smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH3+])CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423225125 236000672 /nfs/dbraw/zinc/00/06/72/236000672.db2.gz LHQAIWKNLBPSGM-GUYCJALGSA-N 2 1 299.374 3.011 20 5 CGBDMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565088 189300861 /nfs/dbraw/zinc/30/08/61/189300861.db2.gz HCCXSHKOSHCTNO-GOEBONIOSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247252829 377185592 /nfs/dbraw/zinc/18/55/92/377185592.db2.gz YKVOHTAXEBUCJL-AEGPPILISA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020128894 171016606 /nfs/dbraw/zinc/01/66/06/171016606.db2.gz XSIYLDCTDIONSJ-AWEZNQCLSA-N 2 1 291.395 3.121 20 5 CGBDMP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010406 369050386 /nfs/dbraw/zinc/05/03/86/369050386.db2.gz QRNOCKIKADUDCH-OAHLLOKOSA-N 2 1 293.411 3.223 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000423182588 372010598 /nfs/dbraw/zinc/01/05/98/372010598.db2.gz QLPKOMNIVNRUMY-CYBMUJFWSA-N 2 1 291.395 3.215 20 5 CGBDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161111062 279537370 /nfs/dbraw/zinc/53/73/70/279537370.db2.gz YPGYQBHZMGZLFL-NOLJZWGESA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725675 288343473 /nfs/dbraw/zinc/34/34/73/288343473.db2.gz MLRJLNHKUQSGNN-IHRRRGAJSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725675 288343475 /nfs/dbraw/zinc/34/34/75/288343475.db2.gz MLRJLNHKUQSGNN-IHRRRGAJSA-N 2 1 291.395 3.037 20 5 CGBDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287397 621670429 /nfs/dbraw/zinc/67/04/29/621670429.db2.gz OWUBCQCZDARMKL-TZMCWYRMSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287397 621670435 /nfs/dbraw/zinc/67/04/35/621670435.db2.gz OWUBCQCZDARMKL-TZMCWYRMSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161111192 188509040 /nfs/dbraw/zinc/50/90/40/188509040.db2.gz YPGYQBHZMGZLFL-INWMFGNUSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178413021 189114343 /nfs/dbraw/zinc/11/43/43/189114343.db2.gz GZOOFHOSIIVQSE-CQSZACIVSA-N 2 1 291.395 3.040 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132136225 287397821 /nfs/dbraw/zinc/39/78/21/287397821.db2.gz CFCAATKJCGGPIE-ZDUSSCGKSA-N 2 1 293.411 3.142 20 5 CGBDMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576761 280194411 /nfs/dbraw/zinc/19/44/11/280194411.db2.gz PXIVNDMNFXNQQC-XNRPHZJLSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576761 280194415 /nfs/dbraw/zinc/19/44/15/280194415.db2.gz PXIVNDMNFXNQQC-XNRPHZJLSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266055 533995651 /nfs/dbraw/zinc/99/56/51/533995651.db2.gz RSRPNZBHMRCHRD-BLLLJJGKSA-N 2 1 291.395 3.153 20 5 CGBDMP CCC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423397857 528241769 /nfs/dbraw/zinc/24/17/69/528241769.db2.gz VAIFRMOOTZDNLY-NOLJZWGESA-N 2 1 291.395 3.166 20 5 CGBDMP C[C@@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725266 347214355 /nfs/dbraw/zinc/21/43/55/347214355.db2.gz XTMBMBALHMSCFJ-DOMZBBRYSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725266 347214358 /nfs/dbraw/zinc/21/43/58/347214358.db2.gz XTMBMBALHMSCFJ-DOMZBBRYSA-N 2 1 291.395 3.118 20 5 CGBDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414819501 380429939 /nfs/dbraw/zinc/42/99/39/380429939.db2.gz YXFGYNZKGWWJFM-UKRRQHHQSA-N 2 1 293.411 3.023 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247255539 290009297 /nfs/dbraw/zinc/00/92/97/290009297.db2.gz YPGYQBHZMGZLFL-JGGQBBKZSA-N 2 1 291.395 3.118 20 5 CGBDMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423290402 528950851 /nfs/dbraw/zinc/95/08/51/528950851.db2.gz ZZRKCZBVIYUPRJ-OAHLLOKOSA-N 2 1 291.395 3.079 20 5 CGBDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293776 528823995 /nfs/dbraw/zinc/82/39/95/528823995.db2.gz ASKGTGOWHBILOB-DZGCQCFKSA-N 2 1 279.384 3.153 20 5 CGBDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535817 529202151 /nfs/dbraw/zinc/20/21/51/529202151.db2.gz YMXGPJFVMISOTH-CVEARBPZSA-N 2 1 291.395 3.153 20 5 CGBDMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726176 191293404 /nfs/dbraw/zinc/29/34/04/191293404.db2.gz YTIHPTXLKGINAG-ZFWWWQNUSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726176 191293405 /nfs/dbraw/zinc/29/34/05/191293405.db2.gz YTIHPTXLKGINAG-ZFWWWQNUSA-N 2 1 291.395 3.120 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772503 392320111 /nfs/dbraw/zinc/32/01/11/392320111.db2.gz NFQOKFXLVJVZPG-XBFCOCLRSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772503 392320113 /nfs/dbraw/zinc/32/01/13/392320113.db2.gz NFQOKFXLVJVZPG-XBFCOCLRSA-N 2 1 291.395 3.037 20 5 CGBDMP CCC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262010 529018488 /nfs/dbraw/zinc/01/84/88/529018488.db2.gz LJUHZCXHGKPUSB-GDBMZVCRSA-N 2 1 293.411 3.399 20 5 CGBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCCCC[NH3+] ZINC000873231795 634294696 /nfs/dbraw/zinc/29/46/96/634294696.db2.gz VNHGCTQQWSDLPI-CSKARUKUSA-N 2 1 291.395 3.059 20 5 CGBDMP [NH3+]CCCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000846220154 636162358 /nfs/dbraw/zinc/16/23/58/636162358.db2.gz DUPJVDUYOWELHE-UHFFFAOYSA-N 2 1 291.395 3.078 20 5 CGBDMP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000037010446 369049598 /nfs/dbraw/zinc/04/95/98/369049598.db2.gz DKDGEZVNJSRDGZ-MRXNPFEDSA-N 2 1 293.411 3.367 20 5 CGBDMP CCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423264154 529010751 /nfs/dbraw/zinc/01/07/51/529010751.db2.gz BOVRCPBLDUCLOJ-LSDHHAIUSA-N 2 1 279.384 3.009 20 5 CGBDMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000902372334 621277312 /nfs/dbraw/zinc/27/73/12/621277312.db2.gz XDNVEPRZUVJVIX-OLZOCXBDSA-N 2 1 291.395 3.024 20 5 CGBDMP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499751 236086943 /nfs/dbraw/zinc/08/69/43/236086943.db2.gz JORXGUZBENBQCW-IUODEOHRSA-N 2 1 291.395 3.071 20 5 CGBDMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037117811 369063305 /nfs/dbraw/zinc/06/33/05/369063305.db2.gz IOTIHHADYUXQGS-CYBMUJFWSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725674 288343462 /nfs/dbraw/zinc/34/34/62/288343462.db2.gz MLRJLNHKUQSGNN-HZSPNIEDSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725674 288343464 /nfs/dbraw/zinc/34/34/64/288343464.db2.gz MLRJLNHKUQSGNN-HZSPNIEDSA-N 2 1 291.395 3.037 20 5 CGBDMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000902372333 621277492 /nfs/dbraw/zinc/27/74/92/621277492.db2.gz XDNVEPRZUVJVIX-CHWSQXEVSA-N 2 1 291.395 3.024 20 5 CGBDMP Cc1ccc([N+](=O)[O-])c(C)c1CNCCC[N@H+](C)C(C)C ZINC001177231127 809788407 /nfs/dbraw/zinc/78/84/07/809788407.db2.gz BPULFXWQHRRIEL-UHFFFAOYSA-N 2 1 293.411 3.032 20 5 CGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC001177231127 809788409 /nfs/dbraw/zinc/78/84/09/809788409.db2.gz BPULFXWQHRRIEL-UHFFFAOYSA-N 2 1 293.411 3.032 20 5 CGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC001177231127 809788410 /nfs/dbraw/zinc/78/84/10/809788410.db2.gz BPULFXWQHRRIEL-UHFFFAOYSA-N 2 1 293.411 3.032 20 5 CGBDMP Cc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000414856884 380457792 /nfs/dbraw/zinc/45/77/92/380457792.db2.gz BEZPBLOYHCIJRX-UHFFFAOYSA-N 2 1 291.395 3.045 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420287335 281021448 /nfs/dbraw/zinc/02/14/48/281021448.db2.gz HVRYNDIMDZHJGK-HZSPNIEDSA-N 2 1 291.395 3.023 20 5 CGBDMP CCC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262011 529021628 /nfs/dbraw/zinc/02/16/28/529021628.db2.gz LJUHZCXHGKPUSB-GOEBONIOSA-N 2 1 293.411 3.399 20 5 CGBDMP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000925759357 638601601 /nfs/dbraw/zinc/60/16/01/638601601.db2.gz MVYDQUASZGSLMM-CYBMUJFWSA-N 2 1 291.395 3.168 20 5 CGBDMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@@H]12 ZINC001235285145 819061801 /nfs/dbraw/zinc/06/18/01/819061801.db2.gz PGYDNLREUKZDTR-ACDBMABISA-N 2 1 288.394 3.382 20 5 CGBDMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593715230 347106476 /nfs/dbraw/zinc/10/64/76/347106476.db2.gz JRDJHWCGFHYTHO-AWEZNQCLSA-N 2 1 293.411 3.223 20 5 CGBDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593715230 347106478 /nfs/dbraw/zinc/10/64/78/347106478.db2.gz JRDJHWCGFHYTHO-AWEZNQCLSA-N 2 1 293.411 3.223 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420285542 393449654 /nfs/dbraw/zinc/44/96/54/393449654.db2.gz FBPVKKLLKLZDRL-BBRMVZONSA-N 2 1 293.411 3.269 20 5 CGBDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453431384 278343739 /nfs/dbraw/zinc/34/37/39/278343739.db2.gz REWQWJYPNWMMNV-CYBMUJFWSA-N 2 1 291.395 3.120 20 5 CGBDMP CC(C)c1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594738814 347215757 /nfs/dbraw/zinc/21/57/57/347215757.db2.gz OEYUKTSCLRQJLA-UHFFFAOYSA-N 2 1 291.395 3.079 20 5 CGBDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131430377 371108117 /nfs/dbraw/zinc/10/81/17/371108117.db2.gz AMIOGZXNAMLRDP-CQSZACIVSA-N 2 1 293.411 3.286 20 5 CGBDMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423198202 372023386 /nfs/dbraw/zinc/02/33/86/372023386.db2.gz DPTASMIOWQWTIO-ZDUSSCGKSA-N 2 1 291.395 3.297 20 5 CGBDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535819 393671665 /nfs/dbraw/zinc/67/16/65/393671665.db2.gz YMXGPJFVMISOTH-HZPDHXFCSA-N 2 1 291.395 3.153 20 5 CGBDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453438129 394245563 /nfs/dbraw/zinc/24/55/63/394245563.db2.gz VOTARLSNIYQNTP-CYBMUJFWSA-N 2 1 291.395 3.120 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000531944887 270211108 /nfs/dbraw/zinc/21/11/08/270211108.db2.gz AMMFJKTZRGXJCD-CQSZACIVSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000531944887 270211109 /nfs/dbraw/zinc/21/11/09/270211109.db2.gz AMMFJKTZRGXJCD-CQSZACIVSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499750 533949505 /nfs/dbraw/zinc/94/95/05/533949505.db2.gz JORXGUZBENBQCW-DOMZBBRYSA-N 2 1 291.395 3.071 20 5 CGBDMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593181788 347048884 /nfs/dbraw/zinc/04/88/84/347048884.db2.gz IERQFMYQZFHNCW-CQSZACIVSA-N 2 1 293.411 3.223 20 5 CGBDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593181788 347048887 /nfs/dbraw/zinc/04/88/87/347048887.db2.gz IERQFMYQZFHNCW-CQSZACIVSA-N 2 1 293.411 3.223 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000181844374 189307879 /nfs/dbraw/zinc/30/78/79/189307879.db2.gz PAWVDTJPXDPUGX-DZGCQCFKSA-N 2 1 291.395 3.038 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000181844374 189307880 /nfs/dbraw/zinc/30/78/80/189307880.db2.gz PAWVDTJPXDPUGX-DZGCQCFKSA-N 2 1 291.395 3.038 20 5 CGBDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020189490 171055782 /nfs/dbraw/zinc/05/57/82/171055782.db2.gz NCROGXDZQJGEFU-ZDUSSCGKSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001461834620 937600516 /nfs/dbraw/zinc/60/05/16/937600516.db2.gz VMIYOYVOEJBQQW-ZDUSSCGKSA-N 2 1 293.411 3.113 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564546 188269131 /nfs/dbraw/zinc/26/91/31/188269131.db2.gz UMUXGTWZPATWJF-VNHYZAJKSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564546 188269133 /nfs/dbraw/zinc/26/91/33/188269133.db2.gz UMUXGTWZPATWJF-VNHYZAJKSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000181844322 189308211 /nfs/dbraw/zinc/30/82/11/189308211.db2.gz PAWVDTJPXDPUGX-HIFRSBDPSA-N 2 1 291.395 3.038 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000181844322 189308212 /nfs/dbraw/zinc/30/82/12/189308212.db2.gz PAWVDTJPXDPUGX-HIFRSBDPSA-N 2 1 291.395 3.038 20 5 CGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424374209 528100380 /nfs/dbraw/zinc/10/03/80/528100380.db2.gz HUALAWOVHOBRBS-HUUCEWRRSA-N 2 1 291.395 3.078 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420312115 393461745 /nfs/dbraw/zinc/46/17/45/393461745.db2.gz OIDABRNKUBBDAC-UONOGXRCSA-N 2 1 291.395 3.025 20 5 CGBDMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020189493 171055787 /nfs/dbraw/zinc/05/57/87/171055787.db2.gz NCROGXDZQJGEFU-CYBMUJFWSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000531944886 270211120 /nfs/dbraw/zinc/21/11/20/270211120.db2.gz AMMFJKTZRGXJCD-AWEZNQCLSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000531944886 270211121 /nfs/dbraw/zinc/21/11/21/270211121.db2.gz AMMFJKTZRGXJCD-AWEZNQCLSA-N 2 1 293.411 3.284 20 5 CGBDMP C[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725809 347214044 /nfs/dbraw/zinc/21/40/44/347214044.db2.gz XTMBMBALHMSCFJ-SWLSCSKDSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725809 347214045 /nfs/dbraw/zinc/21/40/45/347214045.db2.gz XTMBMBALHMSCFJ-SWLSCSKDSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420287340 393449966 /nfs/dbraw/zinc/44/99/66/393449966.db2.gz HVRYNDIMDZHJGK-MELADBBJSA-N 2 1 291.395 3.023 20 5 CGBDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000710706691 800038270 /nfs/dbraw/zinc/03/82/70/800038270.db2.gz WYIWHMVJCTTZAX-UHFFFAOYSA-N 2 1 299.802 3.199 20 5 CGBDMP CC[C@H]([NH2+]CC([NH3+])(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000423288066 529590527 /nfs/dbraw/zinc/59/05/27/529590527.db2.gz QIKZZZYYJMBNTG-AWEZNQCLSA-N 2 1 279.384 3.153 20 5 CGBDMP CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488661 346992836 /nfs/dbraw/zinc/99/28/36/346992836.db2.gz KXFWETPNMLOSTP-XJKCOSOUSA-N 2 1 291.395 3.023 20 5 CGBDMP CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488661 346992839 /nfs/dbraw/zinc/99/28/39/346992839.db2.gz KXFWETPNMLOSTP-XJKCOSOUSA-N 2 1 291.395 3.023 20 5 CGBDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954742 347701002 /nfs/dbraw/zinc/70/10/02/347701002.db2.gz GHHBSMFBMCMNDS-TZMCWYRMSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954742 347701004 /nfs/dbraw/zinc/70/10/04/347701004.db2.gz GHHBSMFBMCMNDS-TZMCWYRMSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000037010445 369049773 /nfs/dbraw/zinc/04/97/73/369049773.db2.gz DKDGEZVNJSRDGZ-INIZCTEOSA-N 2 1 293.411 3.367 20 5 CGBDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576889 392547942 /nfs/dbraw/zinc/54/79/42/392547942.db2.gz PXIVNDMNFXNQQC-INWMFGNUSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576889 392547948 /nfs/dbraw/zinc/54/79/48/392547948.db2.gz PXIVNDMNFXNQQC-INWMFGNUSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726168 191293838 /nfs/dbraw/zinc/29/38/38/191293838.db2.gz YTIHPTXLKGINAG-HIFRSBDPSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726168 191293841 /nfs/dbraw/zinc/29/38/41/191293841.db2.gz YTIHPTXLKGINAG-HIFRSBDPSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000160998789 372294816 /nfs/dbraw/zinc/29/48/16/372294816.db2.gz YKVOHTAXEBUCJL-SNPRPXQTSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161110961 372302077 /nfs/dbraw/zinc/30/20/77/372302077.db2.gz YPGYQBHZMGZLFL-XPKDYRNWSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420312113 393461053 /nfs/dbraw/zinc/46/10/53/393461053.db2.gz OIDABRNKUBBDAC-KGLIPLIRSA-N 2 1 291.395 3.025 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000531689077 270208942 /nfs/dbraw/zinc/20/89/42/270208942.db2.gz NEEWARZCBLDFMR-CQSZACIVSA-N 2 1 291.395 3.040 20 5 CGBDMP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263743 529668718 /nfs/dbraw/zinc/66/87/18/529668718.db2.gz OUWQXTUPCOKTSK-ZFWWWQNUSA-N 2 1 279.384 3.009 20 5 CGBDMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954741 347700536 /nfs/dbraw/zinc/70/05/36/347700536.db2.gz GHHBSMFBMCMNDS-OCCSQVGLSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954741 347700540 /nfs/dbraw/zinc/70/05/40/347700540.db2.gz GHHBSMFBMCMNDS-OCCSQVGLSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954740 347700909 /nfs/dbraw/zinc/70/09/09/347700909.db2.gz GHHBSMFBMCMNDS-JSGCOSHPSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954740 347700911 /nfs/dbraw/zinc/70/09/11/347700911.db2.gz GHHBSMFBMCMNDS-JSGCOSHPSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287396 621670688 /nfs/dbraw/zinc/67/06/88/621670688.db2.gz OWUBCQCZDARMKL-OCCSQVGLSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287396 621670689 /nfs/dbraw/zinc/67/06/89/621670689.db2.gz OWUBCQCZDARMKL-OCCSQVGLSA-N 2 1 291.395 3.118 20 5 CGBDMP CCC1([NH3+])CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000925756595 638599393 /nfs/dbraw/zinc/59/93/93/638599393.db2.gz MLLVBCLYVCBLLQ-CYBMUJFWSA-N 2 1 291.395 3.168 20 5 CGBDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000160998649 372295215 /nfs/dbraw/zinc/29/52/15/372295215.db2.gz YKVOHTAXEBUCJL-QEJZJMRPSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@H](NCCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000221919662 376223810 /nfs/dbraw/zinc/22/38/10/376223810.db2.gz JXGJUARURXCILD-INIZCTEOSA-N 2 1 293.411 3.366 20 5 CGBDMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000221919662 376223812 /nfs/dbraw/zinc/22/38/12/376223812.db2.gz JXGJUARURXCILD-INIZCTEOSA-N 2 1 293.411 3.366 20 5 CGBDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000221919662 376223816 /nfs/dbraw/zinc/22/38/16/376223816.db2.gz JXGJUARURXCILD-INIZCTEOSA-N 2 1 293.411 3.366 20 5 CGBDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258380 533536742 /nfs/dbraw/zinc/53/67/42/533536742.db2.gz BKCZMVWHRWNOPV-MLGOLLRUSA-N 2 1 291.395 3.153 20 5 CGBDMP C[C@H]([NH3+])CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423225126 393655147 /nfs/dbraw/zinc/65/51/47/393655147.db2.gz LHQAIWKNLBPSGM-SUMWQHHRSA-N 2 1 299.374 3.011 20 5 CGBDMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000038098035 174112903 /nfs/dbraw/zinc/11/29/03/174112903.db2.gz LCEISFPZKNEJNG-INIZCTEOSA-N 2 1 291.395 3.120 20 5 CGBDMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843056498 635553691 /nfs/dbraw/zinc/55/36/91/635553691.db2.gz NUNIZKYWVTYLPI-CYBMUJFWSA-N 2 1 299.802 3.053 20 5 CGBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843056498 635553699 /nfs/dbraw/zinc/55/36/99/635553699.db2.gz NUNIZKYWVTYLPI-CYBMUJFWSA-N 2 1 299.802 3.053 20 5 CGBDMP C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181370 639289593 /nfs/dbraw/zinc/28/95/93/639289593.db2.gz PSCSOWQCUYQCFK-UKRRQHHQSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181370 639289602 /nfs/dbraw/zinc/28/96/02/639289602.db2.gz PSCSOWQCUYQCFK-UKRRQHHQSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725806 347214394 /nfs/dbraw/zinc/21/43/94/347214394.db2.gz XTMBMBALHMSCFJ-IUODEOHRSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725806 347214395 /nfs/dbraw/zinc/21/43/95/347214395.db2.gz XTMBMBALHMSCFJ-IUODEOHRSA-N 2 1 291.395 3.118 20 5 CGBDMP [NH3+]CCCCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000846220303 636162977 /nfs/dbraw/zinc/16/29/77/636162977.db2.gz FFVXQBXCKWVNNU-UHFFFAOYSA-N 2 1 291.395 3.078 20 5 CGBDMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423198201 372023377 /nfs/dbraw/zinc/02/33/77/372023377.db2.gz DPTASMIOWQWTIO-CYBMUJFWSA-N 2 1 291.395 3.297 20 5 CGBDMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000159292387 372127557 /nfs/dbraw/zinc/12/75/57/372127557.db2.gz MCCGAJFIHNHAGM-ZDUSSCGKSA-N 2 1 291.395 3.038 20 5 CGBDMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296751568 373235067 /nfs/dbraw/zinc/23/50/67/373235067.db2.gz PSCSOWQCUYQCFK-ZFWWWQNUSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296751568 373235074 /nfs/dbraw/zinc/23/50/74/373235074.db2.gz PSCSOWQCUYQCFK-ZFWWWQNUSA-N 2 1 291.395 3.120 20 5 CGBDMP Cc1ccc([C@H](C)NCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221915525 376223652 /nfs/dbraw/zinc/22/36/52/376223652.db2.gz KIWWLMXEECVHQX-AWEZNQCLSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221915525 376223655 /nfs/dbraw/zinc/22/36/55/376223655.db2.gz KIWWLMXEECVHQX-AWEZNQCLSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221915525 376223659 /nfs/dbraw/zinc/22/36/59/376223659.db2.gz KIWWLMXEECVHQX-AWEZNQCLSA-N 2 1 293.411 3.284 20 5 CGBDMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423282584 528953459 /nfs/dbraw/zinc/95/34/59/528953459.db2.gz CTXAXEUZLWIFEC-GFCCVEGCSA-N 2 1 279.384 3.071 20 5 CGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCCCC[NH3+] ZINC000710684281 800038252 /nfs/dbraw/zinc/03/82/52/800038252.db2.gz ZKGXZXSDWQFRAI-ZDUSSCGKSA-N 2 1 279.384 3.107 20 5 CGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCCCC[NH3+] ZINC000710684280 800038732 /nfs/dbraw/zinc/03/87/32/800038732.db2.gz ZKGXZXSDWQFRAI-CYBMUJFWSA-N 2 1 279.384 3.107 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423501477 236088689 /nfs/dbraw/zinc/08/86/89/236088689.db2.gz DQDPJWBYDUZQKF-IUODEOHRSA-N 2 1 291.395 3.071 20 5 CGBDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020090560 368799726 /nfs/dbraw/zinc/79/97/26/368799726.db2.gz HFZNDFFJEATDDF-AWEZNQCLSA-N 2 1 293.411 3.286 20 5 CGBDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266058 296153251 /nfs/dbraw/zinc/15/32/51/296153251.db2.gz RSRPNZBHMRCHRD-WBMJQRKESA-N 2 1 291.395 3.153 20 5 CGBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414819497 380429494 /nfs/dbraw/zinc/42/94/94/380429494.db2.gz YXFGYNZKGWWJFM-DZGCQCFKSA-N 2 1 293.411 3.023 20 5 CGBDMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247255527 393073155 /nfs/dbraw/zinc/07/31/55/393073155.db2.gz YPGYQBHZMGZLFL-DUVNUKRYSA-N 2 1 291.395 3.118 20 5 CGBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCCCC[NH3+] ZINC000873231796 634294591 /nfs/dbraw/zinc/29/45/91/634294591.db2.gz VNHGCTQQWSDLPI-NTMALXAHSA-N 2 1 291.395 3.059 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772500 392320225 /nfs/dbraw/zinc/32/02/25/392320225.db2.gz NFQOKFXLVJVZPG-FPMFFAJLSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772500 392320228 /nfs/dbraw/zinc/32/02/28/392320228.db2.gz NFQOKFXLVJVZPG-FPMFFAJLSA-N 2 1 291.395 3.037 20 5 CGBDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266057 287064603 /nfs/dbraw/zinc/06/46/03/287064603.db2.gz RSRPNZBHMRCHRD-MLGOLLRUSA-N 2 1 291.395 3.153 20 5 CGBDMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423286234 528953212 /nfs/dbraw/zinc/95/32/12/528953212.db2.gz GDVRPSRTBNDNFP-GFCCVEGCSA-N 2 1 279.384 3.071 20 5 CGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414863117 235485075 /nfs/dbraw/zinc/48/50/75/235485075.db2.gz WTYRLYPNAMBRQQ-UHFFFAOYSA-N 2 1 291.395 3.045 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499753 236087153 /nfs/dbraw/zinc/08/71/53/236087153.db2.gz JORXGUZBENBQCW-WFASDCNBSA-N 2 1 291.395 3.071 20 5 CGBDMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349370597 379253926 /nfs/dbraw/zinc/25/39/26/379253926.db2.gz RNEQLFUTMTXYGU-UHFFFAOYSA-N 2 1 293.411 3.067 20 5 CGBDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349370597 379253929 /nfs/dbraw/zinc/25/39/29/379253929.db2.gz RNEQLFUTMTXYGU-UHFFFAOYSA-N 2 1 293.411 3.067 20 5 CGBDMP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423397860 393665890 /nfs/dbraw/zinc/66/58/90/393665890.db2.gz VAIFRMOOTZDNLY-XPKDYRNWSA-N 2 1 291.395 3.166 20 5 CGBDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170596 638648495 /nfs/dbraw/zinc/64/84/95/638648495.db2.gz OWUBCQCZDARMKL-JSGCOSHPSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170596 638648496 /nfs/dbraw/zinc/64/84/96/638648496.db2.gz OWUBCQCZDARMKL-JSGCOSHPSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1ccc([C@@H](C)NCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221915464 376223759 /nfs/dbraw/zinc/22/37/59/376223759.db2.gz KIWWLMXEECVHQX-CQSZACIVSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221915464 376223762 /nfs/dbraw/zinc/22/37/62/376223762.db2.gz KIWWLMXEECVHQX-CQSZACIVSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221915464 376223766 /nfs/dbraw/zinc/22/37/66/376223766.db2.gz KIWWLMXEECVHQX-CQSZACIVSA-N 2 1 293.411 3.284 20 5 CGBDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414819499 380430596 /nfs/dbraw/zinc/43/05/96/380430596.db2.gz YXFGYNZKGWWJFM-HIFRSBDPSA-N 2 1 293.411 3.023 20 5 CGBDMP CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488665 346993189 /nfs/dbraw/zinc/99/31/89/346993189.db2.gz KXFWETPNMLOSTP-ZENOOKHLSA-N 2 1 291.395 3.023 20 5 CGBDMP CC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488665 346993192 /nfs/dbraw/zinc/99/31/92/346993192.db2.gz KXFWETPNMLOSTP-ZENOOKHLSA-N 2 1 291.395 3.023 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000020087897 368799005 /nfs/dbraw/zinc/79/90/05/368799005.db2.gz VWLCJHBXWLITDL-ZDUSSCGKSA-N 2 1 293.411 3.142 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423501479 393671787 /nfs/dbraw/zinc/67/17/87/393671787.db2.gz DQDPJWBYDUZQKF-WFASDCNBSA-N 2 1 291.395 3.071 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725677 288343534 /nfs/dbraw/zinc/34/35/34/288343534.db2.gz MLRJLNHKUQSGNN-RDBSUJKOSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725677 288343536 /nfs/dbraw/zinc/34/35/36/288343536.db2.gz MLRJLNHKUQSGNN-RDBSUJKOSA-N 2 1 291.395 3.037 20 5 CGBDMP CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488659 346993072 /nfs/dbraw/zinc/99/30/72/346993072.db2.gz KXFWETPNMLOSTP-WOSRLPQWSA-N 2 1 291.395 3.023 20 5 CGBDMP CC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488659 346993075 /nfs/dbraw/zinc/99/30/75/346993075.db2.gz KXFWETPNMLOSTP-WOSRLPQWSA-N 2 1 291.395 3.023 20 5 CGBDMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565117 189300872 /nfs/dbraw/zinc/30/08/72/189300872.db2.gz HCCXSHKOSHCTNO-GDBMZVCRSA-N 2 1 291.395 3.120 20 5 CGBDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414799226 380412902 /nfs/dbraw/zinc/41/29/02/380412902.db2.gz GDSMWGUPRKNNPD-UHFFFAOYSA-N 2 1 293.411 3.325 20 5 CGBDMP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263741 393658156 /nfs/dbraw/zinc/65/81/56/393658156.db2.gz OUWQXTUPCOKTSK-HIFRSBDPSA-N 2 1 279.384 3.009 20 5 CGBDMP CC(C)[N@@H+](CCCCCC[NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000846218808 636162527 /nfs/dbraw/zinc/16/25/27/636162527.db2.gz WNGFWPCEZHYZPT-UHFFFAOYSA-N 2 1 293.411 3.324 20 5 CGBDMP C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000710705063 800037939 /nfs/dbraw/zinc/03/79/39/800037939.db2.gz HNBZXPIJCQWFMF-UHFFFAOYSA-N 2 1 299.802 3.199 20 5 CGBDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535820 529668699 /nfs/dbraw/zinc/66/86/99/529668699.db2.gz YMXGPJFVMISOTH-JKSUJKDBSA-N 2 1 291.395 3.153 20 5 CGBDMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593715231 347106543 /nfs/dbraw/zinc/10/65/43/347106543.db2.gz JRDJHWCGFHYTHO-CQSZACIVSA-N 2 1 293.411 3.223 20 5 CGBDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593715231 347106546 /nfs/dbraw/zinc/10/65/46/347106546.db2.gz JRDJHWCGFHYTHO-CQSZACIVSA-N 2 1 293.411 3.223 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423501475 236088676 /nfs/dbraw/zinc/08/86/76/236088676.db2.gz DQDPJWBYDUZQKF-DOMZBBRYSA-N 2 1 291.395 3.071 20 5 CGBDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037117810 369063037 /nfs/dbraw/zinc/06/30/37/369063037.db2.gz IOTIHHADYUXQGS-ZDUSSCGKSA-N 2 1 291.395 3.118 20 5 CGBDMP CCC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553718 369408720 /nfs/dbraw/zinc/40/87/20/369408720.db2.gz IILYKMLIQFPNSO-CJNGLKHVSA-N 2 1 293.411 3.366 20 5 CGBDMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303757 528823309 /nfs/dbraw/zinc/82/33/09/528823309.db2.gz XKSASIWJMYJNKY-BBRMVZONSA-N 2 1 291.395 3.079 20 5 CGBDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000873231350 634292871 /nfs/dbraw/zinc/29/28/71/634292871.db2.gz GVSJJFPTIQQFRK-UHFFFAOYSA-N 2 1 299.802 3.199 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499752 236086901 /nfs/dbraw/zinc/08/69/01/236086901.db2.gz JORXGUZBENBQCW-SWLSCSKDSA-N 2 1 291.395 3.071 20 5 CGBDMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565102 189300904 /nfs/dbraw/zinc/30/09/04/189300904.db2.gz HCCXSHKOSHCTNO-ZBFHGGJFSA-N 2 1 291.395 3.120 20 5 CGBDMP CCC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423397855 283941227 /nfs/dbraw/zinc/94/12/27/283941227.db2.gz VAIFRMOOTZDNLY-INWMFGNUSA-N 2 1 291.395 3.166 20 5 CGBDMP CC[C@@H](NCCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000221919600 376223073 /nfs/dbraw/zinc/22/30/73/376223073.db2.gz JXGJUARURXCILD-MRXNPFEDSA-N 2 1 293.411 3.366 20 5 CGBDMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000221919600 376223082 /nfs/dbraw/zinc/22/30/82/376223082.db2.gz JXGJUARURXCILD-MRXNPFEDSA-N 2 1 293.411 3.366 20 5 CGBDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000221919600 376223084 /nfs/dbraw/zinc/22/30/84/376223084.db2.gz JXGJUARURXCILD-MRXNPFEDSA-N 2 1 293.411 3.366 20 5 CGBDMP CCC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262013 393656879 /nfs/dbraw/zinc/65/68/79/393656879.db2.gz LJUHZCXHGKPUSB-ZBFHGGJFSA-N 2 1 293.411 3.399 20 5 CGBDMP CC(C)c1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000491588335 275740683 /nfs/dbraw/zinc/74/06/83/275740683.db2.gz HLUHKSKDUCBYBB-ZDUSSCGKSA-N 2 1 293.411 3.006 20 5 CGBDMP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263740 529206465 /nfs/dbraw/zinc/20/64/65/529206465.db2.gz OUWQXTUPCOKTSK-DZGCQCFKSA-N 2 1 279.384 3.009 20 5 CGBDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535818 529654088 /nfs/dbraw/zinc/65/40/88/529654088.db2.gz YMXGPJFVMISOTH-HOTGVXAUSA-N 2 1 291.395 3.153 20 5 CGBDMP C[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725816 347214297 /nfs/dbraw/zinc/21/42/97/347214297.db2.gz XTMBMBALHMSCFJ-WFASDCNBSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725816 347214300 /nfs/dbraw/zinc/21/43/00/347214300.db2.gz XTMBMBALHMSCFJ-WFASDCNBSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177077 369074606 /nfs/dbraw/zinc/07/46/06/369074606.db2.gz PJJFMYASOOJUHT-AWEZNQCLSA-N 2 1 291.395 3.121 20 5 CGBDMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423208029 372030591 /nfs/dbraw/zinc/03/05/91/372030591.db2.gz YILLSTDRLJMKRD-CYBMUJFWSA-N 2 1 291.395 3.297 20 5 CGBDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453431385 374475381 /nfs/dbraw/zinc/47/53/81/374475381.db2.gz REWQWJYPNWMMNV-ZDUSSCGKSA-N 2 1 291.395 3.120 20 5 CGBDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131429521 287379459 /nfs/dbraw/zinc/37/94/59/287379459.db2.gz FBYWENGYFJVKGF-AWEZNQCLSA-N 2 1 293.411 3.286 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000132136041 287397774 /nfs/dbraw/zinc/39/77/74/287397774.db2.gz CFCAATKJCGGPIE-CYBMUJFWSA-N 2 1 293.411 3.142 20 5 CGBDMP CC[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925757637 638599342 /nfs/dbraw/zinc/59/93/42/638599342.db2.gz VBSNICALWPMFCW-OAHLLOKOSA-N 2 1 291.395 3.249 20 5 CGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCCCC[NH3+] ZINC000710684295 800039084 /nfs/dbraw/zinc/03/90/84/800039084.db2.gz ZVGGQWRSZKEDIF-CYBMUJFWSA-N 2 1 279.384 3.107 20 5 CGBDMP CCC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553719 369409641 /nfs/dbraw/zinc/40/96/41/369409641.db2.gz IILYKMLIQFPNSO-CZUORRHYSA-N 2 1 293.411 3.366 20 5 CGBDMP CCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424380280 372085582 /nfs/dbraw/zinc/08/55/82/372085582.db2.gz WQXNLUGAYXCMNX-BZUAXINKSA-N 2 1 291.395 3.296 20 5 CGBDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843056499 635553233 /nfs/dbraw/zinc/55/32/33/635553233.db2.gz NUNIZKYWVTYLPI-ZDUSSCGKSA-N 2 1 299.802 3.053 20 5 CGBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843056499 635553240 /nfs/dbraw/zinc/55/32/40/635553240.db2.gz NUNIZKYWVTYLPI-ZDUSSCGKSA-N 2 1 299.802 3.053 20 5 CGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCCCC[NH3+] ZINC000710684296 800038966 /nfs/dbraw/zinc/03/89/66/800038966.db2.gz ZVGGQWRSZKEDIF-ZDUSSCGKSA-N 2 1 279.384 3.107 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420312109 292295837 /nfs/dbraw/zinc/29/58/37/292295837.db2.gz OIDABRNKUBBDAC-KBPBESRZSA-N 2 1 291.395 3.025 20 5 CGBDMP CCC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262012 528240680 /nfs/dbraw/zinc/24/06/80/528240680.db2.gz LJUHZCXHGKPUSB-HOCLYGCPSA-N 2 1 293.411 3.399 20 5 CGBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303759 528955553 /nfs/dbraw/zinc/95/55/53/528955553.db2.gz XKSASIWJMYJNKY-CZUORRHYSA-N 2 1 291.395 3.079 20 5 CGBDMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293778 528957900 /nfs/dbraw/zinc/95/79/00/528957900.db2.gz ASKGTGOWHBILOB-UKRRQHHQSA-N 2 1 279.384 3.153 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161110842 397658570 /nfs/dbraw/zinc/65/85/70/397658570.db2.gz YPGYQBHZMGZLFL-BJJXKVORSA-N 2 1 291.395 3.118 20 5 CGBDMP CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037267003 173077522 /nfs/dbraw/zinc/07/75/22/173077522.db2.gz ISDBGMYMUCLACX-MRXNPFEDSA-N 2 1 291.395 3.120 20 5 CGBDMP CC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000423288067 529156165 /nfs/dbraw/zinc/15/61/65/529156165.db2.gz QIKZZZYYJMBNTG-CQSZACIVSA-N 2 1 279.384 3.153 20 5 CGBDMP CC(C)[NH2+]CCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001575731150 962409010 /nfs/dbraw/zinc/40/90/10/962409010.db2.gz UGMYOQLFKJEIFN-UHFFFAOYSA-N 2 1 293.411 3.196 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000531689076 270208728 /nfs/dbraw/zinc/20/87/28/270208728.db2.gz NEEWARZCBLDFMR-AWEZNQCLSA-N 2 1 291.395 3.040 20 5 CGBDMP CCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263952 528223825 /nfs/dbraw/zinc/22/38/25/528223825.db2.gz BOVRCPBLDUCLOJ-GJZGRUSLSA-N 2 1 279.384 3.009 20 5 CGBDMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423185005 529157538 /nfs/dbraw/zinc/15/75/38/529157538.db2.gz UKUQZERRAURAPQ-OAHLLOKOSA-N 2 1 291.395 3.297 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000902372335 621276837 /nfs/dbraw/zinc/27/68/37/621276837.db2.gz XDNVEPRZUVJVIX-QWHCGFSZSA-N 2 1 291.395 3.024 20 5 CGBDMP CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488658 346992985 /nfs/dbraw/zinc/99/29/85/346992985.db2.gz KXFWETPNMLOSTP-IOASZLSFSA-N 2 1 291.395 3.023 20 5 CGBDMP CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488658 346992987 /nfs/dbraw/zinc/99/29/87/346992987.db2.gz KXFWETPNMLOSTP-IOASZLSFSA-N 2 1 291.395 3.023 20 5 CGBDMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593181787 347048750 /nfs/dbraw/zinc/04/87/50/347048750.db2.gz IERQFMYQZFHNCW-AWEZNQCLSA-N 2 1 293.411 3.223 20 5 CGBDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593181787 347048756 /nfs/dbraw/zinc/04/87/56/347048756.db2.gz IERQFMYQZFHNCW-AWEZNQCLSA-N 2 1 293.411 3.223 20 5 CGBDMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726164 191292838 /nfs/dbraw/zinc/29/28/38/191292838.db2.gz YTIHPTXLKGINAG-DZGCQCFKSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726164 191292840 /nfs/dbraw/zinc/29/28/40/191292840.db2.gz YTIHPTXLKGINAG-DZGCQCFKSA-N 2 1 291.395 3.120 20 5 CGBDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020090562 368798843 /nfs/dbraw/zinc/79/88/43/368798843.db2.gz HFZNDFFJEATDDF-CQSZACIVSA-N 2 1 293.411 3.286 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420285548 393450224 /nfs/dbraw/zinc/45/02/24/393450224.db2.gz FBPVKKLLKLZDRL-CZUORRHYSA-N 2 1 293.411 3.269 20 5 CGBDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303761 528821785 /nfs/dbraw/zinc/82/17/85/528821785.db2.gz XKSASIWJMYJNKY-XJKSGUPXSA-N 2 1 291.395 3.079 20 5 CGBDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000710704965 800038999 /nfs/dbraw/zinc/03/89/99/800038999.db2.gz FUMUEHBBVYKXIQ-UHFFFAOYSA-N 2 1 299.802 3.199 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000181844339 189308032 /nfs/dbraw/zinc/30/80/32/189308032.db2.gz PAWVDTJPXDPUGX-ZFWWWQNUSA-N 2 1 291.395 3.038 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000181844339 189308033 /nfs/dbraw/zinc/30/80/33/189308033.db2.gz PAWVDTJPXDPUGX-ZFWWWQNUSA-N 2 1 291.395 3.038 20 5 CGBDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000160998517 372294529 /nfs/dbraw/zinc/29/45/29/372294529.db2.gz YKVOHTAXEBUCJL-YUELXQCFSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224113966 376271428 /nfs/dbraw/zinc/27/14/28/376271428.db2.gz PXIVNDMNFXNQQC-BJJXKVORSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224113966 376271435 /nfs/dbraw/zinc/27/14/35/376271435.db2.gz PXIVNDMNFXNQQC-BJJXKVORSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772502 392320153 /nfs/dbraw/zinc/32/01/53/392320153.db2.gz NFQOKFXLVJVZPG-UBHSHLNASA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772502 392320154 /nfs/dbraw/zinc/32/01/54/392320154.db2.gz NFQOKFXLVJVZPG-UBHSHLNASA-N 2 1 291.395 3.037 20 5 CGBDMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020128893 296122801 /nfs/dbraw/zinc/12/28/01/296122801.db2.gz XSIYLDCTDIONSJ-CQSZACIVSA-N 2 1 291.395 3.121 20 5 CGBDMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000423188402 372015150 /nfs/dbraw/zinc/01/51/50/372015150.db2.gz YYFKTAADHRQRMP-ZDUSSCGKSA-N 2 1 291.395 3.215 20 5 CGBDMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000159292523 372127189 /nfs/dbraw/zinc/12/71/89/372127189.db2.gz MCCGAJFIHNHAGM-CYBMUJFWSA-N 2 1 291.395 3.038 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000020129208 171016869 /nfs/dbraw/zinc/01/68/69/171016869.db2.gz WGMGPEQRRXFLPM-AWEZNQCLSA-N 2 1 291.395 3.040 20 5 CGBDMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000423188401 372014639 /nfs/dbraw/zinc/01/46/39/372014639.db2.gz YYFKTAADHRQRMP-CYBMUJFWSA-N 2 1 291.395 3.215 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954739 347700772 /nfs/dbraw/zinc/70/07/72/347700772.db2.gz GHHBSMFBMCMNDS-GXTWGEPZSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954739 347700774 /nfs/dbraw/zinc/70/07/74/347700774.db2.gz GHHBSMFBMCMNDS-GXTWGEPZSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000181565066 189301152 /nfs/dbraw/zinc/30/11/52/189301152.db2.gz HCCXSHKOSHCTNO-HOCLYGCPSA-N 2 1 291.395 3.120 20 5 CGBDMP CC(C)c1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000346692778 378677183 /nfs/dbraw/zinc/67/71/83/378677183.db2.gz IVSFJSHBHJPAOE-UHFFFAOYSA-N 2 1 293.411 3.135 20 5 CGBDMP CC(C)c1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000346692778 378677188 /nfs/dbraw/zinc/67/71/88/378677188.db2.gz IVSFJSHBHJPAOE-UHFFFAOYSA-N 2 1 293.411 3.135 20 5 CGBDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576619 392548300 /nfs/dbraw/zinc/54/83/00/392548300.db2.gz PXIVNDMNFXNQQC-XPKDYRNWSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576619 392548305 /nfs/dbraw/zinc/54/83/05/392548305.db2.gz PXIVNDMNFXNQQC-XPKDYRNWSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266056 393657145 /nfs/dbraw/zinc/65/71/45/393657145.db2.gz RSRPNZBHMRCHRD-LRDDRELGSA-N 2 1 291.395 3.153 20 5 CGBDMP CCC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596649379 347497807 /nfs/dbraw/zinc/49/78/07/347497807.db2.gz ZMPZVGQYROUEFH-OAHLLOKOSA-N 2 1 291.395 3.297 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564659 188269219 /nfs/dbraw/zinc/26/92/19/188269219.db2.gz UMUXGTWZPATWJF-NFAWXSAZSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564659 188269220 /nfs/dbraw/zinc/26/92/20/188269220.db2.gz UMUXGTWZPATWJF-NFAWXSAZSA-N 2 1 291.395 3.037 20 5 CGBDMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726172 191293575 /nfs/dbraw/zinc/29/35/75/191293575.db2.gz YTIHPTXLKGINAG-UKRRQHHQSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726172 191293578 /nfs/dbraw/zinc/29/35/78/191293578.db2.gz YTIHPTXLKGINAG-UKRRQHHQSA-N 2 1 291.395 3.120 20 5 CGBDMP CCC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553716 369409001 /nfs/dbraw/zinc/40/90/01/369409001.db2.gz IILYKMLIQFPNSO-BBRMVZONSA-N 2 1 293.411 3.366 20 5 CGBDMP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000925759358 638600855 /nfs/dbraw/zinc/60/08/55/638600855.db2.gz MVYDQUASZGSLMM-ZDUSSCGKSA-N 2 1 291.395 3.168 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247252851 377185321 /nfs/dbraw/zinc/18/53/21/377185321.db2.gz YKVOHTAXEBUCJL-NWANDNLSSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423501478 393672212 /nfs/dbraw/zinc/67/22/12/393672212.db2.gz DQDPJWBYDUZQKF-SWLSCSKDSA-N 2 1 291.395 3.071 20 5 CGBDMP C[N@H+](CC[NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001204699607 812711582 /nfs/dbraw/zinc/71/15/82/812711582.db2.gz OYVKTMOEHROLQK-UHFFFAOYSA-N 2 1 264.372 3.384 20 5 CGBDMP C[N@@H+](CC[NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001204699607 812711586 /nfs/dbraw/zinc/71/15/86/812711586.db2.gz OYVKTMOEHROLQK-UHFFFAOYSA-N 2 1 264.372 3.384 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000020087895 368799677 /nfs/dbraw/zinc/79/96/77/368799677.db2.gz VWLCJHBXWLITDL-CYBMUJFWSA-N 2 1 293.411 3.142 20 5 CGBDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037177141 369074433 /nfs/dbraw/zinc/07/44/33/369074433.db2.gz DHVMBHWQAALGJI-ZDUSSCGKSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000160998389 372293960 /nfs/dbraw/zinc/29/39/60/372293960.db2.gz YKVOHTAXEBUCJL-CFVMTHIKSA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109652 376271671 /nfs/dbraw/zinc/27/16/71/376271671.db2.gz UMUXGTWZPATWJF-KCQAQPDRSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109652 376271678 /nfs/dbraw/zinc/27/16/78/376271678.db2.gz UMUXGTWZPATWJF-KCQAQPDRSA-N 2 1 291.395 3.037 20 5 CGBDMP C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181369 639289674 /nfs/dbraw/zinc/28/96/74/639289674.db2.gz PSCSOWQCUYQCFK-HIFRSBDPSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000932181369 639289682 /nfs/dbraw/zinc/28/96/82/639289682.db2.gz PSCSOWQCUYQCFK-HIFRSBDPSA-N 2 1 291.395 3.120 20 5 CGBDMP CCC([NH3+])(CC)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423290401 528954913 /nfs/dbraw/zinc/95/49/13/528954913.db2.gz ZZRKCZBVIYUPRJ-HNNXBMFYSA-N 2 1 291.395 3.079 20 5 CGBDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293779 528821619 /nfs/dbraw/zinc/82/16/19/528821619.db2.gz ASKGTGOWHBILOB-ZFWWWQNUSA-N 2 1 279.384 3.153 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109758 376272611 /nfs/dbraw/zinc/27/26/11/376272611.db2.gz UMUXGTWZPATWJF-YDHLFZDLSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109758 376272615 /nfs/dbraw/zinc/27/26/15/376272615.db2.gz UMUXGTWZPATWJF-YDHLFZDLSA-N 2 1 291.395 3.037 20 5 CGBDMP C[N@@H+]1CCc2c(NC(=[NH2+])C(C)(C)C)ccc([N+](=O)[O-])c2C1 ZINC001162666001 806645200 /nfs/dbraw/zinc/64/52/00/806645200.db2.gz VHBZKTNRIZICAX-UHFFFAOYSA-N 2 1 290.367 3.018 20 5 CGBDMP C[N@H+]1CCc2c(NC(=[NH2+])C(C)(C)C)ccc([N+](=O)[O-])c2C1 ZINC001162666001 806645204 /nfs/dbraw/zinc/64/52/04/806645204.db2.gz VHBZKTNRIZICAX-UHFFFAOYSA-N 2 1 290.367 3.018 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000181844357 189308350 /nfs/dbraw/zinc/30/83/50/189308350.db2.gz PAWVDTJPXDPUGX-UKRRQHHQSA-N 2 1 291.395 3.038 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000181844357 189308351 /nfs/dbraw/zinc/30/83/51/189308351.db2.gz PAWVDTJPXDPUGX-UKRRQHHQSA-N 2 1 291.395 3.038 20 5 CGBDMP CC[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925757636 638599956 /nfs/dbraw/zinc/59/99/56/638599956.db2.gz VBSNICALWPMFCW-HNNXBMFYSA-N 2 1 291.395 3.249 20 5 CGBDMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]21 ZINC001235210632 819037247 /nfs/dbraw/zinc/03/72/47/819037247.db2.gz PGYDNLREUKZDTR-PMOLBWCYSA-N 2 1 288.394 3.382 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564426 188269016 /nfs/dbraw/zinc/26/90/16/188269016.db2.gz UMUXGTWZPATWJF-UMVBOHGHSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564426 188269018 /nfs/dbraw/zinc/26/90/18/188269018.db2.gz UMUXGTWZPATWJF-UMVBOHGHSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000423182589 372010511 /nfs/dbraw/zinc/01/05/11/372010511.db2.gz QLPKOMNIVNRUMY-ZDUSSCGKSA-N 2 1 291.395 3.215 20 5 CGBDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258352 393656279 /nfs/dbraw/zinc/65/62/79/393656279.db2.gz BKCZMVWHRWNOPV-LRDDRELGSA-N 2 1 291.395 3.153 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725676 288343600 /nfs/dbraw/zinc/34/36/00/288343600.db2.gz MLRJLNHKUQSGNN-MELADBBJSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725676 288343601 /nfs/dbraw/zinc/34/36/01/288343601.db2.gz MLRJLNHKUQSGNN-MELADBBJSA-N 2 1 291.395 3.037 20 5 CGBDMP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423264153 529009997 /nfs/dbraw/zinc/00/99/97/529009997.db2.gz BOVRCPBLDUCLOJ-HUUCEWRRSA-N 2 1 279.384 3.009 20 5 CGBDMP CC[N+](C)(C)Cc1ccccc1NCc1ccc(N)[nH+]c1C ZINC001167786537 807251791 /nfs/dbraw/zinc/25/17/91/807251791.db2.gz ULJUQSLKDVVFPC-UHFFFAOYSA-N 2 1 299.442 3.181 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564773 188269386 /nfs/dbraw/zinc/26/93/86/188269386.db2.gz UMUXGTWZPATWJF-IPYPFGDCSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564773 188269387 /nfs/dbraw/zinc/26/93/87/188269387.db2.gz UMUXGTWZPATWJF-IPYPFGDCSA-N 2 1 291.395 3.037 20 5 CGBDMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177078 173011039 /nfs/dbraw/zinc/01/10/39/173011039.db2.gz PJJFMYASOOJUHT-CQSZACIVSA-N 2 1 291.395 3.121 20 5 CGBDMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000925756596 638599223 /nfs/dbraw/zinc/59/92/23/638599223.db2.gz MLLVBCLYVCBLLQ-ZDUSSCGKSA-N 2 1 291.395 3.168 20 5 CGBDMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178413033 189114487 /nfs/dbraw/zinc/11/44/87/189114487.db2.gz GZOOFHOSIIVQSE-AWEZNQCLSA-N 2 1 291.395 3.040 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772501 392320557 /nfs/dbraw/zinc/32/05/57/392320557.db2.gz NFQOKFXLVJVZPG-KWCYVHTRSA-N 2 1 291.395 3.037 20 5 CGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772501 392320560 /nfs/dbraw/zinc/32/05/60/392320560.db2.gz NFQOKFXLVJVZPG-KWCYVHTRSA-N 2 1 291.395 3.037 20 5 CGBDMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423185004 393653837 /nfs/dbraw/zinc/65/38/37/393653837.db2.gz UKUQZERRAURAPQ-HNNXBMFYSA-N 2 1 291.395 3.297 20 5 CGBDMP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263742 393657301 /nfs/dbraw/zinc/65/73/01/393657301.db2.gz OUWQXTUPCOKTSK-UKRRQHHQSA-N 2 1 279.384 3.009 20 5 CGBDMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020190162 171056401 /nfs/dbraw/zinc/05/64/01/171056401.db2.gz BBCRLGQDOSMLFS-CYBMUJFWSA-N 2 1 291.395 3.120 20 5 CGBDMP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566088412 322103534 /nfs/dbraw/zinc/10/35/34/322103534.db2.gz MATJWARZIRBJRT-HNNXBMFYSA-N 2 1 279.384 3.024 20 5 CGBDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224114073 376272681 /nfs/dbraw/zinc/27/26/81/376272681.db2.gz PXIVNDMNFXNQQC-NOLJZWGESA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224114073 376272685 /nfs/dbraw/zinc/27/26/85/376272685.db2.gz PXIVNDMNFXNQQC-NOLJZWGESA-N 2 1 291.395 3.118 20 5 CGBDMP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000268775388 378107576 /nfs/dbraw/zinc/10/75/76/378107576.db2.gz RMJDOLFERWOPEY-AWEZNQCLSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000268775388 378107579 /nfs/dbraw/zinc/10/75/79/378107579.db2.gz RMJDOLFERWOPEY-AWEZNQCLSA-N 2 1 293.411 3.284 20 5 CGBDMP CCC[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596649378 347497629 /nfs/dbraw/zinc/49/76/29/347497629.db2.gz ZMPZVGQYROUEFH-HNNXBMFYSA-N 2 1 291.395 3.297 20 5 CGBDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414819503 380430379 /nfs/dbraw/zinc/43/03/79/380430379.db2.gz YXFGYNZKGWWJFM-ZFWWWQNUSA-N 2 1 293.411 3.023 20 5 CGBDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020190159 171056387 /nfs/dbraw/zinc/05/63/87/171056387.db2.gz BBCRLGQDOSMLFS-ZDUSSCGKSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453438134 394245575 /nfs/dbraw/zinc/24/55/75/394245575.db2.gz VOTARLSNIYQNTP-ZDUSSCGKSA-N 2 1 291.395 3.120 20 5 CGBDMP CCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263951 528222120 /nfs/dbraw/zinc/22/21/20/528222120.db2.gz BOVRCPBLDUCLOJ-CABCVRRESA-N 2 1 279.384 3.009 20 5 CGBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293777 528955629 /nfs/dbraw/zinc/95/56/29/528955629.db2.gz ASKGTGOWHBILOB-HIFRSBDPSA-N 2 1 279.384 3.153 20 5 CGBDMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000846221402 636162992 /nfs/dbraw/zinc/16/29/92/636162992.db2.gz YVTJZOAHAFXPKY-UHFFFAOYSA-N 2 1 291.395 3.078 20 5 CGBDMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001461834616 937600254 /nfs/dbraw/zinc/60/02/54/937600254.db2.gz VMIYOYVOEJBQQW-CYBMUJFWSA-N 2 1 293.411 3.113 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420287338 292295870 /nfs/dbraw/zinc/29/58/70/292295870.db2.gz HVRYNDIMDZHJGK-IHRRRGAJSA-N 2 1 291.395 3.023 20 5 CGBDMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000902372336 621277112 /nfs/dbraw/zinc/27/71/12/621277112.db2.gz XDNVEPRZUVJVIX-STQMWFEESA-N 2 1 291.395 3.024 20 5 CGBDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258351 372043649 /nfs/dbraw/zinc/04/36/49/372043649.db2.gz BKCZMVWHRWNOPV-BLLLJJGKSA-N 2 1 291.395 3.153 20 5 CGBDMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000268775391 378108213 /nfs/dbraw/zinc/10/82/13/378108213.db2.gz RMJDOLFERWOPEY-CQSZACIVSA-N 2 1 293.411 3.284 20 5 CGBDMP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000268775391 378108220 /nfs/dbraw/zinc/10/82/20/378108220.db2.gz RMJDOLFERWOPEY-CQSZACIVSA-N 2 1 293.411 3.284 20 5 CGBDMP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423397853 393665445 /nfs/dbraw/zinc/66/54/45/393665445.db2.gz VAIFRMOOTZDNLY-BJJXKVORSA-N 2 1 291.395 3.166 20 5 CGBDMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423282585 528950887 /nfs/dbraw/zinc/95/08/87/528950887.db2.gz CTXAXEUZLWIFEC-LBPRGKRZSA-N 2 1 279.384 3.071 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155156 634066397 /nfs/dbraw/zinc/06/63/97/634066397.db2.gz DWDNDWPXWFINRP-AWEZNQCLSA-N 2 1 293.411 3.415 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420287341 393450044 /nfs/dbraw/zinc/45/00/44/393450044.db2.gz HVRYNDIMDZHJGK-RDBSUJKOSA-N 2 1 291.395 3.023 20 5 CGBDMP CCC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037267002 173078045 /nfs/dbraw/zinc/07/80/45/173078045.db2.gz ISDBGMYMUCLACX-INIZCTEOSA-N 2 1 291.395 3.120 20 5 CGBDMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156577017 280197768 /nfs/dbraw/zinc/19/77/68/280197768.db2.gz PXIVNDMNFXNQQC-IVMMDQJWSA-N 2 1 291.395 3.118 20 5 CGBDMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156577017 280197770 /nfs/dbraw/zinc/19/77/70/280197770.db2.gz PXIVNDMNFXNQQC-IVMMDQJWSA-N 2 1 291.395 3.118 20 5 CGBDMP CC(C)c1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000491588334 375333722 /nfs/dbraw/zinc/33/37/22/375333722.db2.gz HLUHKSKDUCBYBB-CYBMUJFWSA-N 2 1 293.411 3.006 20 5 CGBDMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349374041 379255674 /nfs/dbraw/zinc/25/56/74/379255674.db2.gz XXAGGTFXYHXFCT-UHFFFAOYSA-N 2 1 293.411 3.067 20 5 CGBDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349374041 379255682 /nfs/dbraw/zinc/25/56/82/379255682.db2.gz XXAGGTFXYHXFCT-UHFFFAOYSA-N 2 1 293.411 3.067 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420285549 393450604 /nfs/dbraw/zinc/45/06/04/393450604.db2.gz FBPVKKLLKLZDRL-XJKSGUPXSA-N 2 1 293.411 3.269 20 5 CGBDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000020129207 171017607 /nfs/dbraw/zinc/01/76/07/171017607.db2.gz WGMGPEQRRXFLPM-CQSZACIVSA-N 2 1 291.395 3.040 20 5 CGBDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131429750 287379708 /nfs/dbraw/zinc/37/97/08/287379708.db2.gz FBYWENGYFJVKGF-CQSZACIVSA-N 2 1 293.411 3.286 20 5 CGBDMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423286235 528950278 /nfs/dbraw/zinc/95/02/78/528950278.db2.gz GDVRPSRTBNDNFP-LBPRGKRZSA-N 2 1 279.384 3.071 20 5 CGBDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131430183 371108125 /nfs/dbraw/zinc/10/81/25/371108125.db2.gz AMIOGZXNAMLRDP-AWEZNQCLSA-N 2 1 293.411 3.286 20 5 CGBDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303758 372049884 /nfs/dbraw/zinc/04/98/84/372049884.db2.gz XKSASIWJMYJNKY-CJNGLKHVSA-N 2 1 291.395 3.079 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000872155157 634065593 /nfs/dbraw/zinc/06/55/93/634065593.db2.gz DWDNDWPXWFINRP-CQSZACIVSA-N 2 1 293.411 3.415 20 5 CGBDMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423208030 372030397 /nfs/dbraw/zinc/03/03/97/372030397.db2.gz YILLSTDRLJMKRD-ZDUSSCGKSA-N 2 1 291.395 3.297 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420285546 393449887 /nfs/dbraw/zinc/44/98/87/393449887.db2.gz FBPVKKLLKLZDRL-CJNGLKHVSA-N 2 1 293.411 3.269 20 5 CGBDMP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566088413 322103879 /nfs/dbraw/zinc/10/38/79/322103879.db2.gz MATJWARZIRBJRT-OAHLLOKOSA-N 2 1 279.384 3.024 20 5 CGBDMP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010405 369050323 /nfs/dbraw/zinc/05/03/23/369050323.db2.gz QRNOCKIKADUDCH-HNNXBMFYSA-N 2 1 293.411 3.223 20 5 CGBDMP C[N@@H+](CCCCCC[NH3+])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846218098 636161176 /nfs/dbraw/zinc/16/11/76/636161176.db2.gz SHPXAXPOKIUKLB-UHFFFAOYSA-N 2 1 299.802 3.199 20 5 CGBDMP CCC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553717 369409631 /nfs/dbraw/zinc/40/96/31/369409631.db2.gz IILYKMLIQFPNSO-XJKSGUPXSA-N 2 1 293.411 3.366 20 5 CGBDMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296751564 373236005 /nfs/dbraw/zinc/23/60/05/373236005.db2.gz PSCSOWQCUYQCFK-DZGCQCFKSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296751564 373236011 /nfs/dbraw/zinc/23/60/11/373236011.db2.gz PSCSOWQCUYQCFK-DZGCQCFKSA-N 2 1 291.395 3.120 20 5 CGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420312118 393461285 /nfs/dbraw/zinc/46/12/85/393461285.db2.gz OIDABRNKUBBDAC-ZIAGYGMSSA-N 2 1 291.395 3.025 20 5 CGBDMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000038098036 174112791 /nfs/dbraw/zinc/11/27/91/174112791.db2.gz LCEISFPZKNEJNG-MRXNPFEDSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170595 638648684 /nfs/dbraw/zinc/64/86/84/638648684.db2.gz OWUBCQCZDARMKL-GXTWGEPZSA-N 2 1 291.395 3.118 20 5 CGBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170595 638648696 /nfs/dbraw/zinc/64/86/96/638648696.db2.gz OWUBCQCZDARMKL-GXTWGEPZSA-N 2 1 291.395 3.118 20 5 CGBDMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037177142 369074069 /nfs/dbraw/zinc/07/40/69/369074069.db2.gz DHVMBHWQAALGJI-CYBMUJFWSA-N 2 1 291.395 3.120 20 5 CGBDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258381 296153152 /nfs/dbraw/zinc/15/31/52/296153152.db2.gz BKCZMVWHRWNOPV-WBMJQRKESA-N 2 1 291.395 3.153 20 5 CGBDMP CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424380282 393683064 /nfs/dbraw/zinc/68/30/64/393683064.db2.gz WQXNLUGAYXCMNX-OWCLPIDISA-N 2 1 291.395 3.296 20 5 CGBDMP