2.037 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c[nH+]cc1CC[NH3+] ZINC001173211202 815634956 /nfs/dbraw/zinc/63/49/56/815634956.db2.gz RBLDMGVFPAERHN-NSHDSACASA-N 2 1 274.324 2.096 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c[nH+]cc1CC[NH3+] ZINC001173211201 815634991 /nfs/dbraw/zinc/63/49/91/815634991.db2.gz RBLDMGVFPAERHN-LLVKDONJSA-N 2 1 274.324 2.096 20 5 CEBDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044364557 343470430 /nfs/dbraw/zinc/47/04/30/343470430.db2.gz HTCVGQILMNGMFW-AWEZNQCLSA-N 2 1 277.368 2.415 20 5 CEBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044364557 343470433 /nfs/dbraw/zinc/47/04/33/343470433.db2.gz HTCVGQILMNGMFW-AWEZNQCLSA-N 2 1 277.368 2.415 20 5 CEBDMP CC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592488996 345359628 /nfs/dbraw/zinc/35/96/28/345359628.db2.gz OQZJGCLVNVECPJ-WFASDCNBSA-N 2 1 293.367 2.033 20 5 CEBDMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596108097 345941345 /nfs/dbraw/zinc/94/13/45/345941345.db2.gz UTFVDONKJWXKGX-NWDGAFQWSA-N 2 1 265.357 2.113 20 5 CEBDMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596108100 345941478 /nfs/dbraw/zinc/94/14/78/345941478.db2.gz UTFVDONKJWXKGX-VXGBXAGGSA-N 2 1 265.357 2.113 20 5 CEBDMP C[N@H+]1CC[C@@H]2CN(c3ccnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000601171121 346776214 /nfs/dbraw/zinc/77/62/14/346776214.db2.gz ITXRSVMDAGYPSV-BZNIZROVSA-N 2 1 298.346 2.283 20 5 CEBDMP C[C@@H](CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000601194233 346782861 /nfs/dbraw/zinc/78/28/61/346782861.db2.gz VRZVNKGIMORULJ-NSHDSACASA-N 2 1 288.351 2.317 20 5 CEBDMP C[C@H]([NH3+])C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000110645339 186308801 /nfs/dbraw/zinc/30/88/01/186308801.db2.gz SODKLEBTBGHFGE-VIFPVBQESA-N 2 1 269.370 2.216 20 5 CEBDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123140244 187073501 /nfs/dbraw/zinc/07/35/01/187073501.db2.gz SRCJYJNHPCUSFK-TZMCWYRMSA-N 2 1 277.368 2.210 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000123648428 187102754 /nfs/dbraw/zinc/10/27/54/187102754.db2.gz ZUYPXXYTPOBHAI-CQSZACIVSA-N 2 1 265.357 2.400 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000123648428 187102755 /nfs/dbraw/zinc/10/27/55/187102755.db2.gz ZUYPXXYTPOBHAI-CQSZACIVSA-N 2 1 265.357 2.400 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352525627 369772416 /nfs/dbraw/zinc/77/24/16/369772416.db2.gz HRECOLLNDCCYEQ-INIZCTEOSA-N 2 1 289.379 2.479 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352525627 369772423 /nfs/dbraw/zinc/77/24/23/369772423.db2.gz HRECOLLNDCCYEQ-INIZCTEOSA-N 2 1 289.379 2.479 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000229604346 370429137 /nfs/dbraw/zinc/42/91/37/370429137.db2.gz YYFGERHUHOWCTI-RISCZKNCSA-N 2 1 277.368 2.333 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000229604346 370429142 /nfs/dbraw/zinc/42/91/42/370429142.db2.gz YYFGERHUHOWCTI-RISCZKNCSA-N 2 1 277.368 2.333 20 5 CEBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250088673 371376705 /nfs/dbraw/zinc/37/67/05/371376705.db2.gz SBHCKQGOAICTBF-CABCVRRESA-N 2 1 289.379 2.354 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268932129 372292688 /nfs/dbraw/zinc/29/26/88/372292688.db2.gz NBJPTISNOZWHDA-IPYPFGDCSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000252708869 394573461 /nfs/dbraw/zinc/57/34/61/394573461.db2.gz BIAXQQPDYKAJDW-IUODEOHRSA-N 2 1 277.368 2.067 20 5 CEBDMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423444430 394923408 /nfs/dbraw/zinc/92/34/08/394923408.db2.gz LUSSDPGVPMHCTD-KWBADKCTSA-N 2 1 251.330 2.371 20 5 CEBDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285059943 196187988 /nfs/dbraw/zinc/18/79/88/196187988.db2.gz IVRKDRSKASNFLZ-LLVKDONJSA-N 2 1 290.367 2.090 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423386792 270907628 /nfs/dbraw/zinc/90/76/28/270907628.db2.gz RRHUKSXBEKLHPZ-YRGRVCCFSA-N 2 1 277.368 2.256 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588355 271395798 /nfs/dbraw/zinc/39/57/98/271395798.db2.gz DLDLWHZSYUZFDV-CHWSQXEVSA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000430588355 271395802 /nfs/dbraw/zinc/39/58/02/271395802.db2.gz DLDLWHZSYUZFDV-CHWSQXEVSA-N 2 1 293.367 2.033 20 5 CEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000054602144 527145637 /nfs/dbraw/zinc/14/56/37/527145637.db2.gz LGGKBSRSOFCJQH-LQDVMPOASA-N 2 1 275.352 2.439 20 5 CEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000054602144 527145641 /nfs/dbraw/zinc/14/56/41/527145641.db2.gz LGGKBSRSOFCJQH-LQDVMPOASA-N 2 1 275.352 2.439 20 5 CEBDMP C[C@@H]1[C@@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000895736870 630326490 /nfs/dbraw/zinc/32/64/90/630326490.db2.gz LZDXKHSYPDHLSI-MFKMUULPSA-N 2 1 286.335 2.069 20 5 CEBDMP C[C@@H]1[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000895736870 630326493 /nfs/dbraw/zinc/32/64/93/630326493.db2.gz LZDXKHSYPDHLSI-MFKMUULPSA-N 2 1 286.335 2.069 20 5 CEBDMP C[C@@H]1[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000895736870 630326496 /nfs/dbraw/zinc/32/64/96/630326496.db2.gz LZDXKHSYPDHLSI-MFKMUULPSA-N 2 1 286.335 2.069 20 5 CEBDMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841030908 639622238 /nfs/dbraw/zinc/62/22/38/639622238.db2.gz OUWKLYLQSWQKOE-ZANVPECISA-N 2 1 283.759 2.465 20 5 CEBDMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740944 650884957 /nfs/dbraw/zinc/88/49/57/650884957.db2.gz LIJYJDSKYQRYAQ-ZBFHGGJFSA-N 2 1 289.379 2.163 20 5 CEBDMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740944 650884960 /nfs/dbraw/zinc/88/49/60/650884960.db2.gz LIJYJDSKYQRYAQ-ZBFHGGJFSA-N 2 1 289.379 2.163 20 5 CEBDMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740944 650884963 /nfs/dbraw/zinc/88/49/63/650884963.db2.gz LIJYJDSKYQRYAQ-ZBFHGGJFSA-N 2 1 289.379 2.163 20 5 CEBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000877740944 650884966 /nfs/dbraw/zinc/88/49/66/650884966.db2.gz LIJYJDSKYQRYAQ-ZBFHGGJFSA-N 2 1 289.379 2.163 20 5 CEBDMP C[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000697868784 806719042 /nfs/dbraw/zinc/71/90/42/806719042.db2.gz DQUDHQWEIUKJPB-LLVKDONJSA-N 2 1 251.330 2.025 20 5 CEBDMP COc1ccc(C[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170318658 812386344 /nfs/dbraw/zinc/38/63/44/812386344.db2.gz QZVPXKAKZSGHRL-NEPJUHHUSA-N 2 1 295.383 2.061 20 5 CEBDMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900343 815539768 /nfs/dbraw/zinc/53/97/68/815539768.db2.gz SMZKUNABBMJUEU-HUUCEWRRSA-N 2 1 289.379 2.265 20 5 CEBDMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900343 815539769 /nfs/dbraw/zinc/53/97/69/815539769.db2.gz SMZKUNABBMJUEU-HUUCEWRRSA-N 2 1 289.379 2.265 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001173213815 815636544 /nfs/dbraw/zinc/63/65/44/815636544.db2.gz KRXJVRQMWWQBPQ-TZMCWYRMSA-N 2 1 277.368 2.067 20 5 CEBDMP [NH3+][C@H]1CCCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324964 346821556 /nfs/dbraw/zinc/82/15/56/346821556.db2.gz SQKDMWKTYJJBEJ-AWEZNQCLSA-N 2 1 277.368 2.341 20 5 CEBDMP [NH3+][C@H]1CCCCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601324964 346821560 /nfs/dbraw/zinc/82/15/60/346821560.db2.gz SQKDMWKTYJJBEJ-AWEZNQCLSA-N 2 1 277.368 2.341 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090909863 344146736 /nfs/dbraw/zinc/14/67/36/344146736.db2.gz YOFNZAGIOPXYER-WFASDCNBSA-N 2 1 277.368 2.067 20 5 CEBDMP CC[NH+](CC)[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602510360 347061881 /nfs/dbraw/zinc/06/18/81/347061881.db2.gz MNVFKJIBIGEWSC-CYBMUJFWSA-N 2 1 279.384 2.457 20 5 CEBDMP CC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489028 345359770 /nfs/dbraw/zinc/35/97/70/345359770.db2.gz PJVAXIZRMNEPFJ-DOMZBBRYSA-N 2 1 293.367 2.033 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000594738624 345682557 /nfs/dbraw/zinc/68/25/57/345682557.db2.gz INYJWBZMSRCBGH-UHFFFAOYSA-N 2 1 263.341 2.264 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000596100768 345939917 /nfs/dbraw/zinc/93/99/17/345939917.db2.gz CKQHCOSUMACCRM-CYBMUJFWSA-N 2 1 269.320 2.197 20 5 CEBDMP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596652857 346072440 /nfs/dbraw/zinc/07/24/40/346072440.db2.gz JISAOLUXKDKUTG-RISCZKNCSA-N 2 1 277.368 2.113 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074726 363027062 /nfs/dbraw/zinc/02/70/62/363027062.db2.gz LNHOHGCIBFPUSG-NWDGAFQWSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000070074726 363027067 /nfs/dbraw/zinc/02/70/67/363027067.db2.gz LNHOHGCIBFPUSG-NWDGAFQWSA-N 2 1 263.341 2.154 20 5 CEBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000104086540 364676140 /nfs/dbraw/zinc/67/61/40/364676140.db2.gz PFWPYUGLFAARQL-UHFFFAOYSA-N 2 1 291.395 2.411 20 5 CEBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842154 365181504 /nfs/dbraw/zinc/18/15/04/365181504.db2.gz IIIYMZJLVCKZEZ-AWEZNQCLSA-N 2 1 277.368 2.368 20 5 CEBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842154 365181505 /nfs/dbraw/zinc/18/15/05/365181505.db2.gz IIIYMZJLVCKZEZ-AWEZNQCLSA-N 2 1 277.368 2.368 20 5 CEBDMP C[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842154 365181507 /nfs/dbraw/zinc/18/15/07/365181507.db2.gz IIIYMZJLVCKZEZ-AWEZNQCLSA-N 2 1 277.368 2.368 20 5 CEBDMP C[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842154 365181508 /nfs/dbraw/zinc/18/15/08/365181508.db2.gz IIIYMZJLVCKZEZ-AWEZNQCLSA-N 2 1 277.368 2.368 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681203 368767354 /nfs/dbraw/zinc/76/73/54/368767354.db2.gz OOZIJMBPJGEXBO-WCQYABFASA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681203 368767359 /nfs/dbraw/zinc/76/73/59/368767359.db2.gz OOZIJMBPJGEXBO-WCQYABFASA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227374779 370369917 /nfs/dbraw/zinc/36/99/17/370369917.db2.gz CXASYQGXAZKBDH-JSGCOSHPSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227374779 370369921 /nfs/dbraw/zinc/36/99/21/370369921.db2.gz CXASYQGXAZKBDH-JSGCOSHPSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000227374779 370369925 /nfs/dbraw/zinc/36/99/25/370369925.db2.gz CXASYQGXAZKBDH-JSGCOSHPSA-N 2 1 277.368 2.476 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293794233 377762332 /nfs/dbraw/zinc/76/23/32/377762332.db2.gz QSGGQHJRBNXKGG-VXGBXAGGSA-N 2 1 292.383 2.169 20 5 CEBDMP C[NH2+]CCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415139007 394902748 /nfs/dbraw/zinc/90/27/48/394902748.db2.gz WGTNAMOFTBGDAN-VMPITWQZSA-N 2 1 263.341 2.149 20 5 CEBDMP C[NH2+]CCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415139007 394902751 /nfs/dbraw/zinc/90/27/51/394902751.db2.gz WGTNAMOFTBGDAN-VMPITWQZSA-N 2 1 263.341 2.149 20 5 CEBDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021044655 171294237 /nfs/dbraw/zinc/29/42/37/171294237.db2.gz JYDHJFFKZJZMGZ-UHFFFAOYSA-N 2 1 295.383 2.425 20 5 CEBDMP Cc1c(C[NH2+][C@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430598768 271398056 /nfs/dbraw/zinc/39/80/56/271398056.db2.gz PBHFLXNIVJVAOG-CQSZACIVSA-N 2 1 265.357 2.366 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000580782062 322344432 /nfs/dbraw/zinc/34/44/32/322344432.db2.gz SDOVGRLXBZICCY-YPMHNXCESA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000580782062 322344434 /nfs/dbraw/zinc/34/44/34/322344434.db2.gz SDOVGRLXBZICCY-YPMHNXCESA-N 2 1 263.341 2.215 20 5 CEBDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000925779476 628803986 /nfs/dbraw/zinc/80/39/86/628803986.db2.gz ODEDBVSHLTXSPL-PWSUYJOCSA-N 2 1 299.321 2.490 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484647 643732982 /nfs/dbraw/zinc/73/29/82/643732982.db2.gz ACUQZYKIWVTAFD-GFCCVEGCSA-N 2 1 293.367 2.164 20 5 CEBDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222628 815627191 /nfs/dbraw/zinc/62/71/91/815627191.db2.gz YBZQRUCUGVAFKM-RYUDHWBXSA-N 2 1 265.357 2.052 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001173224819 815629356 /nfs/dbraw/zinc/62/93/56/815629356.db2.gz HBSBATUUNXUTPL-IOASZLSFSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001173224819 815629357 /nfs/dbraw/zinc/62/93/57/815629357.db2.gz HBSBATUUNXUTPL-IOASZLSFSA-N 2 1 291.395 2.456 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000124499461 344315162 /nfs/dbraw/zinc/31/51/62/344315162.db2.gz VKZUKEAGSZJXKG-GXFFZTMASA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000124499461 344315164 /nfs/dbraw/zinc/31/51/64/344315164.db2.gz VKZUKEAGSZJXKG-GXFFZTMASA-N 2 1 263.341 2.215 20 5 CEBDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123140868 232206363 /nfs/dbraw/zinc/20/63/63/232206363.db2.gz SRCJYJNHPCUSFK-JSGCOSHPSA-N 2 1 277.368 2.210 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000594736087 345681774 /nfs/dbraw/zinc/68/17/74/345681774.db2.gz PGMDGDXECKLAAB-SNPRPXQTSA-N 2 1 289.379 2.258 20 5 CEBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000596425690 346020207 /nfs/dbraw/zinc/02/02/07/346020207.db2.gz VBIRXCFNFBLOEG-UHFFFAOYSA-N 2 1 298.362 2.029 20 5 CEBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000596425690 346020210 /nfs/dbraw/zinc/02/02/10/346020210.db2.gz VBIRXCFNFBLOEG-UHFFFAOYSA-N 2 1 298.362 2.029 20 5 CEBDMP C[N@@H+]1C[C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000618826186 349047050 /nfs/dbraw/zinc/04/70/50/349047050.db2.gz SBDBPJZXXHVCQB-MURIBYQFSA-N 2 1 287.363 2.101 20 5 CEBDMP C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000570527693 299263201 /nfs/dbraw/zinc/26/32/01/299263201.db2.gz QZGXLPWESFQWMK-RISCZKNCSA-N 2 1 277.368 2.369 20 5 CEBDMP Cc1c(C[N@@H+](C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000093874384 364239233 /nfs/dbraw/zinc/23/92/33/364239233.db2.gz IAXGYVKQYYFBAU-UHFFFAOYSA-N 2 1 265.357 2.320 20 5 CEBDMP Cc1c(C[N@H+](C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000093874384 364239239 /nfs/dbraw/zinc/23/92/39/364239239.db2.gz IAXGYVKQYYFBAU-UHFFFAOYSA-N 2 1 265.357 2.320 20 5 CEBDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246958075 371038093 /nfs/dbraw/zinc/03/80/93/371038093.db2.gz LAVJXZSVMBTOOJ-WFASDCNBSA-N 2 1 277.368 2.415 20 5 CEBDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246958075 371038097 /nfs/dbraw/zinc/03/80/97/371038097.db2.gz LAVJXZSVMBTOOJ-WFASDCNBSA-N 2 1 277.368 2.415 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000261736927 371714091 /nfs/dbraw/zinc/71/40/91/371714091.db2.gz LTBRUEWFNBIDGZ-OAHLLOKOSA-N 2 1 275.352 2.089 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000261736927 371714093 /nfs/dbraw/zinc/71/40/93/371714093.db2.gz LTBRUEWFNBIDGZ-OAHLLOKOSA-N 2 1 275.352 2.089 20 5 CEBDMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414805242 375991837 /nfs/dbraw/zinc/99/18/37/375991837.db2.gz PKPKCUDIBLSYII-MNOVXSKESA-N 2 1 269.370 2.263 20 5 CEBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCC[NH2+]C1 ZINC000420383646 376683635 /nfs/dbraw/zinc/68/36/35/376683635.db2.gz ZTHUNBXXAUAIFI-CQSZACIVSA-N 2 1 291.395 2.459 20 5 CEBDMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422943412 376871231 /nfs/dbraw/zinc/87/12/31/376871231.db2.gz LJKCPDMSJVEZQT-WCQYABFASA-N 2 1 263.341 2.073 20 5 CEBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423259207 377179159 /nfs/dbraw/zinc/17/91/59/377179159.db2.gz DGBQQJQCUWKQBD-OCCSQVGLSA-N 2 1 279.384 2.489 20 5 CEBDMP CC1(C)C[C@H]([NH2+]CC2C[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423336661 377268571 /nfs/dbraw/zinc/26/85/71/377268571.db2.gz XXCGSDIAPSSMMZ-AWEZNQCLSA-N 2 1 275.352 2.126 20 5 CEBDMP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]C1 ZINC000414857144 394773812 /nfs/dbraw/zinc/77/38/12/394773812.db2.gz OYSIIWBXFSBAQP-QWRGUYRKSA-N 2 1 281.331 2.212 20 5 CEBDMP C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000414904140 394798047 /nfs/dbraw/zinc/79/80/47/394798047.db2.gz MVWPUJBUBSUGOD-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423368719 394903352 /nfs/dbraw/zinc/90/33/52/394903352.db2.gz FJODAWBATLIJSC-WZRBSPASSA-N 2 1 263.341 2.386 20 5 CEBDMP CC1(C)C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cc([N+](=O)[O-])ccc21 ZINC000423455745 394924752 /nfs/dbraw/zinc/92/47/52/394924752.db2.gz MSPFWGWVVUHQCG-OSRDXIQISA-N 2 1 287.363 2.125 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346695193 154290454 /nfs/dbraw/zinc/29/04/54/154290454.db2.gz YUFZNHNVLQDLKM-YPMHNXCESA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000346695193 154290461 /nfs/dbraw/zinc/29/04/61/154290461.db2.gz YUFZNHNVLQDLKM-YPMHNXCESA-N 2 1 263.341 2.072 20 5 CEBDMP CC[C@@H]([NH2+]CCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000420395211 270533945 /nfs/dbraw/zinc/53/39/45/270533945.db2.gz DDEIZUYUYDAJFU-CYBMUJFWSA-N 2 1 251.330 2.245 20 5 CEBDMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423368717 270905321 /nfs/dbraw/zinc/90/53/21/270905321.db2.gz FJODAWBATLIJSC-NQBHXWOUSA-N 2 1 263.341 2.386 20 5 CEBDMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000430565172 271389914 /nfs/dbraw/zinc/38/99/14/271389914.db2.gz FALMKMRDRSPGBZ-CYBMUJFWSA-N 2 1 251.330 2.058 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781929 275039855 /nfs/dbraw/zinc/03/98/55/275039855.db2.gz NTCMYRKJLNEGQQ-UONOGXRCSA-N 2 1 289.379 2.416 20 5 CEBDMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000424378790 281153648 /nfs/dbraw/zinc/15/36/48/281153648.db2.gz NTNNUZXCTJSZRD-VTGPQGOBSA-N 2 1 275.352 2.468 20 5 CEBDMP [NH3+]C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347170224 295251404 /nfs/dbraw/zinc/25/14/04/295251404.db2.gz NMMSMRBTHGMXCE-IRBQFCFKSA-N 2 1 275.352 2.279 20 5 CEBDMP [NH3+]C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000347170224 295251406 /nfs/dbraw/zinc/25/14/06/295251406.db2.gz NMMSMRBTHGMXCE-IRBQFCFKSA-N 2 1 275.352 2.279 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262039316 527400664 /nfs/dbraw/zinc/40/06/64/527400664.db2.gz OWYCROGGJMFBJF-UHFFFAOYSA-N 2 1 275.352 2.170 20 5 CEBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261958479 629395245 /nfs/dbraw/zinc/39/52/45/629395245.db2.gz GYJNIXGWAJJYAJ-HNNXBMFYSA-N 2 1 277.368 2.069 20 5 CEBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261958479 629395251 /nfs/dbraw/zinc/39/52/51/629395251.db2.gz GYJNIXGWAJJYAJ-HNNXBMFYSA-N 2 1 277.368 2.069 20 5 CEBDMP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903175463 634998717 /nfs/dbraw/zinc/99/87/17/634998717.db2.gz SIVKRVMQHNHYDO-RYUDHWBXSA-N 2 1 295.383 2.452 20 5 CEBDMP [NH3+]CCCCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903881004 635325175 /nfs/dbraw/zinc/32/51/75/635325175.db2.gz ANCNVAUHMLLOLS-UHFFFAOYSA-N 2 1 277.368 2.472 20 5 CEBDMP CC1CC[NH+](Cc2ccccc2C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905045392 635786551 /nfs/dbraw/zinc/78/65/51/635786551.db2.gz JCEMDQDAXBZNJI-UHFFFAOYSA-N 2 1 291.395 2.285 20 5 CEBDMP Cc1c(C[NH2+]CC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000697919573 806757412 /nfs/dbraw/zinc/75/74/12/806757412.db2.gz HWJBDQUYRGCIOM-LLVKDONJSA-N 2 1 265.357 2.333 20 5 CEBDMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCC[N+](C)(C)C)C1 ZINC001224776476 806952758 /nfs/dbraw/zinc/95/27/58/806952758.db2.gz WEVWICKIHLDJCY-CVEARBPZSA-N 2 1 292.447 2.330 20 5 CEBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644468 361917723 /nfs/dbraw/zinc/91/77/23/361917723.db2.gz YZPNEGIXXKQZIR-AWEZNQCLSA-N 2 1 277.368 2.335 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000037644468 361917728 /nfs/dbraw/zinc/91/77/28/361917728.db2.gz YZPNEGIXXKQZIR-AWEZNQCLSA-N 2 1 277.368 2.335 20 5 CEBDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668392 361919129 /nfs/dbraw/zinc/91/91/29/361919129.db2.gz RTALSCDTFWTLDZ-LALPHHSUSA-N 2 1 277.368 2.413 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668392 361919131 /nfs/dbraw/zinc/91/91/31/361919131.db2.gz RTALSCDTFWTLDZ-LALPHHSUSA-N 2 1 277.368 2.413 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122284694 344306034 /nfs/dbraw/zinc/30/60/34/344306034.db2.gz YAQZHOSSXLACAI-YPMHNXCESA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000122284694 344306035 /nfs/dbraw/zinc/30/60/35/344306035.db2.gz YAQZHOSSXLACAI-YPMHNXCESA-N 2 1 263.341 2.154 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000591278459 345236763 /nfs/dbraw/zinc/23/67/63/345236763.db2.gz DMDXDZLMNBCGIJ-ZDUSSCGKSA-N 2 1 293.367 2.225 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCC[N@H+]1C ZINC000598993932 346443590 /nfs/dbraw/zinc/44/35/90/346443590.db2.gz USNOXUNRZMOOLW-CQSZACIVSA-N 2 1 263.341 2.087 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCC[N@@H+]1C ZINC000598993932 346443592 /nfs/dbraw/zinc/44/35/92/346443592.db2.gz USNOXUNRZMOOLW-CQSZACIVSA-N 2 1 263.341 2.087 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074507 363026843 /nfs/dbraw/zinc/02/68/43/363026843.db2.gz SKIOAHYSDCMWAM-YPMHNXCESA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074507 363026850 /nfs/dbraw/zinc/02/68/50/363026850.db2.gz SKIOAHYSDCMWAM-YPMHNXCESA-N 2 1 263.341 2.154 20 5 CEBDMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070170916 363043678 /nfs/dbraw/zinc/04/36/78/363043678.db2.gz FZKJVHKTUCANIX-CQSZACIVSA-N 2 1 277.368 2.198 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000123694933 187104835 /nfs/dbraw/zinc/10/48/35/187104835.db2.gz ODXBOILVDCZMMY-CQSZACIVSA-N 2 1 265.357 2.400 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000123694933 187104836 /nfs/dbraw/zinc/10/48/36/187104836.db2.gz ODXBOILVDCZMMY-CQSZACIVSA-N 2 1 265.357 2.400 20 5 CEBDMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000271508098 191182352 /nfs/dbraw/zinc/18/23/52/191182352.db2.gz MVZLMZHBSGTWMG-BBRMVZONSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000570527692 299263275 /nfs/dbraw/zinc/26/32/75/299263275.db2.gz QZGXLPWESFQWMK-FZMZJTMJSA-N 2 1 277.368 2.369 20 5 CEBDMP C[N@H+]1C[C@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000601154672 367215449 /nfs/dbraw/zinc/21/54/49/367215449.db2.gz SFLWNMALBOMFOD-TXEJJXNPSA-N 2 1 298.346 2.141 20 5 CEBDMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000601154672 367215452 /nfs/dbraw/zinc/21/54/52/367215452.db2.gz SFLWNMALBOMFOD-TXEJJXNPSA-N 2 1 298.346 2.141 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346693083 368774609 /nfs/dbraw/zinc/77/46/09/368774609.db2.gz KRWMZBROZUUYKF-QMDMKJMKSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346693083 368774614 /nfs/dbraw/zinc/77/46/14/368774614.db2.gz KRWMZBROZUUYKF-QMDMKJMKSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346641291 368746355 /nfs/dbraw/zinc/74/63/55/368746355.db2.gz BLACDKLDSAETDU-RMKKPPKKSA-N 2 1 275.352 2.277 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000226927654 370353429 /nfs/dbraw/zinc/35/34/29/370353429.db2.gz WFWVRLNJSVWLIS-JSGCOSHPSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000226927654 370353434 /nfs/dbraw/zinc/35/34/34/370353434.db2.gz WFWVRLNJSVWLIS-JSGCOSHPSA-N 2 1 277.368 2.462 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000230045598 370437482 /nfs/dbraw/zinc/43/74/82/370437482.db2.gz OUONGGXCHJHWHU-VHDGCEQUSA-N 2 1 275.352 2.154 20 5 CEBDMP CC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000231883700 370497473 /nfs/dbraw/zinc/49/74/73/370497473.db2.gz ONXDCPRQHIGDAW-UHFFFAOYSA-N 2 1 277.368 2.477 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261575325 371657041 /nfs/dbraw/zinc/65/70/41/371657041.db2.gz BLURZDQVJOZHID-BXUZGUMPSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261575325 371657045 /nfs/dbraw/zinc/65/70/45/371657045.db2.gz BLURZDQVJOZHID-BXUZGUMPSA-N 2 1 263.341 2.327 20 5 CEBDMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423267018 377185021 /nfs/dbraw/zinc/18/50/21/377185021.db2.gz DOIGTKQCANKYLS-WDEREUQCSA-N 2 1 251.330 2.101 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346821972 218024051 /nfs/dbraw/zinc/02/40/51/218024051.db2.gz DYXJGVNLQWCQQH-KKUMJFAQSA-N 2 1 289.379 2.462 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414942916 394814530 /nfs/dbraw/zinc/81/45/30/394814530.db2.gz DTCYYZWANRUACU-AAEUAGOBSA-N 2 1 263.341 2.133 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423384394 394908150 /nfs/dbraw/zinc/90/81/50/394908150.db2.gz QAHKNPVJAGSHJP-NTZNESFSSA-N 2 1 263.341 2.386 20 5 CEBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040601374 174351546 /nfs/dbraw/zinc/35/15/46/174351546.db2.gz RWFZLBQSEWVAJD-AWEZNQCLSA-N 2 1 277.368 2.069 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925732936 628687634 /nfs/dbraw/zinc/68/76/34/628687634.db2.gz HGKLVLHFYLOSEL-UONOGXRCSA-N 2 1 275.352 2.263 20 5 CEBDMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953786 633797690 /nfs/dbraw/zinc/79/76/90/633797690.db2.gz RDRIZRZYHVJTCF-NSHDSACASA-N 2 1 280.372 2.216 20 5 CEBDMP CC(C)([NH3+])CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000903939141 635348923 /nfs/dbraw/zinc/34/89/23/635348923.db2.gz RIHUZFCTCOAMBL-UHFFFAOYSA-N 2 1 271.748 2.465 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964594 635398481 /nfs/dbraw/zinc/39/84/81/635398481.db2.gz QZSRKORIHDACMZ-YRGRVCCFSA-N 2 1 277.368 2.113 20 5 CEBDMP C[C@@H]1C[C@@H](CC[NH2+]CC[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000905186571 635855852 /nfs/dbraw/zinc/85/58/52/635855852.db2.gz HXPIAAWGWVFJEM-GDBMZVCRSA-N 2 1 291.395 2.153 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923503420 643739607 /nfs/dbraw/zinc/73/96/07/643739607.db2.gz IBMKVEPBGSLQEB-NEPJUHHUSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520765 643749134 /nfs/dbraw/zinc/74/91/34/643749134.db2.gz WEKFQDGVCJJBLG-FPMFFAJLSA-N 2 1 275.352 2.197 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520765 643749135 /nfs/dbraw/zinc/74/91/35/643749135.db2.gz WEKFQDGVCJJBLG-FPMFFAJLSA-N 2 1 275.352 2.197 20 5 CEBDMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000853799454 643905207 /nfs/dbraw/zinc/90/52/07/643905207.db2.gz QRZOEOFKCZDQLO-UHFFFAOYSA-N 2 1 298.362 2.029 20 5 CEBDMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000853799454 643905213 /nfs/dbraw/zinc/90/52/13/643905213.db2.gz QRZOEOFKCZDQLO-UHFFFAOYSA-N 2 1 298.362 2.029 20 5 CEBDMP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000882958690 652288507 /nfs/dbraw/zinc/28/85/07/652288507.db2.gz HVPZPTSJVMUXSQ-GFCCVEGCSA-N 2 1 286.335 2.071 20 5 CEBDMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000882958690 652288511 /nfs/dbraw/zinc/28/85/11/652288511.db2.gz HVPZPTSJVMUXSQ-GFCCVEGCSA-N 2 1 286.335 2.071 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723697856 802926318 /nfs/dbraw/zinc/92/63/18/802926318.db2.gz CXUSQCCHNWTCRS-NEPJUHHUSA-N 2 1 263.341 2.327 20 5 CEBDMP CCC[NH+](CCC)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965637 811317477 /nfs/dbraw/zinc/31/74/77/811317477.db2.gz BKUCHYGECGZKDT-KBPBESRZSA-N 2 1 271.405 2.143 20 5 CEBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168973983 811322199 /nfs/dbraw/zinc/32/21/99/811322199.db2.gz PVLGKCZAVOHZIM-ILXRZTDVSA-N 2 1 283.416 2.286 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC[NH+](C)C ZINC001173230011 815630622 /nfs/dbraw/zinc/63/06/22/815630622.db2.gz WZWZJIOHHDOEHL-CYBMUJFWSA-N 2 1 279.384 2.409 20 5 CEBDMP C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000057994221 362603798 /nfs/dbraw/zinc/60/37/98/362603798.db2.gz ILUDLGAYOXXGJH-CYBMUJFWSA-N 2 1 277.368 2.416 20 5 CEBDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000134445401 366324825 /nfs/dbraw/zinc/32/48/25/366324825.db2.gz VWNLPHAPNLNJAQ-YPMHNXCESA-N 2 1 293.367 2.033 20 5 CEBDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000134445401 366324834 /nfs/dbraw/zinc/32/48/34/366324834.db2.gz VWNLPHAPNLNJAQ-YPMHNXCESA-N 2 1 293.367 2.033 20 5 CEBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842156 365183167 /nfs/dbraw/zinc/18/31/67/365183167.db2.gz IIIYMZJLVCKZEZ-CQSZACIVSA-N 2 1 277.368 2.368 20 5 CEBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842156 365183169 /nfs/dbraw/zinc/18/31/69/365183169.db2.gz IIIYMZJLVCKZEZ-CQSZACIVSA-N 2 1 277.368 2.368 20 5 CEBDMP C[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842156 365183171 /nfs/dbraw/zinc/18/31/71/365183171.db2.gz IIIYMZJLVCKZEZ-CQSZACIVSA-N 2 1 277.368 2.368 20 5 CEBDMP C[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842156 365183173 /nfs/dbraw/zinc/18/31/73/365183173.db2.gz IIIYMZJLVCKZEZ-CQSZACIVSA-N 2 1 277.368 2.368 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346635716 368744308 /nfs/dbraw/zinc/74/43/08/368744308.db2.gz HMXKGERWUOJJKT-YPMHNXCESA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414805665 375991749 /nfs/dbraw/zinc/99/17/49/375991749.db2.gz MDOQCMNHCYDOQJ-RISCZKNCSA-N 2 1 277.368 2.243 20 5 CEBDMP C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000346993806 218083025 /nfs/dbraw/zinc/08/30/25/218083025.db2.gz AVCRZMQZIHLGLR-UDGJJRABSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000346993806 218083027 /nfs/dbraw/zinc/08/30/27/218083027.db2.gz AVCRZMQZIHLGLR-UDGJJRABSA-N 2 1 275.352 2.277 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347035376 218100029 /nfs/dbraw/zinc/10/00/29/218100029.db2.gz GOLUCJGHBCRMBE-BXUZGUMPSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347035376 218100032 /nfs/dbraw/zinc/10/00/32/218100032.db2.gz GOLUCJGHBCRMBE-BXUZGUMPSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347108562 218123993 /nfs/dbraw/zinc/12/39/93/218123993.db2.gz OPPFJAPKMRVBID-UHFFFAOYSA-N 2 1 263.341 2.087 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347108562 218123995 /nfs/dbraw/zinc/12/39/95/218123995.db2.gz OPPFJAPKMRVBID-UHFFFAOYSA-N 2 1 263.341 2.087 20 5 CEBDMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000430551382 263259708 /nfs/dbraw/zinc/25/97/08/263259708.db2.gz PNYVUBXUIZCOHV-ZDUSSCGKSA-N 2 1 251.330 2.058 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397271514 270352193 /nfs/dbraw/zinc/35/21/93/270352193.db2.gz XKUZRQYWLGZADI-DYEKYZERSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000397271514 270352194 /nfs/dbraw/zinc/35/21/94/270352194.db2.gz XKUZRQYWLGZADI-DYEKYZERSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251834140 625091960 /nfs/dbraw/zinc/09/19/60/625091960.db2.gz PVPHLXLUIALNGP-WZRBSPASSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251834140 625091963 /nfs/dbraw/zinc/09/19/63/625091963.db2.gz PVPHLXLUIALNGP-WZRBSPASSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929842255 640452493 /nfs/dbraw/zinc/45/24/93/640452493.db2.gz RYRHVSARKVODFZ-CQSZACIVSA-N 2 1 283.416 2.240 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923503423 643739871 /nfs/dbraw/zinc/73/98/71/643739871.db2.gz IBMKVEPBGSLQEB-VXGBXAGGSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923501903 643741960 /nfs/dbraw/zinc/74/19/60/643741960.db2.gz WUHAPOLVXXIPME-QWRGUYRKSA-N 2 1 281.331 2.151 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC000723892301 802964847 /nfs/dbraw/zinc/96/48/47/802964847.db2.gz RDPVHHXGYFRDGX-DGCLKSJQSA-N 2 1 263.341 2.012 20 5 CEBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000037645063 361916892 /nfs/dbraw/zinc/91/68/92/361916892.db2.gz GTVHSIUNZNRYFC-CYBMUJFWSA-N 2 1 293.367 2.035 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000037645063 361916901 /nfs/dbraw/zinc/91/69/01/361916901.db2.gz GTVHSIUNZNRYFC-CYBMUJFWSA-N 2 1 293.367 2.035 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000251788966 344637903 /nfs/dbraw/zinc/63/79/03/344637903.db2.gz NLRHZXCQZIMZHY-TZMCWYRMSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000251788966 344637906 /nfs/dbraw/zinc/63/79/06/344637906.db2.gz NLRHZXCQZIMZHY-TZMCWYRMSA-N 2 1 277.368 2.462 20 5 CEBDMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000404762982 344882180 /nfs/dbraw/zinc/88/21/80/344882180.db2.gz KCQNXYIJSMWXDN-XDTLVQLUSA-N 2 1 263.341 2.371 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000070074641 363027838 /nfs/dbraw/zinc/02/78/38/363027838.db2.gz RDDWWRRFILQILX-TZMCWYRMSA-N 2 1 277.368 2.197 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070534417 363093566 /nfs/dbraw/zinc/09/35/66/363093566.db2.gz TWYYVVLLMAPBSK-LBPRGKRZSA-N 2 1 263.341 2.156 20 5 CEBDMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000020091893 361578589 /nfs/dbraw/zinc/57/85/89/361578589.db2.gz RSDKVUUPOHQHDF-NSHDSACASA-N 2 1 251.330 2.197 20 5 CEBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000093861170 364235992 /nfs/dbraw/zinc/23/59/92/364235992.db2.gz UQVLTSYTINIFTB-UHFFFAOYSA-N 2 1 251.330 2.012 20 5 CEBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000093861170 364235998 /nfs/dbraw/zinc/23/59/98/364235998.db2.gz UQVLTSYTINIFTB-UHFFFAOYSA-N 2 1 251.330 2.012 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681201 368767090 /nfs/dbraw/zinc/76/70/90/368767090.db2.gz OOZIJMBPJGEXBO-DGCLKSJQSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681201 368767096 /nfs/dbraw/zinc/76/70/96/368767096.db2.gz OOZIJMBPJGEXBO-DGCLKSJQSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000350047109 369491597 /nfs/dbraw/zinc/49/15/97/369491597.db2.gz HZSMFKIEHRPHOM-GXTWGEPZSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000350047109 369491602 /nfs/dbraw/zinc/49/16/02/369491602.db2.gz HZSMFKIEHRPHOM-GXTWGEPZSA-N 2 1 277.368 2.476 20 5 CEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352517244 369769016 /nfs/dbraw/zinc/76/90/16/369769016.db2.gz CIIVGKJCSSFNBA-CYBMUJFWSA-N 2 1 293.367 2.177 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508802 371096698 /nfs/dbraw/zinc/09/66/98/371096698.db2.gz MBSLVTFSPSTQCB-UHFFFAOYSA-N 2 1 289.379 2.213 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347213294 218158205 /nfs/dbraw/zinc/15/82/05/218158205.db2.gz PLOSFWRDVJISJA-JSGCOSHPSA-N 2 1 277.368 2.462 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422722253 394740183 /nfs/dbraw/zinc/74/01/83/394740183.db2.gz XJHBWPUUEQOTJP-RISCZKNCSA-N 2 1 293.367 2.081 20 5 CEBDMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414848628 394769460 /nfs/dbraw/zinc/76/94/60/394769460.db2.gz QFSWQONNKBREFB-LBPRGKRZSA-N 2 1 265.357 2.115 20 5 CEBDMP C[C@@H](CC[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414892175 394791621 /nfs/dbraw/zinc/79/16/21/394791621.db2.gz WSSVUBPRWLHRLS-QMMMGPOBSA-N 2 1 289.282 2.023 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414938317 394811586 /nfs/dbraw/zinc/81/15/86/394811586.db2.gz IKEAQWJRBDEWNP-UHFFFAOYSA-N 2 1 263.341 2.135 20 5 CEBDMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000423337308 394891449 /nfs/dbraw/zinc/89/14/49/394891449.db2.gz VFLJOLNTJCYRBB-AWEZNQCLSA-N 2 1 275.352 2.443 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423552416 394950711 /nfs/dbraw/zinc/95/07/11/394950711.db2.gz JXGHDELPFTXKFG-TZMCWYRMSA-N 2 1 277.368 2.258 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000420298899 395304064 /nfs/dbraw/zinc/30/40/64/395304064.db2.gz ADKQERKUXVDMNU-LLVKDONJSA-N 2 1 263.341 2.435 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527974 175192531 /nfs/dbraw/zinc/19/25/31/175192531.db2.gz PYQSDVHICXZYPW-NWDGAFQWSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527974 175192533 /nfs/dbraw/zinc/19/25/33/175192533.db2.gz PYQSDVHICXZYPW-NWDGAFQWSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049553542 524165594 /nfs/dbraw/zinc/16/55/94/524165594.db2.gz UXWFJRUKPFZHCG-LLVKDONJSA-N 2 1 251.330 2.025 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163919503 525708937 /nfs/dbraw/zinc/70/89/37/525708937.db2.gz BAUSBYCXBLGEEJ-SMDDNHRTSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163919503 525708948 /nfs/dbraw/zinc/70/89/48/525708948.db2.gz BAUSBYCXBLGEEJ-SMDDNHRTSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163919625 525710090 /nfs/dbraw/zinc/71/00/90/525710090.db2.gz BAUSBYCXBLGEEJ-BXUZGUMPSA-N 2 1 277.368 2.320 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163919625 525710101 /nfs/dbraw/zinc/71/01/01/525710101.db2.gz BAUSBYCXBLGEEJ-BXUZGUMPSA-N 2 1 277.368 2.320 20 5 CEBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000905262841 636182098 /nfs/dbraw/zinc/18/20/98/636182098.db2.gz KGJHPJXNDCOIQJ-INIZCTEOSA-N 2 1 291.395 2.155 20 5 CEBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000905262841 636182101 /nfs/dbraw/zinc/18/21/01/636182101.db2.gz KGJHPJXNDCOIQJ-INIZCTEOSA-N 2 1 291.395 2.155 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923500438 643742359 /nfs/dbraw/zinc/74/23/59/643742359.db2.gz QNDMSZYOSDAQRY-MNOVXSKESA-N 2 1 281.331 2.151 20 5 CEBDMP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000882958691 652289071 /nfs/dbraw/zinc/28/90/71/652289071.db2.gz HVPZPTSJVMUXSQ-LBPRGKRZSA-N 2 1 286.335 2.071 20 5 CEBDMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000882958691 652289078 /nfs/dbraw/zinc/28/90/78/652289078.db2.gz HVPZPTSJVMUXSQ-LBPRGKRZSA-N 2 1 286.335 2.071 20 5 CEBDMP C[N+](C)(C)CCCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224618117 806867472 /nfs/dbraw/zinc/86/74/72/806867472.db2.gz CLWIHHKYBCLLRL-KRWDZBQOSA-N 2 1 277.432 2.374 20 5 CEBDMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967350 811318900 /nfs/dbraw/zinc/31/89/00/811318900.db2.gz OYPVJUFISWDSPN-ZIAGYGMSSA-N 2 1 271.405 2.143 20 5 CEBDMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967350 811318910 /nfs/dbraw/zinc/31/89/10/811318910.db2.gz OYPVJUFISWDSPN-ZIAGYGMSSA-N 2 1 271.405 2.143 20 5 CEBDMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901481 815539473 /nfs/dbraw/zinc/53/94/73/815539473.db2.gz IPEJDLMBCQBZCJ-DOMZBBRYSA-N 2 1 291.395 2.369 20 5 CEBDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901484 815539927 /nfs/dbraw/zinc/53/99/27/815539927.db2.gz IPEJDLMBCQBZCJ-WFASDCNBSA-N 2 1 291.395 2.369 20 5 CEBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090909831 344146137 /nfs/dbraw/zinc/14/61/37/344146137.db2.gz BNGNZZMGSYJPGY-LSDHHAIUSA-N 2 1 289.379 2.354 20 5 CEBDMP CN(CC1C[NH+](C)C1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601194588 346783627 /nfs/dbraw/zinc/78/36/27/346783627.db2.gz KYESBVIXWWSLDR-UHFFFAOYSA-N 2 1 286.335 2.141 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170437 363043852 /nfs/dbraw/zinc/04/38/52/363043852.db2.gz TXYFNGBEYZPDCL-GFCCVEGCSA-N 2 1 293.367 2.164 20 5 CEBDMP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163449693 367240874 /nfs/dbraw/zinc/24/08/74/367240874.db2.gz JNFHSTYBIPYQCE-YPMHNXCESA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000163449693 367240876 /nfs/dbraw/zinc/24/08/76/367240876.db2.gz JNFHSTYBIPYQCE-YPMHNXCESA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346693081 368774767 /nfs/dbraw/zinc/77/47/67/368774767.db2.gz KRWMZBROZUUYKF-JRCXTIHVSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346693081 368774769 /nfs/dbraw/zinc/77/47/69/368774769.db2.gz KRWMZBROZUUYKF-JRCXTIHVSA-N 2 1 275.352 2.277 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000261736925 371714029 /nfs/dbraw/zinc/71/40/29/371714029.db2.gz LTBRUEWFNBIDGZ-HNNXBMFYSA-N 2 1 275.352 2.089 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000261736925 371714032 /nfs/dbraw/zinc/71/40/32/371714032.db2.gz LTBRUEWFNBIDGZ-HNNXBMFYSA-N 2 1 275.352 2.089 20 5 CEBDMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414680512 375914754 /nfs/dbraw/zinc/91/47/54/375914754.db2.gz UMAWKFQJPWEVEE-CHWSQXEVSA-N 2 1 277.368 2.415 20 5 CEBDMP C[NH2+]CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423202231 377118433 /nfs/dbraw/zinc/11/84/33/377118433.db2.gz QJBKBPKXSRCJFG-AWEZNQCLSA-N 2 1 263.341 2.171 20 5 CEBDMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093465642 394667377 /nfs/dbraw/zinc/66/73/77/394667377.db2.gz CGAVULCQWDLOAL-YPMHNXCESA-N 2 1 263.341 2.215 20 5 CEBDMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000093465641 394667498 /nfs/dbraw/zinc/66/74/98/394667498.db2.gz CGAVULCQWDLOAL-AAEUAGOBSA-N 2 1 263.341 2.215 20 5 CEBDMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000414921173 394803724 /nfs/dbraw/zinc/80/37/24/394803724.db2.gz FEIMRQLTVFXQII-VHSXEESVSA-N 2 1 255.343 2.016 20 5 CEBDMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000423341911 394892433 /nfs/dbraw/zinc/89/24/33/394892433.db2.gz YEUUQNWPJVQGPI-LLVKDONJSA-N 2 1 263.341 2.435 20 5 CEBDMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423444429 394923280 /nfs/dbraw/zinc/92/32/80/394923280.db2.gz LUSSDPGVPMHCTD-CWSCBRNRSA-N 2 1 251.330 2.371 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420283392 395293845 /nfs/dbraw/zinc/29/38/45/395293845.db2.gz CCUGSAZEFZOHPI-NWDGAFQWSA-N 2 1 263.341 2.245 20 5 CEBDMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000430551053 263259683 /nfs/dbraw/zinc/25/96/83/263259683.db2.gz PNYVUBXUIZCOHV-CYBMUJFWSA-N 2 1 251.330 2.058 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430584859 271395003 /nfs/dbraw/zinc/39/50/03/271395003.db2.gz PKYDFKZYRFHZAM-QWHCGFSZSA-N 2 1 293.367 2.033 20 5 CEBDMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414938605 279298455 /nfs/dbraw/zinc/29/84/55/279298455.db2.gz YZOYHZFTDLFZRD-BZPMIXESSA-N 2 1 277.368 2.243 20 5 CEBDMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422946415 280975247 /nfs/dbraw/zinc/97/52/47/280975247.db2.gz ONHVAMVOKMQFCE-ZIAGYGMSSA-N 2 1 263.341 2.344 20 5 CEBDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC000841064133 632378252 /nfs/dbraw/zinc/37/82/52/632378252.db2.gz YXVVRUGMVGHCHM-ONGXEEELSA-N 2 1 283.759 2.478 20 5 CEBDMP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000903175461 634999274 /nfs/dbraw/zinc/99/92/74/634999274.db2.gz SIVKRVMQHNHYDO-NEPJUHHUSA-N 2 1 295.383 2.452 20 5 CEBDMP C[C@@H]1C[C@H](CC[NH2+]CC[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000905186574 635856409 /nfs/dbraw/zinc/85/64/09/635856409.db2.gz HXPIAAWGWVFJEM-ZBFHGGJFSA-N 2 1 291.395 2.153 20 5 CEBDMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923426644 643705265 /nfs/dbraw/zinc/70/52/65/643705265.db2.gz OZTNBSCNIYWYEK-HNNXBMFYSA-N 2 1 295.383 2.079 20 5 CEBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000723682777 802924882 /nfs/dbraw/zinc/92/48/82/802924882.db2.gz JWLAAAWMSXGDCQ-SNVBAGLBSA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222626 815628179 /nfs/dbraw/zinc/62/81/79/815628179.db2.gz YBZQRUCUGVAFKM-NEPJUHHUSA-N 2 1 265.357 2.052 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001173215634 815623837 /nfs/dbraw/zinc/62/38/37/815623837.db2.gz XMPKZOCJSKLKQT-UKRRQHHQSA-N 2 1 291.395 2.457 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592427592 345352286 /nfs/dbraw/zinc/35/22/86/345352286.db2.gz GDUCPXVORYVYTI-SWLSCSKDSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592427592 345352289 /nfs/dbraw/zinc/35/22/89/345352289.db2.gz GDUCPXVORYVYTI-SWLSCSKDSA-N 2 1 277.368 2.462 20 5 CEBDMP C[N@H+]1CCCC[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000598994430 346443563 /nfs/dbraw/zinc/44/35/63/346443563.db2.gz MQWYBEBRYKOQLJ-CYBMUJFWSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000598994430 346443565 /nfs/dbraw/zinc/44/35/65/346443565.db2.gz MQWYBEBRYKOQLJ-CYBMUJFWSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000598994430 346443567 /nfs/dbraw/zinc/44/35/67/346443567.db2.gz MQWYBEBRYKOQLJ-CYBMUJFWSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@H+]1CCCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602723608 347171597 /nfs/dbraw/zinc/17/15/97/347171597.db2.gz OCMCHIGTLDVNQT-HNNXBMFYSA-N 2 1 291.395 2.459 20 5 CEBDMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074556 363027100 /nfs/dbraw/zinc/02/71/00/363027100.db2.gz STXNJAHNRFYBAJ-WCQYABFASA-N 2 1 293.367 2.163 20 5 CEBDMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074556 363027104 /nfs/dbraw/zinc/02/71/04/363027104.db2.gz STXNJAHNRFYBAJ-WCQYABFASA-N 2 1 293.367 2.163 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170438 363043240 /nfs/dbraw/zinc/04/32/40/363043240.db2.gz TXYFNGBEYZPDCL-LBPRGKRZSA-N 2 1 293.367 2.164 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655272 364908254 /nfs/dbraw/zinc/90/82/54/364908254.db2.gz DXDHHFXNYVHXDQ-YPMHNXCESA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655272 364908259 /nfs/dbraw/zinc/90/82/59/364908259.db2.gz DXDHHFXNYVHXDQ-YPMHNXCESA-N 2 1 263.341 2.154 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764490 375955566 /nfs/dbraw/zinc/95/55/66/375955566.db2.gz DOFHLOIOBVRSIB-OKILXGFUSA-N 2 1 289.379 2.335 20 5 CEBDMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414798417 375982199 /nfs/dbraw/zinc/98/21/99/375982199.db2.gz JBDJWNZRWWETMY-IINYFYTJSA-N 2 1 281.331 2.341 20 5 CEBDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422922066 376861097 /nfs/dbraw/zinc/86/10/97/376861097.db2.gz RTTFBFWONVFWRJ-LLVKDONJSA-N 2 1 263.341 2.306 20 5 CEBDMP C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000423017614 376933541 /nfs/dbraw/zinc/93/35/41/376933541.db2.gz WUXBJQPEVSFMRU-IUODEOHRSA-N 2 1 277.368 2.258 20 5 CEBDMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414865141 394777774 /nfs/dbraw/zinc/77/77/74/394777774.db2.gz YYQUVDPMZMDRQD-AAEUAGOBSA-N 2 1 293.367 2.081 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414934784 394810919 /nfs/dbraw/zinc/81/09/19/394810919.db2.gz YEPDKDFAEOUBSZ-QWHCGFSZSA-N 2 1 293.367 2.353 20 5 CEBDMP CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000423008588 394878668 /nfs/dbraw/zinc/87/86/68/394878668.db2.gz AMFMMDLDCDRQRK-GJZGRUSLSA-N 2 1 277.368 2.258 20 5 CEBDMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423384393 394908445 /nfs/dbraw/zinc/90/84/45/394908445.db2.gz QAHKNPVJAGSHJP-NQBHXWOUSA-N 2 1 263.341 2.386 20 5 CEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352517245 395261228 /nfs/dbraw/zinc/26/12/28/395261228.db2.gz CIIVGKJCSSFNBA-ZDUSSCGKSA-N 2 1 293.367 2.177 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567889791 395539451 /nfs/dbraw/zinc/53/94/51/395539451.db2.gz USXASXXDUGXUQG-MRXNPFEDSA-N 2 1 289.379 2.213 20 5 CEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000430560044 271390878 /nfs/dbraw/zinc/39/08/78/271390878.db2.gz YNMMVSVYBCSNEB-HNNXBMFYSA-N 2 1 295.383 2.279 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430584857 271393783 /nfs/dbraw/zinc/39/37/83/271393783.db2.gz PKYDFKZYRFHZAM-CHWSQXEVSA-N 2 1 293.367 2.033 20 5 CEBDMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422946410 280975619 /nfs/dbraw/zinc/97/56/19/280975619.db2.gz ONHVAMVOKMQFCE-KBPBESRZSA-N 2 1 263.341 2.344 20 5 CEBDMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423288486 517404152 /nfs/dbraw/zinc/40/41/52/517404152.db2.gz SKSATALFAHJPSM-CYBMUJFWSA-N 2 1 263.341 2.299 20 5 CEBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420856 635632886 /nfs/dbraw/zinc/63/28/86/635632886.db2.gz IPVJGFZDPIBGHM-ACYLFWIKSA-N 2 1 287.363 2.149 20 5 CEBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420856 635632889 /nfs/dbraw/zinc/63/28/89/635632889.db2.gz IPVJGFZDPIBGHM-ACYLFWIKSA-N 2 1 287.363 2.149 20 5 CEBDMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CC[N+](=O)[O-])C1 ZINC000905046203 635786495 /nfs/dbraw/zinc/78/64/95/635786495.db2.gz ORASBRAMDIKSJT-AWEZNQCLSA-N 2 1 291.395 2.285 20 5 CEBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC[N+](=O)[O-])C1 ZINC000905046203 635786497 /nfs/dbraw/zinc/78/64/97/635786497.db2.gz ORASBRAMDIKSJT-AWEZNQCLSA-N 2 1 291.395 2.285 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923496767 643739273 /nfs/dbraw/zinc/73/92/73/643739273.db2.gz DDAONBWZTXYABT-KOLCDFICSA-N 2 1 269.370 2.073 20 5 CEBDMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740936 650883777 /nfs/dbraw/zinc/88/37/77/650883777.db2.gz LIJYJDSKYQRYAQ-GDBMZVCRSA-N 2 1 289.379 2.163 20 5 CEBDMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740936 650883781 /nfs/dbraw/zinc/88/37/81/650883781.db2.gz LIJYJDSKYQRYAQ-GDBMZVCRSA-N 2 1 289.379 2.163 20 5 CEBDMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740936 650883785 /nfs/dbraw/zinc/88/37/85/650883785.db2.gz LIJYJDSKYQRYAQ-GDBMZVCRSA-N 2 1 289.379 2.163 20 5 CEBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000877740936 650883789 /nfs/dbraw/zinc/88/37/89/650883789.db2.gz LIJYJDSKYQRYAQ-GDBMZVCRSA-N 2 1 289.379 2.163 20 5 CEBDMP CC[NH+](CC)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045704840 362165057 /nfs/dbraw/zinc/16/50/57/362165057.db2.gz JAMXRRZLVNEABE-ZDUSSCGKSA-N 2 1 279.384 2.457 20 5 CEBDMP CC[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602523653 347066229 /nfs/dbraw/zinc/06/62/29/347066229.db2.gz DUGLXNDLCXKZSF-HNNXBMFYSA-N 2 1 291.395 2.459 20 5 CEBDMP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000128453136 187371644 /nfs/dbraw/zinc/37/16/44/187371644.db2.gz RSQRECZNYINGDQ-CYBMUJFWSA-N 2 1 295.383 2.409 20 5 CEBDMP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000128453136 187371646 /nfs/dbraw/zinc/37/16/46/187371646.db2.gz RSQRECZNYINGDQ-CYBMUJFWSA-N 2 1 295.383 2.409 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000336839194 365910218 /nfs/dbraw/zinc/91/02/18/365910218.db2.gz ODZLQJBKRKLBLP-LLVKDONJSA-N 2 1 274.324 2.451 20 5 CEBDMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074559 363027085 /nfs/dbraw/zinc/02/70/85/363027085.db2.gz STXNJAHNRFYBAJ-YPMHNXCESA-N 2 1 293.367 2.163 20 5 CEBDMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000070074559 363027089 /nfs/dbraw/zinc/02/70/89/363027089.db2.gz STXNJAHNRFYBAJ-YPMHNXCESA-N 2 1 293.367 2.163 20 5 CEBDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000123648640 187102891 /nfs/dbraw/zinc/10/28/91/187102891.db2.gz ZUYPXXYTPOBHAI-AWEZNQCLSA-N 2 1 265.357 2.400 20 5 CEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000123648640 187102892 /nfs/dbraw/zinc/10/28/92/187102892.db2.gz ZUYPXXYTPOBHAI-AWEZNQCLSA-N 2 1 265.357 2.400 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346635713 368743874 /nfs/dbraw/zinc/74/38/74/368743874.db2.gz HMXKGERWUOJJKT-WCQYABFASA-N 2 1 263.341 2.072 20 5 CEBDMP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000223448461 370265635 /nfs/dbraw/zinc/26/56/35/370265635.db2.gz GKGFYNCFHLKGOQ-UHFFFAOYSA-N 2 1 295.383 2.423 20 5 CEBDMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000223448461 370265640 /nfs/dbraw/zinc/26/56/40/370265640.db2.gz GKGFYNCFHLKGOQ-UHFFFAOYSA-N 2 1 295.383 2.423 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000230048763 370437234 /nfs/dbraw/zinc/43/72/34/370437234.db2.gz VHYNRWHPSVDZID-VNQPRFMTSA-N 2 1 289.379 2.197 20 5 CEBDMP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253187937 371502180 /nfs/dbraw/zinc/50/21/80/371502180.db2.gz JNFHSTYBIPYQCE-DGCLKSJQSA-N 2 1 263.341 2.012 20 5 CEBDMP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000253187937 371502184 /nfs/dbraw/zinc/50/21/84/371502184.db2.gz JNFHSTYBIPYQCE-DGCLKSJQSA-N 2 1 263.341 2.012 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261695816 371703408 /nfs/dbraw/zinc/70/34/08/371703408.db2.gz LAJFRUOYJDHWKB-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261695816 371703414 /nfs/dbraw/zinc/70/34/14/371703414.db2.gz LAJFRUOYJDHWKB-CQSZACIVSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346839580 218032821 /nfs/dbraw/zinc/03/28/21/218032821.db2.gz YNURRUOMIBCVBR-CWRNSKLLSA-N 2 1 289.379 2.462 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346821982 218024922 /nfs/dbraw/zinc/02/49/22/218024922.db2.gz DYXJGVNLQWCQQH-ZNMIVQPWSA-N 2 1 289.379 2.462 20 5 CEBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347054544 218106328 /nfs/dbraw/zinc/10/63/28/218106328.db2.gz TYBARQFGSBZDFP-GQCTYLIASA-N 2 1 275.352 2.292 20 5 CEBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347054544 218106329 /nfs/dbraw/zinc/10/63/29/218106329.db2.gz TYBARQFGSBZDFP-GQCTYLIASA-N 2 1 275.352 2.292 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422722252 394740611 /nfs/dbraw/zinc/74/06/11/394740611.db2.gz XJHBWPUUEQOTJP-FZMZJTMJSA-N 2 1 293.367 2.081 20 5 CEBDMP C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c[nH+]ccc1N ZINC000422733627 394746673 /nfs/dbraw/zinc/74/66/73/394746673.db2.gz BPFFOTHKDPFZFN-LLVKDONJSA-N 2 1 286.335 2.296 20 5 CEBDMP C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000422778593 394777537 /nfs/dbraw/zinc/77/75/37/394777537.db2.gz ATVSHZVMSUQOCE-OCCSQVGLSA-N 2 1 277.368 2.258 20 5 CEBDMP C[NH2+]CCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415139008 394902798 /nfs/dbraw/zinc/90/27/98/394902798.db2.gz WGTNAMOFTBGDAN-YVMONPNESA-N 2 1 263.341 2.149 20 5 CEBDMP C[NH2+]CCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415139008 394902800 /nfs/dbraw/zinc/90/28/00/394902800.db2.gz WGTNAMOFTBGDAN-YVMONPNESA-N 2 1 263.341 2.149 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567889790 395539386 /nfs/dbraw/zinc/53/93/86/395539386.db2.gz USXASXXDUGXUQG-INIZCTEOSA-N 2 1 289.379 2.213 20 5 CEBDMP C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1c[nH+]ccc1N ZINC000422796005 270773148 /nfs/dbraw/zinc/77/31/48/270773148.db2.gz XHTXZQHYRJNHNT-NSHDSACASA-N 2 1 286.335 2.296 20 5 CEBDMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000422946830 280976127 /nfs/dbraw/zinc/97/61/27/280976127.db2.gz PJGJKVFGAAOSOH-CHWSQXEVSA-N 2 1 293.367 2.353 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261588471 290267610 /nfs/dbraw/zinc/26/76/10/290267610.db2.gz KFOARDJKHVTXBS-BXUZGUMPSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261588471 290267612 /nfs/dbraw/zinc/26/76/12/290267612.db2.gz KFOARDJKHVTXBS-BXUZGUMPSA-N 2 1 263.341 2.327 20 5 CEBDMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000261564655 628938991 /nfs/dbraw/zinc/93/89/91/628938991.db2.gz DJJXSDXRBLJTPB-ZDUSSCGKSA-N 2 1 263.341 2.073 20 5 CEBDMP C[C@H](CC[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841052403 632354225 /nfs/dbraw/zinc/35/42/25/632354225.db2.gz VCYPMUGSYHNPMJ-MRVPVSSYSA-N 2 1 257.721 2.075 20 5 CEBDMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953785 633797479 /nfs/dbraw/zinc/79/74/79/633797479.db2.gz RDRIZRZYHVJTCF-LLVKDONJSA-N 2 1 280.372 2.216 20 5 CEBDMP [NH3+]CC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000904406904 635614167 /nfs/dbraw/zinc/61/41/67/635614167.db2.gz WQHUWMUMNXCRTR-MASHWEEQSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841064484 639640071 /nfs/dbraw/zinc/64/00/71/639640071.db2.gz RDCOXVGXLSPNDU-BXKDBHETSA-N 2 1 283.759 2.336 20 5 CEBDMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169003586 811330493 /nfs/dbraw/zinc/33/04/93/811330493.db2.gz OKSMYBWSMQGUCQ-RRFJBIMHSA-N 2 1 283.416 2.273 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001173215636 815623413 /nfs/dbraw/zinc/62/34/13/815623413.db2.gz XMPKZOCJSKLKQT-ZFWWWQNUSA-N 2 1 291.395 2.457 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449086814 282094435 /nfs/dbraw/zinc/09/44/35/282094435.db2.gz CRVAHTNZTGLIKD-KBPBESRZSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325505 346821307 /nfs/dbraw/zinc/82/13/07/346821307.db2.gz DJKITONJSFTQCJ-IJLUTSLNSA-N 2 1 263.341 2.182 20 5 CEBDMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000602019015 346961448 /nfs/dbraw/zinc/96/14/48/346961448.db2.gz DKONDDMJCLQFAT-FAQJLRJSSA-N 2 1 275.352 2.135 20 5 CEBDMP C[N@H+]1CCCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000598994416 346443508 /nfs/dbraw/zinc/44/35/08/346443508.db2.gz MNEDCJTYBPINCI-AWEZNQCLSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598994416 346443509 /nfs/dbraw/zinc/44/35/09/346443509.db2.gz MNEDCJTYBPINCI-AWEZNQCLSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598994416 346443512 /nfs/dbraw/zinc/44/35/12/346443512.db2.gz MNEDCJTYBPINCI-AWEZNQCLSA-N 2 1 277.368 2.416 20 5 CEBDMP C[C@H](CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000601194041 346782775 /nfs/dbraw/zinc/78/27/75/346782775.db2.gz VRZVNKGIMORULJ-LLVKDONJSA-N 2 1 288.351 2.317 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000342089812 216215608 /nfs/dbraw/zinc/21/56/08/216215608.db2.gz BMGDTWAXPKMNHR-COPLHBTASA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000342089812 216215611 /nfs/dbraw/zinc/21/56/11/216215611.db2.gz BMGDTWAXPKMNHR-COPLHBTASA-N 2 1 293.342 2.293 20 5 CEBDMP Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681199 368767758 /nfs/dbraw/zinc/76/77/58/368767758.db2.gz OOZIJMBPJGEXBO-AAEUAGOBSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000346681199 368767759 /nfs/dbraw/zinc/76/77/59/368767759.db2.gz OOZIJMBPJGEXBO-AAEUAGOBSA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000276524254 193367322 /nfs/dbraw/zinc/36/73/22/193367322.db2.gz CMHOLGPGGIOVBP-LLVKDONJSA-N 2 1 274.324 2.222 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000228205376 370401019 /nfs/dbraw/zinc/40/10/19/370401019.db2.gz ADDLPNMUNPAWNF-AAEUAGOBSA-N 2 1 263.341 2.072 20 5 CEBDMP C[NH2+]CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423208090 377124275 /nfs/dbraw/zinc/12/42/75/377124275.db2.gz YUYFGRDLTNFXJY-LLVKDONJSA-N 2 1 251.330 2.163 20 5 CEBDMP CC[NH2+]CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423250955 377170337 /nfs/dbraw/zinc/17/03/37/377170337.db2.gz VCTDREMYJVHZSJ-AWEZNQCLSA-N 2 1 277.368 2.115 20 5 CEBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cc1[N+](=O)[O-] ZINC000423256139 377177150 /nfs/dbraw/zinc/17/71/50/377177150.db2.gz BHVJBDUGEIQBOO-NWDGAFQWSA-N 2 1 295.383 2.500 20 5 CEBDMP C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000293354653 377532296 /nfs/dbraw/zinc/53/22/96/377532296.db2.gz HCLCFENMCGZTNZ-VXGBXAGGSA-N 2 1 265.357 2.443 20 5 CEBDMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000293354641 377533404 /nfs/dbraw/zinc/53/34/04/377533404.db2.gz HCLCFENMCGZTNZ-NWDGAFQWSA-N 2 1 265.357 2.443 20 5 CEBDMP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312805603 249373626 /nfs/dbraw/zinc/37/36/26/249373626.db2.gz KXGCAKBJFJQWFD-OKILXGFUSA-N 2 1 275.352 2.026 20 5 CEBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293794227 377762249 /nfs/dbraw/zinc/76/22/49/377762249.db2.gz QSGGQHJRBNXKGG-NWDGAFQWSA-N 2 1 292.383 2.169 20 5 CEBDMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414838768 394763763 /nfs/dbraw/zinc/76/37/63/394763763.db2.gz ZKDGBQKBZHMCSK-OCCSQVGLSA-N 2 1 277.368 2.115 20 5 CEBDMP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]C1 ZINC000414857145 394773609 /nfs/dbraw/zinc/77/36/09/394773609.db2.gz OYSIIWBXFSBAQP-WDEREUQCSA-N 2 1 281.331 2.212 20 5 CEBDMP CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422738929 394749828 /nfs/dbraw/zinc/74/98/28/394749828.db2.gz KLKKXQRZYNZXKY-CABCVRRESA-N 2 1 277.368 2.258 20 5 CEBDMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423444411 394923174 /nfs/dbraw/zinc/92/31/74/394923174.db2.gz LUSSDPGVPMHCTD-BREBYQMCSA-N 2 1 251.330 2.371 20 5 CEBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000420371854 395358605 /nfs/dbraw/zinc/35/86/05/395358605.db2.gz PULXZKJTVCTHAM-XUJVJEKNSA-N 2 1 277.368 2.113 20 5 CEBDMP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473878 395529069 /nfs/dbraw/zinc/52/90/69/395529069.db2.gz DURVHQZCRNWGMJ-CYBMUJFWSA-N 2 1 263.341 2.123 20 5 CEBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414775740 263044505 /nfs/dbraw/zinc/04/45/05/263044505.db2.gz GORMWGFEZPBLRO-OLZOCXBDSA-N 2 1 295.408 2.478 20 5 CEBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414775741 263044566 /nfs/dbraw/zinc/04/45/66/263044566.db2.gz GORMWGFEZPBLRO-QWHCGFSZSA-N 2 1 295.408 2.478 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423552415 270923988 /nfs/dbraw/zinc/92/39/88/270923988.db2.gz JXGHDELPFTXKFG-OCCSQVGLSA-N 2 1 277.368 2.258 20 5 CEBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC000332208322 275038057 /nfs/dbraw/zinc/03/80/57/275038057.db2.gz HZECTDVDGHPICB-OAHLLOKOSA-N 2 1 275.352 2.314 20 5 CEBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459736709 290221354 /nfs/dbraw/zinc/22/13/54/290221354.db2.gz QRAADYSWVQDTDX-CQSZACIVSA-N 2 1 277.368 2.416 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000841057040 639634684 /nfs/dbraw/zinc/63/46/84/639634684.db2.gz ASDMRPDELOLTGO-NSHDSACASA-N 2 1 283.759 2.480 20 5 CEBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001168992966 811325490 /nfs/dbraw/zinc/32/54/90/811325490.db2.gz LWMVXAOZTQAXNX-QLFBSQMISA-N 2 1 295.427 2.428 20 5 CEBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001168992966 811325501 /nfs/dbraw/zinc/32/55/01/811325501.db2.gz LWMVXAOZTQAXNX-QLFBSQMISA-N 2 1 295.427 2.428 20 5 CEBDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)C1 ZINC001169008237 811332894 /nfs/dbraw/zinc/33/28/94/811332894.db2.gz SHHGMUSMBMJPSW-QPSCCSFWSA-N 2 1 283.416 2.140 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335645 346824462 /nfs/dbraw/zinc/82/44/62/346824462.db2.gz WQPYXUPFOHPUGT-GOEBONIOSA-N 2 1 289.379 2.211 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335618 346824609 /nfs/dbraw/zinc/82/46/09/346824609.db2.gz WKWFIAYNUHWBFZ-UKRRQHHQSA-N 2 1 275.352 2.169 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335618 346824612 /nfs/dbraw/zinc/82/46/12/346824612.db2.gz WKWFIAYNUHWBFZ-UKRRQHHQSA-N 2 1 275.352 2.169 20 5 CEBDMP CC[NH+](CC)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045704836 362166040 /nfs/dbraw/zinc/16/60/40/362166040.db2.gz JAMXRRZLVNEABE-CYBMUJFWSA-N 2 1 279.384 2.457 20 5 CEBDMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000045134946 343481394 /nfs/dbraw/zinc/48/13/94/343481394.db2.gz LMXSXOXZXRPLBH-OAHLLOKOSA-N 2 1 291.395 2.457 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000128000841 187345476 /nfs/dbraw/zinc/34/54/76/187345476.db2.gz IRHPJKVCTTXPEY-GDBMZVCRSA-N 2 1 289.379 2.354 20 5 CEBDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000596103572 345940651 /nfs/dbraw/zinc/94/06/51/345940651.db2.gz MOKMTUGZAFHSLR-GFCCVEGCSA-N 2 1 251.330 2.058 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074505 363026955 /nfs/dbraw/zinc/02/69/55/363026955.db2.gz SKIOAHYSDCMWAM-DGCLKSJQSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000070074505 363026960 /nfs/dbraw/zinc/02/69/60/363026960.db2.gz SKIOAHYSDCMWAM-DGCLKSJQSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655267 364908201 /nfs/dbraw/zinc/90/82/01/364908201.db2.gz DXDHHFXNYVHXDQ-DGCLKSJQSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000113655267 364908206 /nfs/dbraw/zinc/90/82/06/364908206.db2.gz DXDHHFXNYVHXDQ-DGCLKSJQSA-N 2 1 263.341 2.154 20 5 CEBDMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000226539868 370345063 /nfs/dbraw/zinc/34/50/63/370345063.db2.gz MVGHSBQDESDVKV-GVXVVHGQSA-N 2 1 263.341 2.325 20 5 CEBDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247040854 371052195 /nfs/dbraw/zinc/05/21/95/371052195.db2.gz ODATWEJXPSTHSN-XJKSGUPXSA-N 2 1 291.395 2.457 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000261743256 371716025 /nfs/dbraw/zinc/71/60/25/371716025.db2.gz SIBBNBMQVSJIGB-PSOPSSQASA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000261743256 371716031 /nfs/dbraw/zinc/71/60/31/371716031.db2.gz SIBBNBMQVSJIGB-PSOPSSQASA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414805245 375991971 /nfs/dbraw/zinc/99/19/71/375991971.db2.gz PKPKCUDIBLSYII-QWRGUYRKSA-N 2 1 269.370 2.263 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC000314838941 376785085 /nfs/dbraw/zinc/78/50/85/376785085.db2.gz YRFKFXOMVRTKQZ-TXEJJXNPSA-N 2 1 293.342 2.165 20 5 CEBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[NH3+] ZINC000423333242 377263585 /nfs/dbraw/zinc/26/35/85/377263585.db2.gz RGXXRPOJHYYRQI-MNOVXSKESA-N 2 1 283.397 2.402 20 5 CEBDMP C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000293354636 377532592 /nfs/dbraw/zinc/53/25/92/377532592.db2.gz HCLCFENMCGZTNZ-NEPJUHHUSA-N 2 1 265.357 2.443 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296665724 378611278 /nfs/dbraw/zinc/61/12/78/378611278.db2.gz GCJSRQSNSTYVNX-NSHDSACASA-N 2 1 274.324 2.451 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000158120603 395038276 /nfs/dbraw/zinc/03/82/76/395038276.db2.gz KYMAFDRWULCWTF-BXUZGUMPSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000158120603 395038279 /nfs/dbraw/zinc/03/82/79/395038279.db2.gz KYMAFDRWULCWTF-BXUZGUMPSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000291820054 395169124 /nfs/dbraw/zinc/16/91/24/395169124.db2.gz ZBCQRWLNFVWKJL-NSHDSACASA-N 2 1 265.357 2.191 20 5 CEBDMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000420399825 395371307 /nfs/dbraw/zinc/37/13/07/395371307.db2.gz IEIQYFZFKNERDX-NSHDSACASA-N 2 1 251.330 2.163 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397271515 270352765 /nfs/dbraw/zinc/35/27/65/270352765.db2.gz XKUZRQYWLGZADI-MBNYWOFBSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000397271515 270352767 /nfs/dbraw/zinc/35/27/67/270352767.db2.gz XKUZRQYWLGZADI-MBNYWOFBSA-N 2 1 277.368 2.400 20 5 CEBDMP CC[C@H]([NH2+]CCC[NH2+]C)c1cccc([N+](=O)[O-])c1 ZINC000420395212 270534290 /nfs/dbraw/zinc/53/42/90/270534290.db2.gz DDEIZUYUYDAJFU-ZDUSSCGKSA-N 2 1 251.330 2.245 20 5 CEBDMP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000251244769 277280110 /nfs/dbraw/zinc/28/01/10/277280110.db2.gz HEGGASQFDLVFGO-NEPJUHHUSA-N 2 1 263.341 2.197 20 5 CEBDMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000251244769 277280111 /nfs/dbraw/zinc/28/01/11/277280111.db2.gz HEGGASQFDLVFGO-NEPJUHHUSA-N 2 1 263.341 2.197 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000183343723 525563889 /nfs/dbraw/zinc/56/38/89/525563889.db2.gz GJHNNQZGRCYGES-ZDUSSCGKSA-N 2 1 277.368 2.287 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000183343723 525563898 /nfs/dbraw/zinc/56/38/98/525563898.db2.gz GJHNNQZGRCYGES-ZDUSSCGKSA-N 2 1 277.368 2.287 20 5 CEBDMP [NH3+]CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843047118 640251410 /nfs/dbraw/zinc/25/14/10/640251410.db2.gz HLJCMRMYWAZJCG-UHFFFAOYSA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C[NH3+] ZINC000923496768 643740052 /nfs/dbraw/zinc/74/00/52/643740052.db2.gz DDAONBWZTXYABT-MWLCHTKSSA-N 2 1 269.370 2.073 20 5 CEBDMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854222516 644015292 /nfs/dbraw/zinc/01/52/92/644015292.db2.gz HRZQFSKHVMBVCX-JTQLQIEISA-N 2 1 278.356 2.099 20 5 CEBDMP Cc1c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000131510960 652432087 /nfs/dbraw/zinc/43/20/87/652432087.db2.gz XKQVDTAEAZGAMI-CMPLNLGQSA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723699054 802926343 /nfs/dbraw/zinc/92/63/43/802926343.db2.gz MLNBLJFPENNQPO-NEPJUHHUSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168973985 811322027 /nfs/dbraw/zinc/32/20/27/811322027.db2.gz PVLGKCZAVOHZIM-KFWWJZLASA-N 2 1 283.416 2.286 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC[NH+](C)CC1 ZINC001173212285 815635104 /nfs/dbraw/zinc/63/51/04/815635104.db2.gz ZCCSAXQVQAAAJF-GFCCVEGCSA-N 2 1 277.368 2.210 20 5 CEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001173213811 815636782 /nfs/dbraw/zinc/63/67/82/815636782.db2.gz KRXJVRQMWWQBPQ-GXTWGEPZSA-N 2 1 277.368 2.067 20 5 CEBDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044537153 362154216 /nfs/dbraw/zinc/15/42/16/362154216.db2.gz CRIMSLKZBRSAOJ-ZDUSSCGKSA-N 2 1 293.367 2.035 20 5 CEBDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044537153 362154220 /nfs/dbraw/zinc/15/42/20/362154220.db2.gz CRIMSLKZBRSAOJ-ZDUSSCGKSA-N 2 1 293.367 2.035 20 5 CEBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)[NH3+] ZINC000591581566 345266718 /nfs/dbraw/zinc/26/67/18/345266718.db2.gz ZKUHXKQDPOVBRT-GHMZBOCLSA-N 2 1 283.397 2.402 20 5 CEBDMP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000128453359 187371182 /nfs/dbraw/zinc/37/11/82/187371182.db2.gz RSQRECZNYINGDQ-ZDUSSCGKSA-N 2 1 295.383 2.409 20 5 CEBDMP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000128453359 187371183 /nfs/dbraw/zinc/37/11/83/187371183.db2.gz RSQRECZNYINGDQ-ZDUSSCGKSA-N 2 1 295.383 2.409 20 5 CEBDMP C[NH+](C)C1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601176340 346778307 /nfs/dbraw/zinc/77/83/07/346778307.db2.gz VHYMGZIYFXJVHH-UHFFFAOYSA-N 2 1 286.335 2.071 20 5 CEBDMP C[NH+](C)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000145990450 366574175 /nfs/dbraw/zinc/57/41/75/366574175.db2.gz YPVDAXGXTOECCI-UHFFFAOYSA-N 2 1 260.297 2.117 20 5 CEBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC[NH2+]CC1 ZINC000094010968 364246893 /nfs/dbraw/zinc/24/68/93/364246893.db2.gz AZACIVQCMQMIEN-UHFFFAOYSA-N 2 1 263.341 2.026 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346693084 368774871 /nfs/dbraw/zinc/77/48/71/368774871.db2.gz KRWMZBROZUUYKF-UUSSSYRCSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000346693084 368774873 /nfs/dbraw/zinc/77/48/73/368774873.db2.gz KRWMZBROZUUYKF-UUSSSYRCSA-N 2 1 275.352 2.277 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000253627176 371534577 /nfs/dbraw/zinc/53/45/77/371534577.db2.gz YYFGERHUHOWCTI-BXUZGUMPSA-N 2 1 277.368 2.333 20 5 CEBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000253627176 371534582 /nfs/dbraw/zinc/53/45/82/371534582.db2.gz YYFGERHUHOWCTI-BXUZGUMPSA-N 2 1 277.368 2.333 20 5 CEBDMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283979202 375789877 /nfs/dbraw/zinc/78/98/77/375789877.db2.gz GWJVRKNCAHPYFI-LLVKDONJSA-N 2 1 294.399 2.415 20 5 CEBDMP C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000423017615 376934680 /nfs/dbraw/zinc/93/46/80/376934680.db2.gz WUXBJQPEVSFMRU-SWLSCSKDSA-N 2 1 277.368 2.258 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423246667 377166653 /nfs/dbraw/zinc/16/66/53/377166653.db2.gz ZRFDNONGMSMHKG-GJZGRUSLSA-N 2 1 289.379 2.258 20 5 CEBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423259208 377179213 /nfs/dbraw/zinc/17/92/13/377179213.db2.gz DGBQQJQCUWKQBD-TZMCWYRMSA-N 2 1 279.384 2.489 20 5 CEBDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423277199 377202314 /nfs/dbraw/zinc/20/23/14/377202314.db2.gz NWXCIPOWGAIPNS-KGLIPLIRSA-N 2 1 263.341 2.373 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346821974 218025048 /nfs/dbraw/zinc/02/50/48/218025048.db2.gz DYXJGVNLQWCQQH-RRFJBIMHSA-N 2 1 289.379 2.462 20 5 CEBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000346832277 218028180 /nfs/dbraw/zinc/02/81/80/218028180.db2.gz YYEPAYCRZQRXBP-GPEQFZLPSA-N 2 1 287.363 2.277 20 5 CEBDMP CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422780751 394779742 /nfs/dbraw/zinc/77/97/42/394779742.db2.gz DJNHNYBFYNIFBR-KBPBESRZSA-N 2 1 277.368 2.258 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313321 395316162 /nfs/dbraw/zinc/31/61/62/395316162.db2.gz PPJZNDMWDXBPDT-RWMBFGLXSA-N 2 1 275.352 2.115 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313321 395316164 /nfs/dbraw/zinc/31/61/64/395316164.db2.gz PPJZNDMWDXBPDT-RWMBFGLXSA-N 2 1 275.352 2.115 20 5 CEBDMP CC1(C)C[C@@H]([NH2+]CC2C[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423336672 270899844 /nfs/dbraw/zinc/89/98/44/270899844.db2.gz XXCGSDIAPSSMMZ-CQSZACIVSA-N 2 1 275.352 2.126 20 5 CEBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430588070 271396883 /nfs/dbraw/zinc/39/68/83/271396883.db2.gz BUHOAUKGTOAOAH-CHWSQXEVSA-N 2 1 293.367 2.033 20 5 CEBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925516698 628061374 /nfs/dbraw/zinc/06/13/74/628061374.db2.gz XOVMHECARCNBTF-HNNXBMFYSA-N 2 1 289.379 2.402 20 5 CEBDMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902430688 634652484 /nfs/dbraw/zinc/65/24/84/634652484.db2.gz QBUPBRDTKZRBHU-RISCZKNCSA-N 2 1 277.368 2.428 20 5 CEBDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899869180 633063594 /nfs/dbraw/zinc/06/35/94/633063594.db2.gz BORFGIDUYNPSSB-AWEZNQCLSA-N 2 1 291.395 2.427 20 5 CEBDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817906880 633766217 /nfs/dbraw/zinc/76/62/17/633766217.db2.gz FZDCYHRFDOQCQY-RKDXNWHRSA-N 2 1 271.748 2.464 20 5 CEBDMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000903454781 635138311 /nfs/dbraw/zinc/13/83/11/635138311.db2.gz JPFSFHGKKNQHOF-OCCSQVGLSA-N 2 1 289.379 2.415 20 5 CEBDMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000903454781 635138313 /nfs/dbraw/zinc/13/83/13/635138313.db2.gz JPFSFHGKKNQHOF-OCCSQVGLSA-N 2 1 289.379 2.415 20 5 CEBDMP [NH3+]C1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000906510141 636760987 /nfs/dbraw/zinc/76/09/87/636760987.db2.gz NFONMSOVRAWVMQ-UHFFFAOYSA-N 2 1 287.319 2.434 20 5 CEBDMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841030905 639622399 /nfs/dbraw/zinc/62/23/99/639622399.db2.gz OUWKLYLQSWQKOE-NOZJJQNGSA-N 2 1 283.759 2.465 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923487687 643731157 /nfs/dbraw/zinc/73/11/57/643731157.db2.gz BFXGOUSQYVKEFS-NWDGAFQWSA-N 2 1 293.367 2.020 20 5 CEBDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044537151 362153772 /nfs/dbraw/zinc/15/37/72/362153772.db2.gz CRIMSLKZBRSAOJ-CYBMUJFWSA-N 2 1 293.367 2.035 20 5 CEBDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044537151 362153779 /nfs/dbraw/zinc/15/37/79/362153779.db2.gz CRIMSLKZBRSAOJ-CYBMUJFWSA-N 2 1 293.367 2.035 20 5 CEBDMP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600712339 346675794 /nfs/dbraw/zinc/67/57/94/346675794.db2.gz WWVNCMZQAZHUEE-CQSZACIVSA-N 2 1 293.367 2.143 20 5 CEBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000600744096 346682740 /nfs/dbraw/zinc/68/27/40/346682740.db2.gz AHTQTAKKTGBKGA-IYBDPMFKSA-N 2 1 289.379 2.069 20 5 CEBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000600744096 346682744 /nfs/dbraw/zinc/68/27/44/346682744.db2.gz AHTQTAKKTGBKGA-IYBDPMFKSA-N 2 1 289.379 2.069 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000336839196 365909607 /nfs/dbraw/zinc/90/96/07/365909607.db2.gz ODZLQJBKRKLBLP-NSHDSACASA-N 2 1 274.324 2.451 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720502 180030300 /nfs/dbraw/zinc/03/03/00/180030300.db2.gz CXASYQGXAZKBDH-TZMCWYRMSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090720502 180030301 /nfs/dbraw/zinc/03/03/01/180030301.db2.gz CXASYQGXAZKBDH-TZMCWYRMSA-N 2 1 277.368 2.476 20 5 CEBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250088674 371376894 /nfs/dbraw/zinc/37/68/94/371376894.db2.gz SBHCKQGOAICTBF-GJZGRUSLSA-N 2 1 289.379 2.354 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252773724 371477307 /nfs/dbraw/zinc/47/73/07/371477307.db2.gz MVGHSBQDESDVKV-DMDPSCGWSA-N 2 1 263.341 2.325 20 5 CEBDMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000261574835 371657360 /nfs/dbraw/zinc/65/73/60/371657360.db2.gz YININPOLCXWLQM-CYBMUJFWSA-N 2 1 263.341 2.073 20 5 CEBDMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000414680514 375915652 /nfs/dbraw/zinc/91/56/52/375915652.db2.gz UMAWKFQJPWEVEE-OLZOCXBDSA-N 2 1 277.368 2.415 20 5 CEBDMP CC[NH2+]CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423250957 377170590 /nfs/dbraw/zinc/17/05/90/377170590.db2.gz VCTDREMYJVHZSJ-CQSZACIVSA-N 2 1 277.368 2.115 20 5 CEBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000346832275 218028833 /nfs/dbraw/zinc/02/88/33/218028833.db2.gz YYEPAYCRZQRXBP-BJVUIWQCSA-N 2 1 287.363 2.277 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347035385 218099814 /nfs/dbraw/zinc/09/98/14/218099814.db2.gz GOLUCJGHBCRMBE-SMDDNHRTSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347035385 218099816 /nfs/dbraw/zinc/09/98/16/218099816.db2.gz GOLUCJGHBCRMBE-SMDDNHRTSA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@H]1C[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC000414708553 394749487 /nfs/dbraw/zinc/74/94/87/394749487.db2.gz ZZZUHPMSYHBFAC-STQMWFEESA-N 2 1 289.379 2.341 20 5 CEBDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285059946 196187938 /nfs/dbraw/zinc/18/79/38/196187938.db2.gz IVRKDRSKASNFLZ-NSHDSACASA-N 2 1 290.367 2.090 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527975 175192694 /nfs/dbraw/zinc/19/26/94/175192694.db2.gz PYQSDVHICXZYPW-VXGBXAGGSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527975 175192696 /nfs/dbraw/zinc/19/26/96/175192696.db2.gz PYQSDVHICXZYPW-VXGBXAGGSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527720 175192819 /nfs/dbraw/zinc/19/28/19/175192819.db2.gz AKJHOQJTLMCUTG-NWDGAFQWSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527720 175192821 /nfs/dbraw/zinc/19/28/21/175192821.db2.gz AKJHOQJTLMCUTG-NWDGAFQWSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397227195 270352260 /nfs/dbraw/zinc/35/22/60/270352260.db2.gz CPEKQQRLNHPHMG-MBNYWOFBSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397227195 270352262 /nfs/dbraw/zinc/35/22/62/270352262.db2.gz CPEKQQRLNHPHMG-MBNYWOFBSA-N 2 1 277.368 2.400 20 5 CEBDMP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158031734 527398677 /nfs/dbraw/zinc/39/86/77/527398677.db2.gz SBHCKQGOAICTBF-LSDHHAIUSA-N 2 1 289.379 2.354 20 5 CEBDMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902430687 634652651 /nfs/dbraw/zinc/65/26/51/634652651.db2.gz QBUPBRDTKZRBHU-FZMZJTMJSA-N 2 1 277.368 2.428 20 5 CEBDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817981235 633825332 /nfs/dbraw/zinc/82/53/32/633825332.db2.gz HSALWHQADPTNMD-YGRLFVJLSA-N 2 1 292.383 2.345 20 5 CEBDMP [NH3+]C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000906510168 636760158 /nfs/dbraw/zinc/76/01/58/636760158.db2.gz PCVPTNMSRDXPIT-UHFFFAOYSA-N 2 1 287.319 2.434 20 5 CEBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001168992968 811325835 /nfs/dbraw/zinc/32/58/35/811325835.db2.gz LWMVXAOZTQAXNX-RRFJBIMHSA-N 2 1 295.427 2.428 20 5 CEBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001168992968 811325845 /nfs/dbraw/zinc/32/58/45/811325845.db2.gz LWMVXAOZTQAXNX-RRFJBIMHSA-N 2 1 295.427 2.428 20 5 CEBDMP CC(C)[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(C)CC1 ZINC001169054282 811358604 /nfs/dbraw/zinc/35/86/04/811358604.db2.gz LLIVJFWEGPSBHL-DZGCQCFKSA-N 2 1 283.416 2.236 20 5 CEBDMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901482 815539589 /nfs/dbraw/zinc/53/95/89/815539589.db2.gz IPEJDLMBCQBZCJ-IUODEOHRSA-N 2 1 291.395 2.369 20 5 CEBDMP Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000035015717 361804200 /nfs/dbraw/zinc/80/42/00/361804200.db2.gz GQYPLDRGNJQGCI-UHFFFAOYSA-N 2 1 277.368 2.479 20 5 CEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000313114500 344741664 /nfs/dbraw/zinc/74/16/64/344741664.db2.gz ZPJJOCJRFGRSRP-ZFWWWQNUSA-N 2 1 275.352 2.156 20 5 CEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000313114500 344741667 /nfs/dbraw/zinc/74/16/67/344741667.db2.gz ZPJJOCJRFGRSRP-ZFWWWQNUSA-N 2 1 275.352 2.156 20 5 CEBDMP CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592427593 345352018 /nfs/dbraw/zinc/35/20/18/345352018.db2.gz GDUCPXVORYVYTI-WFASDCNBSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592427593 345352022 /nfs/dbraw/zinc/35/20/22/345352022.db2.gz GDUCPXVORYVYTI-WFASDCNBSA-N 2 1 277.368 2.462 20 5 CEBDMP C[N@H+]1CCCC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000598994431 346443655 /nfs/dbraw/zinc/44/36/55/346443655.db2.gz MQWYBEBRYKOQLJ-ZDUSSCGKSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000598994431 346443658 /nfs/dbraw/zinc/44/36/58/346443658.db2.gz MQWYBEBRYKOQLJ-ZDUSSCGKSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000598994431 346443659 /nfs/dbraw/zinc/44/36/59/346443659.db2.gz MQWYBEBRYKOQLJ-ZDUSSCGKSA-N 2 1 277.368 2.416 20 5 CEBDMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000600728260 346679545 /nfs/dbraw/zinc/67/95/45/346679545.db2.gz OFJNLOLVXRRWCJ-ZDUSSCGKSA-N 2 1 295.383 2.132 20 5 CEBDMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000070150175 363038420 /nfs/dbraw/zinc/03/84/20/363038420.db2.gz NYHRFULBFJIPEZ-CYBMUJFWSA-N 2 1 293.367 2.307 20 5 CEBDMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000070150175 363038426 /nfs/dbraw/zinc/03/84/26/363038426.db2.gz NYHRFULBFJIPEZ-CYBMUJFWSA-N 2 1 293.367 2.307 20 5 CEBDMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292253270 198218400 /nfs/dbraw/zinc/21/84/00/198218400.db2.gz XZAHTPXULQEYTN-MRXNPFEDSA-N 2 1 289.379 2.165 20 5 CEBDMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292253270 198218402 /nfs/dbraw/zinc/21/84/02/198218402.db2.gz XZAHTPXULQEYTN-MRXNPFEDSA-N 2 1 289.379 2.165 20 5 CEBDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292253270 198218403 /nfs/dbraw/zinc/21/84/03/198218403.db2.gz XZAHTPXULQEYTN-MRXNPFEDSA-N 2 1 289.379 2.165 20 5 CEBDMP O=[N+]([O-])c1ccccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297332413 200151753 /nfs/dbraw/zinc/15/17/53/200151753.db2.gz CWFMCBBTDAVOIB-UHFFFAOYSA-N 2 1 289.379 2.354 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346693082 368774405 /nfs/dbraw/zinc/77/44/05/368774405.db2.gz KRWMZBROZUUYKF-MDUKQBBOSA-N 2 1 275.352 2.277 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000346693082 368774409 /nfs/dbraw/zinc/77/44/09/368774409.db2.gz KRWMZBROZUUYKF-MDUKQBBOSA-N 2 1 275.352 2.277 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000350047395 369491408 /nfs/dbraw/zinc/49/14/08/369491408.db2.gz HZSMFKIEHRPHOM-OCCSQVGLSA-N 2 1 277.368 2.476 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000350047395 369491413 /nfs/dbraw/zinc/49/14/13/369491413.db2.gz HZSMFKIEHRPHOM-OCCSQVGLSA-N 2 1 277.368 2.476 20 5 CEBDMP COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715342 371472184 /nfs/dbraw/zinc/47/21/84/371472184.db2.gz VIDSNXZHOPATRX-BXUZGUMPSA-N 2 1 293.367 2.033 20 5 CEBDMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000414767700 375959136 /nfs/dbraw/zinc/95/91/36/375959136.db2.gz KGKNLXHHYZJEHX-GASCZTMLSA-N 2 1 289.379 2.335 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414790044 375970824 /nfs/dbraw/zinc/97/08/24/375970824.db2.gz ZHSXOKPFTVQRCS-HUUCEWRRSA-N 2 1 289.379 2.416 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293794223 377762198 /nfs/dbraw/zinc/76/21/98/377762198.db2.gz QSGGQHJRBNXKGG-NEPJUHHUSA-N 2 1 292.383 2.169 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346825728 218027090 /nfs/dbraw/zinc/02/70/90/218027090.db2.gz GRIBILONLZJFOR-BFHYXJOUSA-N 2 1 275.352 2.072 20 5 CEBDMP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347141419 218135481 /nfs/dbraw/zinc/13/54/81/218135481.db2.gz WIZGCTTYCKJAAG-UHFFFAOYSA-N 2 1 263.341 2.087 20 5 CEBDMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347141419 218135483 /nfs/dbraw/zinc/13/54/83/218135483.db2.gz WIZGCTTYCKJAAG-UHFFFAOYSA-N 2 1 263.341 2.087 20 5 CEBDMP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000414879210 394784200 /nfs/dbraw/zinc/78/42/00/394784200.db2.gz IDLCQOGDHTZTCG-ZZXKWVIFSA-N 2 1 261.325 2.079 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000414921177 394803491 /nfs/dbraw/zinc/80/34/91/394803491.db2.gz FEIMRQLTVFXQII-ZJUUUORDSA-N 2 1 255.343 2.016 20 5 CEBDMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414938616 394812921 /nfs/dbraw/zinc/81/29/21/394812921.db2.gz YZOYHZFTDLFZRD-YRGRVCCFSA-N 2 1 277.368 2.243 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397229084 270352799 /nfs/dbraw/zinc/35/27/99/270352799.db2.gz DRZXJIPKGAAEIK-BZPMIXESSA-N 2 1 277.368 2.400 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000580782061 322344394 /nfs/dbraw/zinc/34/43/94/322344394.db2.gz SDOVGRLXBZICCY-WCQYABFASA-N 2 1 263.341 2.215 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000580782061 322344397 /nfs/dbraw/zinc/34/43/97/322344397.db2.gz SDOVGRLXBZICCY-WCQYABFASA-N 2 1 263.341 2.215 20 5 CEBDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000049553543 524476447 /nfs/dbraw/zinc/47/64/47/524476447.db2.gz KGENBLOKVHKIJG-NSHDSACASA-N 2 1 251.330 2.025 20 5 CEBDMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000902430082 634651614 /nfs/dbraw/zinc/65/16/14/634651614.db2.gz OEYZXAYOYYBSAR-DYEKYZERSA-N 2 1 277.368 2.428 20 5 CEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474609 634666505 /nfs/dbraw/zinc/66/65/05/634666505.db2.gz GERLUMQXXVZDAU-PMOUVXMZSA-N 2 1 289.379 2.398 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485744 635151916 /nfs/dbraw/zinc/15/19/16/635151916.db2.gz PRUDRBNFKPQCDK-OAHLLOKOSA-N 2 1 289.379 2.402 20 5 CEBDMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000903967762 635400460 /nfs/dbraw/zinc/40/04/60/635400460.db2.gz NORMNAITSDCAPF-KOLCDFICSA-N 2 1 283.759 2.193 20 5 CEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484649 643733368 /nfs/dbraw/zinc/73/33/68/643733368.db2.gz ACUQZYKIWVTAFD-LBPRGKRZSA-N 2 1 293.367 2.164 20 5 CEBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000923493675 643737308 /nfs/dbraw/zinc/73/73/08/643737308.db2.gz UWGXUAPZPCFBSK-SNVBAGLBSA-N 2 1 283.759 2.419 20 5 CEBDMP C[C@H]1C[C@H](C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001118020012 814976589 /nfs/dbraw/zinc/97/65/89/814976589.db2.gz SQIGQPBFHQFBPX-NWDGAFQWSA-N 2 1 275.352 2.299 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601334268 346823586 /nfs/dbraw/zinc/82/35/86/346823586.db2.gz JYSKXWOZIAZDGD-BBRMVZONSA-N 2 1 289.379 2.477 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601334268 346823588 /nfs/dbraw/zinc/82/35/88/346823588.db2.gz JYSKXWOZIAZDGD-BBRMVZONSA-N 2 1 289.379 2.477 20 5 CEBDMP CC(C)[N@@H+](C)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226393877 344549718 /nfs/dbraw/zinc/54/97/18/344549718.db2.gz LCQPHFJWOHOWDI-UHFFFAOYSA-N 2 1 279.384 2.457 20 5 CEBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000601109682 346755485 /nfs/dbraw/zinc/75/54/85/346755485.db2.gz WUMKOBHXSHQXQL-NSHDSACASA-N 2 1 298.346 2.214 20 5 CEBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000601109682 346755487 /nfs/dbraw/zinc/75/54/87/346755487.db2.gz WUMKOBHXSHQXQL-NSHDSACASA-N 2 1 298.346 2.214 20 5 CEBDMP CC[N@@H+](CCC[NH+](C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602664384 347130500 /nfs/dbraw/zinc/13/05/00/347130500.db2.gz WDUYGAWQMABTPG-UHFFFAOYSA-N 2 1 279.384 2.411 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000131473202 366056569 /nfs/dbraw/zinc/05/65/69/366056569.db2.gz JRIVLYKCKCCGSY-GRYCIOLGSA-N 2 1 263.341 2.325 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000226927646 370352968 /nfs/dbraw/zinc/35/29/68/370352968.db2.gz WFWVRLNJSVWLIS-GXTWGEPZSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000226927646 370352976 /nfs/dbraw/zinc/35/29/76/370352976.db2.gz WFWVRLNJSVWLIS-GXTWGEPZSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000227074347 370357598 /nfs/dbraw/zinc/35/75/98/370357598.db2.gz MMTUDTPZFVVSHV-GXFFZTMASA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000227074347 370357601 /nfs/dbraw/zinc/35/76/01/370357601.db2.gz MMTUDTPZFVVSHV-GXFFZTMASA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000261674652 371699808 /nfs/dbraw/zinc/69/98/08/371699808.db2.gz GGLRHCJZIMXUQC-AWEZNQCLSA-N 2 1 277.368 2.381 20 5 CEBDMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC[NH2+]1 ZINC000556942892 376521569 /nfs/dbraw/zinc/52/15/69/376521569.db2.gz OWYLUCVOMKVDRA-OLZOCXBDSA-N 2 1 289.379 2.341 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292875136 377327676 /nfs/dbraw/zinc/32/76/76/377327676.db2.gz WWOZRHXUZKUHQD-MRXNPFEDSA-N 2 1 289.379 2.431 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292875136 377327683 /nfs/dbraw/zinc/32/76/83/377327683.db2.gz WWOZRHXUZKUHQD-MRXNPFEDSA-N 2 1 289.379 2.431 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292875136 377327690 /nfs/dbraw/zinc/32/76/90/377327690.db2.gz WWOZRHXUZKUHQD-MRXNPFEDSA-N 2 1 289.379 2.431 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292875136 377327697 /nfs/dbraw/zinc/32/76/97/377327697.db2.gz WWOZRHXUZKUHQD-MRXNPFEDSA-N 2 1 289.379 2.431 20 5 CEBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000299658138 379095913 /nfs/dbraw/zinc/09/59/13/379095913.db2.gz VADDELJERSGGHW-UHFFFAOYSA-N 2 1 280.353 2.341 20 5 CEBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000359230064 285142154 /nfs/dbraw/zinc/14/21/54/285142154.db2.gz YVVCIUXZHXZHLU-UHFFFAOYSA-N 2 1 289.379 2.343 20 5 CEBDMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414848627 394769434 /nfs/dbraw/zinc/76/94/34/394769434.db2.gz QFSWQONNKBREFB-GFCCVEGCSA-N 2 1 265.357 2.115 20 5 CEBDMP [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000415068890 394873473 /nfs/dbraw/zinc/87/34/73/394873473.db2.gz RQCUJVAQAWVRDS-AWEZNQCLSA-N 2 1 263.341 2.202 20 5 CEBDMP Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415071999 394874701 /nfs/dbraw/zinc/87/47/01/394874701.db2.gz UZZLTKMVZVSQBI-UHFFFAOYSA-N 2 1 263.341 2.135 20 5 CEBDMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423368716 394903373 /nfs/dbraw/zinc/90/33/73/394903373.db2.gz FJODAWBATLIJSC-MDZLAQPJSA-N 2 1 263.341 2.386 20 5 CEBDMP CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000423423718 394919949 /nfs/dbraw/zinc/91/99/49/394919949.db2.gz DXHATCXSFKIZLB-BARDWOONSA-N 2 1 275.352 2.243 20 5 CEBDMP C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](C)[NH3+] ZINC000423481609 394930304 /nfs/dbraw/zinc/93/03/04/394930304.db2.gz WZYPPHBKRMZWAG-IMSIIYSGSA-N 2 1 263.341 2.298 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000044533165 270229719 /nfs/dbraw/zinc/22/97/19/270229719.db2.gz UOPBUPOVLSFZRM-CQSZACIVSA-N 2 1 277.368 2.335 20 5 CEBDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000044533165 270229720 /nfs/dbraw/zinc/22/97/20/270229720.db2.gz UOPBUPOVLSFZRM-CQSZACIVSA-N 2 1 277.368 2.335 20 5 CEBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357056217 534879591 /nfs/dbraw/zinc/87/95/91/534879591.db2.gz SFJAPQHNCPVZBO-ZDUSSCGKSA-N 2 1 295.408 2.478 20 5 CEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000054602607 527144948 /nfs/dbraw/zinc/14/49/48/527144948.db2.gz CGFFBASNTUPQSD-AGUYFDCRSA-N 2 1 275.352 2.439 20 5 CEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000054602607 527144952 /nfs/dbraw/zinc/14/49/52/527144952.db2.gz CGFFBASNTUPQSD-AGUYFDCRSA-N 2 1 275.352 2.439 20 5 CEBDMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429030 634650072 /nfs/dbraw/zinc/65/00/72/634650072.db2.gz JJIDYFXBEBDGDZ-OBJOEFQTSA-N 2 1 277.368 2.428 20 5 CEBDMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429026 634650215 /nfs/dbraw/zinc/65/02/15/634650215.db2.gz JJIDYFXBEBDGDZ-DYEKYZERSA-N 2 1 277.368 2.428 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485743 635151887 /nfs/dbraw/zinc/15/18/87/635151887.db2.gz PRUDRBNFKPQCDK-HNNXBMFYSA-N 2 1 289.379 2.402 20 5 CEBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[NH2+]C1 ZINC000903757386 635260841 /nfs/dbraw/zinc/26/08/41/635260841.db2.gz CXPMMLPRVYYONV-AWEZNQCLSA-N 2 1 291.395 2.459 20 5 CEBDMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000904308198 635559129 /nfs/dbraw/zinc/55/91/29/635559129.db2.gz MJESRVSORJFZCK-BETUJISGSA-N 2 1 275.352 2.297 20 5 CEBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057389 639635364 /nfs/dbraw/zinc/63/53/64/639635364.db2.gz KCULOBMTPOGUGX-GFCCVEGCSA-N 2 1 283.759 2.480 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C[NH3+] ZINC000923498101 643741029 /nfs/dbraw/zinc/74/10/29/643741029.db2.gz JDVXHMZLLCAUSF-AAEUAGOBSA-N 2 1 263.341 2.012 20 5 CEBDMP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000866660404 647859340 /nfs/dbraw/zinc/85/93/40/647859340.db2.gz FDYLOTZTEMZVIH-AWEZNQCLSA-N 2 1 263.341 2.120 20 5 CEBDMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968041 811320818 /nfs/dbraw/zinc/32/08/18/811320818.db2.gz VDPUOHFBYQREDD-KGLIPLIRSA-N 2 1 271.405 2.143 20 5 CEBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001168992969 811325260 /nfs/dbraw/zinc/32/52/60/811325260.db2.gz LWMVXAOZTQAXNX-SOUVJXGZSA-N 2 1 295.427 2.428 20 5 CEBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001168992969 811325270 /nfs/dbraw/zinc/32/52/70/811325270.db2.gz LWMVXAOZTQAXNX-SOUVJXGZSA-N 2 1 295.427 2.428 20 5 CEBDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668390 361919587 /nfs/dbraw/zinc/91/95/87/361919587.db2.gz RTALSCDTFWTLDZ-JMSVASOKSA-N 2 1 277.368 2.413 20 5 CEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668390 361919593 /nfs/dbraw/zinc/91/95/93/361919593.db2.gz RTALSCDTFWTLDZ-JMSVASOKSA-N 2 1 277.368 2.413 20 5 CEBDMP CC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489033 345359323 /nfs/dbraw/zinc/35/93/23/345359323.db2.gz PJVAXIZRMNEPFJ-WFASDCNBSA-N 2 1 293.367 2.033 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596423700 346020162 /nfs/dbraw/zinc/02/01/62/346020162.db2.gz AKXZOXDLDOXEMD-UHFFFAOYSA-N 2 1 294.399 2.199 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)CCC[NH+](C)C ZINC000596423700 346020165 /nfs/dbraw/zinc/02/01/65/346020165.db2.gz AKXZOXDLDOXEMD-UHFFFAOYSA-N 2 1 294.399 2.199 20 5 CEBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667126 347132033 /nfs/dbraw/zinc/13/20/33/347132033.db2.gz NTKUDPPGPWINCH-CZUORRHYSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667126 347132035 /nfs/dbraw/zinc/13/20/35/347132035.db2.gz NTKUDPPGPWINCH-CZUORRHYSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667126 347132038 /nfs/dbraw/zinc/13/20/38/347132038.db2.gz NTKUDPPGPWINCH-CZUORRHYSA-N 2 1 291.395 2.409 20 5 CEBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602667126 347132042 /nfs/dbraw/zinc/13/20/42/347132042.db2.gz NTKUDPPGPWINCH-CZUORRHYSA-N 2 1 291.395 2.409 20 5 CEBDMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000603431130 347368619 /nfs/dbraw/zinc/36/86/19/347368619.db2.gz FCNGOOADPIOJEB-VXGBXAGGSA-N 2 1 283.759 2.464 20 5 CEBDMP C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000570527694 299263084 /nfs/dbraw/zinc/26/30/84/299263084.db2.gz QZGXLPWESFQWMK-SMDDNHRTSA-N 2 1 277.368 2.369 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000342089820 216215442 /nfs/dbraw/zinc/21/54/42/216215442.db2.gz BMGDTWAXPKMNHR-UHIISALHSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000342089820 216215444 /nfs/dbraw/zinc/21/54/44/216215444.db2.gz BMGDTWAXPKMNHR-UHIISALHSA-N 2 1 293.342 2.293 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346640314 368747068 /nfs/dbraw/zinc/74/70/68/368747068.db2.gz AYDMQZNIIDULLR-VXGBXAGGSA-N 2 1 263.341 2.072 20 5 CEBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000358374183 371037936 /nfs/dbraw/zinc/03/79/36/371037936.db2.gz YOFNZAGIOPXYER-SWLSCSKDSA-N 2 1 277.368 2.067 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423246669 377165937 /nfs/dbraw/zinc/16/59/37/377165937.db2.gz ZRFDNONGMSMHKG-LSDHHAIUSA-N 2 1 289.379 2.258 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000442922495 378019897 /nfs/dbraw/zinc/01/98/97/378019897.db2.gz ONEZBCJITBTGTA-CYBMUJFWSA-N 2 1 277.368 2.464 20 5 CEBDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037949 218101209 /nfs/dbraw/zinc/10/12/09/218101209.db2.gz GEMJYPIWPBPIMG-OCCSQVGLSA-N 2 1 277.368 2.462 20 5 CEBDMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347037949 218101210 /nfs/dbraw/zinc/10/12/10/218101210.db2.gz GEMJYPIWPBPIMG-OCCSQVGLSA-N 2 1 277.368 2.462 20 5 CEBDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000044534316 394506730 /nfs/dbraw/zinc/50/67/30/394506730.db2.gz AIOVMDAKLKIRQQ-CYBMUJFWSA-N 2 1 263.341 2.026 20 5 CEBDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000044534316 394506733 /nfs/dbraw/zinc/50/67/33/394506733.db2.gz AIOVMDAKLKIRQQ-CYBMUJFWSA-N 2 1 263.341 2.026 20 5 CEBDMP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000414879207 394783862 /nfs/dbraw/zinc/78/38/62/394783862.db2.gz IDLCQOGDHTZTCG-UTCJRWHESA-N 2 1 261.325 2.079 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910455 394799708 /nfs/dbraw/zinc/79/97/08/394799708.db2.gz VODUQOMUYHMMIX-CYBMUJFWSA-N 2 1 263.341 2.135 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000423386788 394909365 /nfs/dbraw/zinc/90/93/65/394909365.db2.gz RRHUKSXBEKLHPZ-DYEKYZERSA-N 2 1 277.368 2.256 20 5 CEBDMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423444432 394923315 /nfs/dbraw/zinc/92/33/15/394923315.db2.gz LUSSDPGVPMHCTD-NRUUGDAUSA-N 2 1 251.330 2.371 20 5 CEBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CCC1CC[NH2+]CC1 ZINC000420375851 395362088 /nfs/dbraw/zinc/36/20/88/395362088.db2.gz PXALHWJUAJENQY-UHFFFAOYSA-N 2 1 291.395 2.459 20 5 CEBDMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423178702 270861256 /nfs/dbraw/zinc/86/12/56/270861256.db2.gz GJNODWXIZBUFGE-NSHDSACASA-N 2 1 293.367 2.396 20 5 CEBDMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000123181308 276216773 /nfs/dbraw/zinc/21/67/73/276216773.db2.gz ODATWEJXPSTHSN-CZUORRHYSA-N 2 1 291.395 2.457 20 5 CEBDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049553541 524476390 /nfs/dbraw/zinc/47/63/90/524476390.db2.gz UXWFJRUKPFZHCG-NSHDSACASA-N 2 1 251.330 2.025 20 5 CEBDMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000902430689 634652817 /nfs/dbraw/zinc/65/28/17/634652817.db2.gz QBUPBRDTKZRBHU-SMDDNHRTSA-N 2 1 277.368 2.428 20 5 CEBDMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1[N+](=O)[O-] ZINC000925732933 628687442 /nfs/dbraw/zinc/68/74/42/628687442.db2.gz HGKLVLHFYLOSEL-KBPBESRZSA-N 2 1 275.352 2.263 20 5 CEBDMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000261564653 628939198 /nfs/dbraw/zinc/93/91/98/628939198.db2.gz DJJXSDXRBLJTPB-CYBMUJFWSA-N 2 1 263.341 2.073 20 5 CEBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000904405219 635612539 /nfs/dbraw/zinc/61/25/39/635612539.db2.gz IYXDPSFXDMMGEJ-JTQLQIEISA-N 2 1 283.759 2.419 20 5 CEBDMP C[N+](C)(C)CCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224770432 806945664 /nfs/dbraw/zinc/94/56/64/806945664.db2.gz ATHSKLNBFKAVHK-QGZVFWFLSA-N 2 1 277.432 2.374 20 5 CEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723697860 802925657 /nfs/dbraw/zinc/92/56/57/802925657.db2.gz CXUSQCCHNWTCRS-VXGBXAGGSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168967323 811318946 /nfs/dbraw/zinc/31/89/46/811318946.db2.gz ONVFUVZXTJRSDP-FZKCQIBNSA-N 2 1 297.443 2.389 20 5 CEBDMP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170318661 812384500 /nfs/dbraw/zinc/38/45/00/812384500.db2.gz QZVPXKAKZSGHRL-VXGBXAGGSA-N 2 1 295.383 2.061 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001173224829 815630130 /nfs/dbraw/zinc/63/01/30/815630130.db2.gz HBSBATUUNXUTPL-XJKCOSOUSA-N 2 1 291.395 2.456 20 5 CEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001173224829 815630136 /nfs/dbraw/zinc/63/01/36/815630136.db2.gz HBSBATUUNXUTPL-XJKCOSOUSA-N 2 1 291.395 2.456 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000128001077 187345902 /nfs/dbraw/zinc/34/59/02/187345902.db2.gz IRHPJKVCTTXPEY-GOEBONIOSA-N 2 1 289.379 2.354 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000591282641 345237576 /nfs/dbraw/zinc/23/75/76/345237576.db2.gz JRBAVSRYXVSLER-CYBMUJFWSA-N 2 1 275.352 2.359 20 5 CEBDMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593316084 345465367 /nfs/dbraw/zinc/46/53/67/345465367.db2.gz REZRGDAGRDMDBU-HOCLYGCPSA-N 2 1 289.379 2.464 20 5 CEBDMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593316084 345465372 /nfs/dbraw/zinc/46/53/72/345465372.db2.gz REZRGDAGRDMDBU-HOCLYGCPSA-N 2 1 289.379 2.464 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593314353 345465634 /nfs/dbraw/zinc/46/56/34/345465634.db2.gz DEHPDQVUYVCKLO-HOCLYGCPSA-N 2 1 289.379 2.464 20 5 CEBDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123140637 232206400 /nfs/dbraw/zinc/20/64/00/232206400.db2.gz SRCJYJNHPCUSFK-OCCSQVGLSA-N 2 1 277.368 2.210 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000594736088 345681935 /nfs/dbraw/zinc/68/19/35/345681935.db2.gz PGMDGDXECKLAAB-VHDGCEQUSA-N 2 1 289.379 2.258 20 5 CEBDMP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000070150176 363038818 /nfs/dbraw/zinc/03/88/18/363038818.db2.gz NYHRFULBFJIPEZ-ZDUSSCGKSA-N 2 1 293.367 2.307 20 5 CEBDMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000070150176 363038822 /nfs/dbraw/zinc/03/88/22/363038822.db2.gz NYHRFULBFJIPEZ-ZDUSSCGKSA-N 2 1 293.367 2.307 20 5 CEBDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000261622399 299388424 /nfs/dbraw/zinc/38/84/24/299388424.db2.gz UUXZFLMXAIOQSM-UHIISALHSA-N 2 1 263.341 2.243 20 5 CEBDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000221788264 370245989 /nfs/dbraw/zinc/24/59/89/370245989.db2.gz GYZHXYQKGRNNLI-UHFFFAOYSA-N 2 1 265.357 2.415 20 5 CEBDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000221788264 370245990 /nfs/dbraw/zinc/24/59/90/370245990.db2.gz GYZHXYQKGRNNLI-UHFFFAOYSA-N 2 1 265.357 2.415 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000386786022 375266394 /nfs/dbraw/zinc/26/63/94/375266394.db2.gz KXPODYUVIJUSPC-OKILXGFUSA-N 2 1 289.379 2.335 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414790043 375970982 /nfs/dbraw/zinc/97/09/82/375970982.db2.gz ZHSXOKPFTVQRCS-GJZGRUSLSA-N 2 1 289.379 2.416 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414790041 375971905 /nfs/dbraw/zinc/97/19/05/375971905.db2.gz ZHSXOKPFTVQRCS-CABCVRRESA-N 2 1 289.379 2.416 20 5 CEBDMP C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000293354647 377532614 /nfs/dbraw/zinc/53/26/14/377532614.db2.gz HCLCFENMCGZTNZ-RYUDHWBXSA-N 2 1 265.357 2.443 20 5 CEBDMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293919279 377826338 /nfs/dbraw/zinc/82/63/38/377826338.db2.gz XHFOXRLMUTYORD-NSHDSACASA-N 2 1 292.383 2.312 20 5 CEBDMP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000423339172 394891064 /nfs/dbraw/zinc/89/10/64/394891064.db2.gz ZHONLOPBQDSKDX-ZWNOBZJWSA-N 2 1 263.341 2.291 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313657 395318448 /nfs/dbraw/zinc/31/84/48/395318448.db2.gz PPJZNDMWDXBPDT-UPJWGTAASA-N 2 1 275.352 2.115 20 5 CEBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313657 395318454 /nfs/dbraw/zinc/31/84/54/395318454.db2.gz PPJZNDMWDXBPDT-UPJWGTAASA-N 2 1 275.352 2.115 20 5 CEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284291519 196022082 /nfs/dbraw/zinc/02/20/82/196022082.db2.gz XXKPNETZAKJNHF-JTQLQIEISA-N 2 1 289.339 2.033 20 5 CEBDMP Cc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435445090 281390195 /nfs/dbraw/zinc/39/01/95/281390195.db2.gz CLWWDCXLEBCULD-CQSZACIVSA-N 2 1 277.368 2.477 20 5 CEBDMP Cc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435445090 281390198 /nfs/dbraw/zinc/39/01/98/281390198.db2.gz CLWWDCXLEBCULD-CQSZACIVSA-N 2 1 277.368 2.477 20 5 CEBDMP C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000902429036 634650302 /nfs/dbraw/zinc/65/03/02/634650302.db2.gz JJIDYFXBEBDGDZ-YRGRVCCFSA-N 2 1 277.368 2.428 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261694505 629086075 /nfs/dbraw/zinc/08/60/75/629086075.db2.gz HTAGXOYLAGRENH-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261694505 629086078 /nfs/dbraw/zinc/08/60/78/629086078.db2.gz HTAGXOYLAGRENH-AWEZNQCLSA-N 2 1 263.341 2.074 20 5 CEBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CC[NH2+]C1 ZINC000261958480 629395332 /nfs/dbraw/zinc/39/53/32/629395332.db2.gz GYJNIXGWAJJYAJ-OAHLLOKOSA-N 2 1 277.368 2.069 20 5 CEBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CC[NH2+]C1 ZINC000261958480 629395338 /nfs/dbraw/zinc/39/53/38/629395338.db2.gz GYJNIXGWAJJYAJ-OAHLLOKOSA-N 2 1 277.368 2.069 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000228477575 639637363 /nfs/dbraw/zinc/63/73/63/639637363.db2.gz GHAAPJFQCYZDLI-LERXQTSPSA-N 2 1 293.342 2.293 20 5 CEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000228477575 639637371 /nfs/dbraw/zinc/63/73/71/639637371.db2.gz GHAAPJFQCYZDLI-LERXQTSPSA-N 2 1 293.342 2.293 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1C[NH3+] ZINC000923497954 643739500 /nfs/dbraw/zinc/73/95/00/643739500.db2.gz NNBBHNLSYZUMTC-QWRGUYRKSA-N 2 1 281.331 2.151 20 5 CEBDMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923500440 643742057 /nfs/dbraw/zinc/74/20/57/643742057.db2.gz QNDMSZYOSDAQRY-WDEREUQCSA-N 2 1 281.331 2.151 20 5 CEBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C)CC1 ZINC000866218203 647677299 /nfs/dbraw/zinc/67/72/99/647677299.db2.gz LWRUVOJZGOUZOX-LLVKDONJSA-N 2 1 295.358 2.349 20 5 CEBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000873008750 649530557 /nfs/dbraw/zinc/53/05/57/649530557.db2.gz CJVUWXOUVADLBA-UHFFFAOYSA-N 2 1 277.368 2.395 20 5 CEBDMP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC000723906694 802966576 /nfs/dbraw/zinc/96/65/76/802966576.db2.gz DMOJYFKECVBFOG-TZMCWYRMSA-N 2 1 277.368 2.054 20 5 CEBDMP CC1(C)CC[NH2+]CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000712588998 814754230 /nfs/dbraw/zinc/75/42/30/814754230.db2.gz QGAGDFHAUPZZLJ-UHFFFAOYSA-N 2 1 277.368 2.211 20 5 CEBDMP CC1(C)CC[NH2+]CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000712588998 814754233 /nfs/dbraw/zinc/75/42/33/814754233.db2.gz QGAGDFHAUPZZLJ-UHFFFAOYSA-N 2 1 277.368 2.211 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335648 346824616 /nfs/dbraw/zinc/82/46/16/346824616.db2.gz WQPYXUPFOHPUGT-ZBFHGGJFSA-N 2 1 289.379 2.211 20 5 CEBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000037644224 361915584 /nfs/dbraw/zinc/91/55/84/361915584.db2.gz REJBVHUAWPXNJS-ZDUSSCGKSA-N 2 1 263.341 2.026 20 5 CEBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000037644224 361915587 /nfs/dbraw/zinc/91/55/87/361915587.db2.gz REJBVHUAWPXNJS-ZDUSSCGKSA-N 2 1 263.341 2.026 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000122880120 344308026 /nfs/dbraw/zinc/30/80/26/344308026.db2.gz NLRHZXCQZIMZHY-OCCSQVGLSA-N 2 1 277.368 2.462 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000122880120 344308027 /nfs/dbraw/zinc/30/80/27/344308027.db2.gz NLRHZXCQZIMZHY-OCCSQVGLSA-N 2 1 277.368 2.462 20 5 CEBDMP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000591282642 345237138 /nfs/dbraw/zinc/23/71/38/345237138.db2.gz JRBAVSRYXVSLER-ZDUSSCGKSA-N 2 1 275.352 2.359 20 5 CEBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH3+] ZINC000591581568 345266902 /nfs/dbraw/zinc/26/69/02/345266902.db2.gz ZKUHXKQDPOVBRT-QWRGUYRKSA-N 2 1 283.397 2.402 20 5 CEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000070169349 363042462 /nfs/dbraw/zinc/04/24/62/363042462.db2.gz ZMCQKGIRSOSZLC-LBPRGKRZSA-N 2 1 263.341 2.156 20 5 CEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000230045610 370437713 /nfs/dbraw/zinc/43/77/13/370437713.db2.gz OUONGGXCHJHWHU-AEGPPILISA-N 2 1 275.352 2.154 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261575328 371657488 /nfs/dbraw/zinc/65/74/88/371657488.db2.gz BLURZDQVJOZHID-SMDDNHRTSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261575328 371657491 /nfs/dbraw/zinc/65/74/91/371657491.db2.gz BLURZDQVJOZHID-SMDDNHRTSA-N 2 1 263.341 2.327 20 5 CEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414821496 376009611 /nfs/dbraw/zinc/00/96/11/376009611.db2.gz CGOKBFSJRLNAJS-TZMCWYRMSA-N 2 1 277.368 2.258 20 5 CEBDMP Cc1c([C@H](C)[NH2+]CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000423282638 377209521 /nfs/dbraw/zinc/20/95/21/377209521.db2.gz DBGDABAOOOFVBH-JTQLQIEISA-N 2 1 251.330 2.291 20 5 CEBDMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000423332835 377263453 /nfs/dbraw/zinc/26/34/53/377263453.db2.gz RGCAWODVSMLXBZ-NSHDSACASA-N 2 1 263.341 2.435 20 5 CEBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000314789138 249404567 /nfs/dbraw/zinc/40/45/67/249404567.db2.gz RFSMMTMBMFVKHG-GASCZTMLSA-N 2 1 289.379 2.069 20 5 CEBDMP C[C@H](CC[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414877555 394784512 /nfs/dbraw/zinc/78/45/12/394784512.db2.gz GEFQMDIIXMIMPZ-MRVPVSSYSA-N 2 1 257.721 2.075 20 5 CEBDMP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414910378 394799810 /nfs/dbraw/zinc/79/98/10/394799810.db2.gz VCPYHYYWDUPVKE-CYBMUJFWSA-N 2 1 263.341 2.135 20 5 CEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423526671 394945893 /nfs/dbraw/zinc/94/58/93/394945893.db2.gz QOFRCDPXANRGBO-XJKCOSOUSA-N 2 1 291.395 2.443 20 5 CEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000397322217 395222222 /nfs/dbraw/zinc/22/22/22/395222222.db2.gz TUELYXUSHLSGKK-NFAWXSAZSA-N 2 1 291.395 2.443 20 5 CEBDMP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746592 174391968 /nfs/dbraw/zinc/39/19/68/174391968.db2.gz JBKMWWGRZDADOE-NNQSOWQGSA-N 2 1 275.352 2.310 20 5 CEBDMP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746592 174391970 /nfs/dbraw/zinc/39/19/70/174391970.db2.gz JBKMWWGRZDADOE-NNQSOWQGSA-N 2 1 275.352 2.310 20 5 CEBDMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422946413 280975342 /nfs/dbraw/zinc/97/53/42/280975342.db2.gz ONHVAMVOKMQFCE-UONOGXRCSA-N 2 1 263.341 2.344 20 5 CEBDMP Cc1ccc(CNCCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000580328481 322311556 /nfs/dbraw/zinc/31/15/56/322311556.db2.gz VWFGBAZOUNGBHR-UHFFFAOYSA-N 2 1 263.341 2.089 20 5 CEBDMP Cc1c(C[NH2+][C@H](C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000049557378 525726852 /nfs/dbraw/zinc/72/68/52/525726852.db2.gz WIDCQXNDROROGB-LLVKDONJSA-N 2 1 265.357 2.333 20 5 CEBDMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000902429035 634650181 /nfs/dbraw/zinc/65/01/81/634650181.db2.gz JJIDYFXBEBDGDZ-SGMGOOAPSA-N 2 1 277.368 2.428 20 5 CEBDMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)C ZINC001168956539 811312725 /nfs/dbraw/zinc/31/27/25/811312725.db2.gz BMRUXEXKDFWRRM-ZIAGYGMSSA-N 2 1 271.405 2.140 20 5 CEBDMP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902452 815540624 /nfs/dbraw/zinc/54/06/24/815540624.db2.gz YOSXHOMIERBWAX-ZBFHGGJFSA-N 2 1 289.379 2.265 20 5 CEBDMP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902452 815540629 /nfs/dbraw/zinc/54/06/29/815540629.db2.gz YOSXHOMIERBWAX-ZBFHGGJFSA-N 2 1 289.379 2.265 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335619 346824750 /nfs/dbraw/zinc/82/47/50/346824750.db2.gz WKWFIAYNUHWBFZ-ZFWWWQNUSA-N 2 1 275.352 2.169 20 5 CEBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335619 346824752 /nfs/dbraw/zinc/82/47/52/346824752.db2.gz WKWFIAYNUHWBFZ-ZFWWWQNUSA-N 2 1 275.352 2.169 20 5 CEBDMP CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122381026 344306015 /nfs/dbraw/zinc/30/60/15/344306015.db2.gz TVOITARIADJRMT-OCCSQVGLSA-N 2 1 263.341 2.154 20 5 CEBDMP CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122381026 344306017 /nfs/dbraw/zinc/30/60/17/344306017.db2.gz TVOITARIADJRMT-OCCSQVGLSA-N 2 1 263.341 2.154 20 5 CEBDMP C[N@H+]1CCCC[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000598993408 346443392 /nfs/dbraw/zinc/44/33/92/346443392.db2.gz BAQRWCCYEXGTAC-AWEZNQCLSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598993408 346443395 /nfs/dbraw/zinc/44/33/95/346443395.db2.gz BAQRWCCYEXGTAC-AWEZNQCLSA-N 2 1 277.368 2.416 20 5 CEBDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598993408 346443396 /nfs/dbraw/zinc/44/33/96/346443396.db2.gz BAQRWCCYEXGTAC-AWEZNQCLSA-N 2 1 277.368 2.416 20 5 CEBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000600682546 346673010 /nfs/dbraw/zinc/67/30/10/346673010.db2.gz PGMDGDXECKLAAB-YUELXQCFSA-N 2 1 289.379 2.258 20 5 CEBDMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000603431123 347368464 /nfs/dbraw/zinc/36/84/64/347368464.db2.gz FCNGOOADPIOJEB-NEPJUHHUSA-N 2 1 283.759 2.464 20 5 CEBDMP O=[N+]([O-])c1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297693521 200262827 /nfs/dbraw/zinc/26/28/27/200262827.db2.gz QAKYNUCPCDCKSG-UHFFFAOYSA-N 2 1 289.379 2.354 20 5 CEBDMP CC[NH+](CC)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000013734420 361440013 /nfs/dbraw/zinc/44/00/13/361440013.db2.gz FUBNNOYJAFREKL-UHFFFAOYSA-N 2 1 265.357 2.416 20 5 CEBDMP Cc1c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000163241538 367225906 /nfs/dbraw/zinc/22/59/06/367225906.db2.gz ADDLPNMUNPAWNF-DGCLKSJQSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346640313 368746335 /nfs/dbraw/zinc/74/63/35/368746335.db2.gz AYDMQZNIIDULLR-RYUDHWBXSA-N 2 1 263.341 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352525628 369772638 /nfs/dbraw/zinc/77/26/38/369772638.db2.gz HRECOLLNDCCYEQ-MRXNPFEDSA-N 2 1 289.379 2.479 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352525628 369772644 /nfs/dbraw/zinc/77/26/44/369772644.db2.gz HRECOLLNDCCYEQ-MRXNPFEDSA-N 2 1 289.379 2.479 20 5 CEBDMP C[N@@H+]1C[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000194540985 370048557 /nfs/dbraw/zinc/04/85/57/370048557.db2.gz SBDBPJZXXHVCQB-LPZJRDJDSA-N 2 1 287.363 2.101 20 5 CEBDMP C[C@]1(C[NH3+])CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000261833938 371746158 /nfs/dbraw/zinc/74/61/58/371746158.db2.gz QEUGUAHZNRDFNM-CSPWOOARSA-N 2 1 275.352 2.279 20 5 CEBDMP C[C@]1(C[NH3+])CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000261833938 371746168 /nfs/dbraw/zinc/74/61/68/371746168.db2.gz QEUGUAHZNRDFNM-CSPWOOARSA-N 2 1 275.352 2.279 20 5 CEBDMP CC(C)[C@H]([NH3+])C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414795133 375978468 /nfs/dbraw/zinc/97/84/68/375978468.db2.gz MQLIFDHMICEBNZ-SCXUMTSISA-N 2 1 263.341 2.181 20 5 CEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000131714502 296240905 /nfs/dbraw/zinc/24/09/05/296240905.db2.gz WRQKOIJCZSTTNB-WOPDTQHZSA-N 2 1 263.341 2.325 20 5 CEBDMP C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000423017616 376933406 /nfs/dbraw/zinc/93/34/06/376933406.db2.gz WUXBJQPEVSFMRU-WFASDCNBSA-N 2 1 277.368 2.258 20 5 CEBDMP C[NH2+]CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430953384 377574420 /nfs/dbraw/zinc/57/44/20/377574420.db2.gz BSMDMENZDGWPCS-UHFFFAOYSA-N 2 1 281.331 2.165 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346836727 218029994 /nfs/dbraw/zinc/02/99/94/218029994.db2.gz VBOITAZUEILMII-AEGPPILISA-N 2 1 275.352 2.072 20 5 CEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347071474 218112277 /nfs/dbraw/zinc/11/22/77/218112277.db2.gz QDQBQSMQJIFPON-LBPRGKRZSA-N 2 1 263.341 2.074 20 5 CEBDMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000422946412 394869131 /nfs/dbraw/zinc/86/91/31/394869131.db2.gz ONHVAMVOKMQFCE-KGLIPLIRSA-N 2 1 263.341 2.344 20 5 CEBDMP Cc1c(C[N@@H+]2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000044531291 175195942 /nfs/dbraw/zinc/19/59/42/175195942.db2.gz QBTZHXJWLYLMFD-GFCCVEGCSA-N 2 1 263.341 2.074 20 5 CEBDMP Cc1c(C[N@H+]2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000044531291 175195945 /nfs/dbraw/zinc/19/59/45/175195945.db2.gz QBTZHXJWLYLMFD-GFCCVEGCSA-N 2 1 263.341 2.074 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397227193 270352804 /nfs/dbraw/zinc/35/28/04/270352804.db2.gz CPEKQQRLNHPHMG-DYEKYZERSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397227193 270352806 /nfs/dbraw/zinc/35/28/06/270352806.db2.gz CPEKQQRLNHPHMG-DYEKYZERSA-N 2 1 277.368 2.400 20 5 CEBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000430588072 271396690 /nfs/dbraw/zinc/39/66/90/271396690.db2.gz BUHOAUKGTOAOAH-QWHCGFSZSA-N 2 1 293.367 2.033 20 5 CEBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459736708 290221540 /nfs/dbraw/zinc/22/15/40/290221540.db2.gz QRAADYSWVQDTDX-AWEZNQCLSA-N 2 1 277.368 2.416 20 5 CEBDMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903964770 635398868 /nfs/dbraw/zinc/39/88/68/635398868.db2.gz QVDDBXQOQHXQRN-KOLCDFICSA-N 2 1 283.759 2.193 20 5 CEBDMP CC(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000906507584 636757694 /nfs/dbraw/zinc/75/76/94/636757694.db2.gz ARCUNGBMVDGJPA-HAQNSBGRSA-N 2 1 263.341 2.298 20 5 CEBDMP C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000846217358 641225723 /nfs/dbraw/zinc/22/57/23/641225723.db2.gz FHQSLZPISCCRBH-UHFFFAOYSA-N 2 1 279.340 2.002 20 5 CEBDMP Cc1c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000923499937 643741017 /nfs/dbraw/zinc/74/10/17/643741017.db2.gz OREPHOJCEYPVTJ-YPMHNXCESA-N 2 1 277.368 2.320 20 5 CEBDMP