smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001206188220 1091526046 /nfs/dbraw/zinc/52/60/46/1091526046.db2.gz UUQGDYPODMOERF-IRXDYDNUSA-N 2 1 324.403 3.044 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001173230344 1097376390 /nfs/dbraw/zinc/37/63/90/1097376390.db2.gz DXEAJMLPKBBYKK-CYBMUJFWSA-N 2 1 314.389 3.062 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246604230 1104620171 /nfs/dbraw/zinc/62/01/71/1104620171.db2.gz HEMIFNNKUBMUFM-CRAIPNDOSA-N 2 1 317.433 3.134 20 5 DGBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547478 1106100828 /nfs/dbraw/zinc/10/08/28/1106100828.db2.gz ISKBUGNCWMXLMI-HOCLYGCPSA-N 2 1 319.449 3.378 20 5 DGBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547478 1106100831 /nfs/dbraw/zinc/10/08/31/1106100831.db2.gz ISKBUGNCWMXLMI-HOCLYGCPSA-N 2 1 319.449 3.378 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001308570250 1111445885 /nfs/dbraw/zinc/44/58/85/1111445885.db2.gz KTWJHLWILSYZFU-MAUKXSAKSA-N 2 1 317.433 3.128 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001308570252 1111445899 /nfs/dbraw/zinc/44/58/99/1111445899.db2.gz KTWJHLWILSYZFU-YJBOKZPZSA-N 2 1 317.433 3.128 20 5 DGBDMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000237731206 202340996 /nfs/dbraw/zinc/34/09/96/202340996.db2.gz KOFWSOQOVOTXCC-UHFFFAOYSA-N 2 1 305.422 3.256 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134907882 432088930 /nfs/dbraw/zinc/08/89/30/432088930.db2.gz YLBOBKAPQKBYFE-CRAIPNDOSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134907882 432088932 /nfs/dbraw/zinc/08/89/32/432088932.db2.gz YLBOBKAPQKBYFE-CRAIPNDOSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134907882 432088934 /nfs/dbraw/zinc/08/89/34/432088934.db2.gz YLBOBKAPQKBYFE-CRAIPNDOSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134907882 432088936 /nfs/dbraw/zinc/08/89/36/432088936.db2.gz YLBOBKAPQKBYFE-CRAIPNDOSA-N 2 1 315.417 3.044 20 5 DGBDMP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078059 240006943 /nfs/dbraw/zinc/00/69/43/240006943.db2.gz UAYIHTJJZUOTTE-MAUKXSAKSA-N 2 1 319.449 3.236 20 5 DGBDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543775 241165380 /nfs/dbraw/zinc/16/53/80/241165380.db2.gz CRQLBOKWMBNBTN-SJORKVTESA-N 2 1 317.433 3.259 20 5 DGBDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543775 241165384 /nfs/dbraw/zinc/16/53/84/241165384.db2.gz CRQLBOKWMBNBTN-SJORKVTESA-N 2 1 317.433 3.259 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468621823 244056749 /nfs/dbraw/zinc/05/67/49/244056749.db2.gz ZCCAKTPYIUHCFN-XBNGYDHASA-N 2 1 317.433 3.320 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468621817 244057208 /nfs/dbraw/zinc/05/72/08/244057208.db2.gz ZCCAKTPYIUHCFN-IUYQLWOBSA-N 2 1 317.433 3.320 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000246846484 284925073 /nfs/dbraw/zinc/92/50/73/284925073.db2.gz BWBPSHVECWOKHP-NUEKZKHPSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344349 253269485 /nfs/dbraw/zinc/26/94/85/253269485.db2.gz BWAISHOKLYXUIH-UHFFFAOYSA-N 2 1 316.405 3.054 20 5 DGBDMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344349 253269487 /nfs/dbraw/zinc/26/94/87/253269487.db2.gz BWAISHOKLYXUIH-UHFFFAOYSA-N 2 1 316.405 3.054 20 5 DGBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000595052968 400091671 /nfs/dbraw/zinc/09/16/71/400091671.db2.gz UOYNQVWTRPXLSA-CYBMUJFWSA-N 2 1 321.421 3.128 20 5 DGBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000589188961 400272247 /nfs/dbraw/zinc/27/22/47/400272247.db2.gz WQUXMLLCQLVBFC-PAYVPJBWSA-N 2 1 315.417 3.165 20 5 DGBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000589188961 400272250 /nfs/dbraw/zinc/27/22/50/400272250.db2.gz WQUXMLLCQLVBFC-PAYVPJBWSA-N 2 1 315.417 3.165 20 5 DGBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000589188961 400272252 /nfs/dbraw/zinc/27/22/52/400272252.db2.gz WQUXMLLCQLVBFC-PAYVPJBWSA-N 2 1 315.417 3.165 20 5 DGBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000589188961 400272255 /nfs/dbraw/zinc/27/22/55/400272255.db2.gz WQUXMLLCQLVBFC-PAYVPJBWSA-N 2 1 315.417 3.165 20 5 DGBDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596059562 400306302 /nfs/dbraw/zinc/30/63/02/400306302.db2.gz QIJNUHWIHWFRRD-KRWDZBQOSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596059562 400306308 /nfs/dbraw/zinc/30/63/08/400306308.db2.gz QIJNUHWIHWFRRD-KRWDZBQOSA-N 2 1 317.433 3.115 20 5 DGBDMP C[N@@H+](CCCCNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599087571 400956785 /nfs/dbraw/zinc/95/67/85/400956785.db2.gz KUWLLEFQXDYFLU-UHFFFAOYSA-N 2 1 314.389 3.429 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245531127 165462936 /nfs/dbraw/zinc/46/29/36/165462936.db2.gz SZFOKUSJQROTGM-CVEARBPZSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245531127 165462942 /nfs/dbraw/zinc/46/29/42/165462942.db2.gz SZFOKUSJQROTGM-CVEARBPZSA-N 2 1 317.433 3.382 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246866388 432174633 /nfs/dbraw/zinc/17/46/33/432174633.db2.gz CICTXUUEQORAOA-CABCVRRESA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246866388 432174636 /nfs/dbraw/zinc/17/46/36/432174636.db2.gz CICTXUUEQORAOA-CABCVRRESA-N 2 1 305.422 3.366 20 5 DGBDMP O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247031739 432193765 /nfs/dbraw/zinc/19/37/65/432193765.db2.gz YLBOBKAPQKBYFE-YJBOKZPZSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247031739 432193769 /nfs/dbraw/zinc/19/37/69/432193769.db2.gz YLBOBKAPQKBYFE-YJBOKZPZSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247031739 432193772 /nfs/dbraw/zinc/19/37/72/432193772.db2.gz YLBOBKAPQKBYFE-YJBOKZPZSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247031739 432193780 /nfs/dbraw/zinc/19/37/80/432193780.db2.gz YLBOBKAPQKBYFE-YJBOKZPZSA-N 2 1 315.417 3.044 20 5 DGBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346693037 264080846 /nfs/dbraw/zinc/08/08/46/264080846.db2.gz KMGIFNUEYPWQTO-STQMWFEESA-N 2 1 315.373 3.024 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346827197 264104317 /nfs/dbraw/zinc/10/43/17/264104317.db2.gz HTRVSFTWZIJDKO-BHYGNILZSA-N 2 1 317.433 3.277 20 5 DGBDMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588712 273635678 /nfs/dbraw/zinc/63/56/78/273635678.db2.gz BFBPFDQUORKZJZ-QGZVFWFLSA-N 2 1 305.422 3.294 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332037796 274392886 /nfs/dbraw/zinc/39/28/86/274392886.db2.gz XHIDZMGARXBPBR-IIYDPXPESA-N 2 1 317.433 3.390 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332037796 274392888 /nfs/dbraw/zinc/39/28/88/274392888.db2.gz XHIDZMGARXBPBR-IIYDPXPESA-N 2 1 317.433 3.390 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000447546467 274394337 /nfs/dbraw/zinc/39/43/37/274394337.db2.gz WBZVJYBEEINEKY-IFIJOSMWSA-N 2 1 303.406 3.045 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000447546467 274394338 /nfs/dbraw/zinc/39/43/38/274394338.db2.gz WBZVJYBEEINEKY-IFIJOSMWSA-N 2 1 303.406 3.045 20 5 DGBDMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278952523 288046269 /nfs/dbraw/zinc/04/62/69/288046269.db2.gz LLYMVXMUWTYHBW-BBRMVZONSA-N 2 1 314.389 3.095 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000449092104 279382751 /nfs/dbraw/zinc/38/27/51/279382751.db2.gz LHRHKMZQOYWXDI-BZUAXINKSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000449092104 279382754 /nfs/dbraw/zinc/38/27/54/279382754.db2.gz LHRHKMZQOYWXDI-BZUAXINKSA-N 2 1 319.449 3.236 20 5 DGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000191479716 432269299 /nfs/dbraw/zinc/26/92/99/432269299.db2.gz KHQSMEGDKJCBKP-UHFFFAOYSA-N 2 1 316.405 3.266 20 5 DGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000191479716 432269303 /nfs/dbraw/zinc/26/93/03/432269303.db2.gz KHQSMEGDKJCBKP-UHFFFAOYSA-N 2 1 316.405 3.266 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152427074 432332868 /nfs/dbraw/zinc/33/28/68/432332868.db2.gz SQRNRFVDWRUYIO-ZIAGYGMSSA-N 2 1 303.406 3.038 20 5 DGBDMP C[N@H+]1CCC[C@@H]1CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396667 432496823 /nfs/dbraw/zinc/49/68/23/432496823.db2.gz MGAFNJJNGIROOX-OAHLLOKOSA-N 2 1 303.406 3.044 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680310 432924970 /nfs/dbraw/zinc/92/49/70/432924970.db2.gz YKDGLYRCUKRESL-HIFRSBDPSA-N 2 1 305.422 3.291 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680310 432924972 /nfs/dbraw/zinc/92/49/72/432924972.db2.gz YKDGLYRCUKRESL-HIFRSBDPSA-N 2 1 305.422 3.291 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000279044416 432929494 /nfs/dbraw/zinc/92/94/94/432929494.db2.gz XMKBFPHTOUGERP-KBPBESRZSA-N 2 1 314.389 3.013 20 5 DGBDMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000420297320 433147522 /nfs/dbraw/zinc/14/75/22/433147522.db2.gz CXBMYCYXGODFTN-OAHLLOKOSA-N 2 1 305.422 3.195 20 5 DGBDMP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166122 433843767 /nfs/dbraw/zinc/84/37/67/433843767.db2.gz WWNFJNXMXHBWHS-WBMJQRKESA-N 2 1 305.422 3.247 20 5 DGBDMP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423507240 434464331 /nfs/dbraw/zinc/46/43/31/434464331.db2.gz PVICZUAWPQZSCC-SJORKVTESA-N 2 1 303.406 3.079 20 5 DGBDMP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[NH+](C)C ZINC000491543669 435769527 /nfs/dbraw/zinc/76/95/27/435769527.db2.gz HACAFDZFTZQTCF-CYBMUJFWSA-N 2 1 317.389 3.142 20 5 DGBDMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000575934481 316077672 /nfs/dbraw/zinc/07/76/72/316077672.db2.gz OVSSFGCOVONJTP-INIZCTEOSA-N 2 1 317.433 3.435 20 5 DGBDMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000183952647 323352135 /nfs/dbraw/zinc/35/21/35/323352135.db2.gz TWUYJLOERRGPLQ-AWEZNQCLSA-N 2 1 305.422 3.367 20 5 DGBDMP CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435389975 527871899 /nfs/dbraw/zinc/87/18/99/527871899.db2.gz NRBZIAXWYXSQLY-QKIRZYONSA-N 2 1 303.406 3.072 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468627734 534945696 /nfs/dbraw/zinc/94/56/96/534945696.db2.gz ODYUWUDGEZMBSS-MJSCBBHESA-N 2 1 317.433 3.320 20 5 DGBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903223681 619741659 /nfs/dbraw/zinc/74/16/59/619741659.db2.gz IXXBMNVLDNUTTR-NJBQOQPGSA-N 2 1 315.417 3.403 20 5 DGBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903223681 619741660 /nfs/dbraw/zinc/74/16/60/619741660.db2.gz IXXBMNVLDNUTTR-NJBQOQPGSA-N 2 1 315.417 3.403 20 5 DGBDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000903244874 619743507 /nfs/dbraw/zinc/74/35/07/619743507.db2.gz FWBAFUCHHCXDFS-MWQQHZPXSA-N 2 1 317.433 3.161 20 5 DGBDMP C[N@H+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000866110259 622047497 /nfs/dbraw/zinc/04/74/97/622047497.db2.gz UEHOJLZMYWCVMZ-UHFFFAOYSA-N 2 1 314.389 3.064 20 5 DGBDMP CC[N@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783607727 624373733 /nfs/dbraw/zinc/37/37/33/624373733.db2.gz UYCZNLVEUHAPGW-ZDUSSCGKSA-N 2 1 311.813 3.070 20 5 DGBDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783607727 624373746 /nfs/dbraw/zinc/37/37/46/624373746.db2.gz UYCZNLVEUHAPGW-ZDUSSCGKSA-N 2 1 311.813 3.070 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783607727 624373771 /nfs/dbraw/zinc/37/37/71/624373771.db2.gz UYCZNLVEUHAPGW-ZDUSSCGKSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871983 627211689 /nfs/dbraw/zinc/21/16/89/627211689.db2.gz GPXDJMXZZZRNBW-YOEHRIQHSA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871983 627211690 /nfs/dbraw/zinc/21/16/90/627211690.db2.gz GPXDJMXZZZRNBW-YOEHRIQHSA-N 2 1 303.406 3.121 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817907889 627959005 /nfs/dbraw/zinc/95/90/05/627959005.db2.gz YNWXZGMCTGSALB-NUEKZKHPSA-N 2 1 323.824 3.259 20 5 DGBDMP CC[NH2+]CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843055213 630609347 /nfs/dbraw/zinc/60/93/47/630609347.db2.gz GXFWLOBCCBQYIG-UHFFFAOYSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CC[NH3+] ZINC000844902651 630972699 /nfs/dbraw/zinc/97/26/99/630972699.db2.gz URDHPGHJYZCAIR-BXUZGUMPSA-N 2 1 311.813 3.198 20 5 DGBDMP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CC[NH3+] ZINC000844902651 630972701 /nfs/dbraw/zinc/97/27/01/630972701.db2.gz URDHPGHJYZCAIR-BXUZGUMPSA-N 2 1 311.813 3.198 20 5 DGBDMP Cc1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001335584996 1178933432 /nfs/dbraw/zinc/93/34/32/1178933432.db2.gz ZMKWKKKEASCJLL-ULQDDVLXSA-N 2 1 317.433 3.065 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001660976869 1196548862 /nfs/dbraw/zinc/54/88/62/1196548862.db2.gz RMGOUGCWTRECRF-CYBMUJFWSA-N 2 1 305.422 3.033 20 5 DGBDMP Cc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001662194085 1196692729 /nfs/dbraw/zinc/69/27/29/1196692729.db2.gz LZSPDZBCVAHZKH-HNNXBMFYSA-N 2 1 305.422 3.257 20 5 DGBDMP C[N+](C)(C)CCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001224621055 1096248694 /nfs/dbraw/zinc/24/86/94/1096248694.db2.gz JNQIJZZQABVNSN-SLFFLAALSA-N 2 1 317.497 3.010 20 5 DGBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OCCC[N+](C)(C)C ZINC001224624038 1096248874 /nfs/dbraw/zinc/24/88/74/1096248874.db2.gz TVUZHAMWYKAAFB-LJQANCHMSA-N 2 1 319.513 3.400 20 5 DGBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCC[N+](C)(C)C ZINC001224624032 1096248989 /nfs/dbraw/zinc/24/89/89/1096248989.db2.gz TVUZHAMWYKAAFB-IBGZPJMESA-N 2 1 319.513 3.400 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001173221176 1097371851 /nfs/dbraw/zinc/37/18/51/1097371851.db2.gz LFUKPVNAKMIEMC-GDBMZVCRSA-N 2 1 317.433 3.132 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001173221176 1097371857 /nfs/dbraw/zinc/37/18/57/1097371857.db2.gz LFUKPVNAKMIEMC-GDBMZVCRSA-N 2 1 317.433 3.132 20 5 DGBDMP CN1CCC([N@@H+](C)Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219928 1097972203 /nfs/dbraw/zinc/97/22/03/1097972203.db2.gz XTJKPCVQOUNLER-UHFFFAOYSA-N 2 1 320.440 3.309 20 5 DGBDMP C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@@]1(O)CC[NH2+]C1 ZINC001246048234 1104356330 /nfs/dbraw/zinc/35/63/30/1104356330.db2.gz ZADDRWZZRBYQGW-OAQYLSRUSA-N 2 1 320.436 3.149 20 5 DGBDMP C[C@]1([NH3+])CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246555581 1104592947 /nfs/dbraw/zinc/59/29/47/1104592947.db2.gz XTIJJYFLBIPTIX-WMZOPIPTSA-N 2 1 317.433 3.046 20 5 DGBDMP CC(C)[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC001246595273 1104612690 /nfs/dbraw/zinc/61/26/90/1104612690.db2.gz SZQVCVVLEPHNIN-RDJZCZTQSA-N 2 1 319.449 3.378 20 5 DGBDMP CC(C)[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC001246595274 1104613026 /nfs/dbraw/zinc/61/30/26/1104613026.db2.gz SZQVCVVLEPHNIN-WBVHZDCISA-N 2 1 319.449 3.378 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246646039 1104643606 /nfs/dbraw/zinc/64/36/06/1104643606.db2.gz GIAVBYLSGGYDAV-OAHLLOKOSA-N 2 1 317.433 3.134 20 5 DGBDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254550337 1106101837 /nfs/dbraw/zinc/10/18/37/1106101837.db2.gz HUWZARCSSSDCQK-ZMSDIMECSA-N 2 1 319.449 3.234 20 5 DGBDMP CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271883971 209293695 /nfs/dbraw/zinc/29/36/95/209293695.db2.gz QGBBAJQYIWWUEV-QGZVFWFLSA-N 2 1 303.406 3.288 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119682842 284148798 /nfs/dbraw/zinc/14/87/98/284148798.db2.gz PTOOJWYACSQSDL-ZDUSSCGKSA-N 2 1 303.406 3.181 20 5 DGBDMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000125885120 284287170 /nfs/dbraw/zinc/28/71/70/284287170.db2.gz OMRFONMHTOWGRB-OAHLLOKOSA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000119683345 195017669 /nfs/dbraw/zinc/01/76/69/195017669.db2.gz MPMABYVQDMVLQC-CYBMUJFWSA-N 2 1 303.406 3.181 20 5 DGBDMP CCC[NH+]1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255424442 285155380 /nfs/dbraw/zinc/15/53/80/285155380.db2.gz XRRNHAUOOHTUDY-VURMDHGXSA-N 2 1 317.433 3.414 20 5 DGBDMP CCC[NH+]1CCC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255424442 285155383 /nfs/dbraw/zinc/15/53/83/285155383.db2.gz XRRNHAUOOHTUDY-VURMDHGXSA-N 2 1 317.433 3.414 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000470169720 533381687 /nfs/dbraw/zinc/38/16/87/533381687.db2.gz IFJGDWHLZYVMCZ-MJSCBBHESA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000470169720 533381690 /nfs/dbraw/zinc/38/16/90/533381690.db2.gz IFJGDWHLZYVMCZ-MJSCBBHESA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000470169720 533381695 /nfs/dbraw/zinc/38/16/95/533381695.db2.gz IFJGDWHLZYVMCZ-MJSCBBHESA-N 2 1 317.433 3.272 20 5 DGBDMP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322354115 400174351 /nfs/dbraw/zinc/17/43/51/400174351.db2.gz FIOONRHUVJSSIJ-LBPRGKRZSA-N 2 1 312.373 3.100 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901500 400290539 /nfs/dbraw/zinc/29/05/39/400290539.db2.gz XKQKUYRQZXEQIP-WMLDXEAASA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901633 400290691 /nfs/dbraw/zinc/29/06/91/400290691.db2.gz ZHNLDBQFDHOCOB-GOEBONIOSA-N 2 1 317.433 3.367 20 5 DGBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)o1 ZINC000591278586 400505605 /nfs/dbraw/zinc/50/56/05/400505605.db2.gz UHUKDJPPLIYWOH-CYBMUJFWSA-N 2 1 315.373 3.087 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282905 400506550 /nfs/dbraw/zinc/50/65/50/400506550.db2.gz YYPTVYOPLSQZSW-OAHLLOKOSA-N 2 1 317.433 3.483 20 5 DGBDMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580662 400542277 /nfs/dbraw/zinc/54/22/77/400542277.db2.gz JCXHKCWEVYYQEF-WDEREUQCSA-N 2 1 305.403 3.321 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582690 400543095 /nfs/dbraw/zinc/54/30/95/400543095.db2.gz UFTRWLMOPQWBQS-HIFRSBDPSA-N 2 1 303.406 3.229 20 5 DGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000603111632 400643677 /nfs/dbraw/zinc/64/36/77/400643677.db2.gz SRXKKNHMZGCZMR-UHFFFAOYSA-N 2 1 305.422 3.293 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599069312 400947848 /nfs/dbraw/zinc/94/78/48/400947848.db2.gz FZGOJRYROVDBEG-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599069312 400947863 /nfs/dbraw/zinc/94/78/63/400947863.db2.gz FZGOJRYROVDBEG-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359453945 286311760 /nfs/dbraw/zinc/31/17/60/286311760.db2.gz GKYYSUNIXNXIGJ-UHFFFAOYSA-N 2 1 313.401 3.254 20 5 DGBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359453945 286311761 /nfs/dbraw/zinc/31/17/61/286311761.db2.gz GKYYSUNIXNXIGJ-UHFFFAOYSA-N 2 1 313.401 3.254 20 5 DGBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346642584 264071059 /nfs/dbraw/zinc/07/10/59/264071059.db2.gz MQQNPTJDMCYPIC-JSGCOSHPSA-N 2 1 315.373 3.024 20 5 DGBDMP C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH2+]CC1 ZINC000347094529 264155999 /nfs/dbraw/zinc/15/59/99/264155999.db2.gz HIULEYYSSZJVKA-UHFFFAOYSA-N 2 1 315.373 3.039 20 5 DGBDMP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH2+]CC1 ZINC000347094529 264156002 /nfs/dbraw/zinc/15/60/02/264156002.db2.gz HIULEYYSSZJVKA-UHFFFAOYSA-N 2 1 315.373 3.039 20 5 DGBDMP CC[NH+](CC)CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000350898635 264671470 /nfs/dbraw/zinc/67/14/70/264671470.db2.gz SFNCFMRNCQHKJV-UHFFFAOYSA-N 2 1 323.412 3.288 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182917671 432242037 /nfs/dbraw/zinc/24/20/37/432242037.db2.gz JANNFISLUZRETF-AWEZNQCLSA-N 2 1 316.405 3.491 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182917671 432242041 /nfs/dbraw/zinc/24/20/41/432242041.db2.gz JANNFISLUZRETF-AWEZNQCLSA-N 2 1 316.405 3.491 20 5 DGBDMP CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435389974 276079048 /nfs/dbraw/zinc/07/90/48/276079048.db2.gz NRBZIAXWYXSQLY-IQIBNGDESA-N 2 1 303.406 3.072 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000122839132 431846539 /nfs/dbraw/zinc/84/65/39/431846539.db2.gz SNAUZOHTZMPHAH-CYBMUJFWSA-N 2 1 303.406 3.181 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262008918 432467937 /nfs/dbraw/zinc/46/79/37/432467937.db2.gz WCJNLKDESPSFAR-HNNXBMFYSA-N 2 1 323.824 3.212 20 5 DGBDMP C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701725 432526437 /nfs/dbraw/zinc/52/64/37/432526437.db2.gz GDNMASZEYPHWQA-GDBMZVCRSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185701725 432526440 /nfs/dbraw/zinc/52/64/40/432526440.db2.gz GDNMASZEYPHWQA-GDBMZVCRSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701725 432526442 /nfs/dbraw/zinc/52/64/42/432526442.db2.gz GDNMASZEYPHWQA-GDBMZVCRSA-N 2 1 317.433 3.337 20 5 DGBDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160064324 432704279 /nfs/dbraw/zinc/70/42/79/432704279.db2.gz TVCNZAULTDSVFP-YOEHRIQHSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160064324 432704285 /nfs/dbraw/zinc/70/42/85/432704285.db2.gz TVCNZAULTDSVFP-YOEHRIQHSA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1c([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000161073158 432758456 /nfs/dbraw/zinc/75/84/56/432758456.db2.gz LPNLLLOYIKHTRS-ILXRZTDVSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000279056000 432929918 /nfs/dbraw/zinc/92/99/18/432929918.db2.gz YLJFGKBGMIBHCM-KGLIPLIRSA-N 2 1 314.389 3.013 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000447515147 433209873 /nfs/dbraw/zinc/20/98/73/433209873.db2.gz JMTHXQXLRSMTOH-GOSISDBHSA-N 2 1 317.433 3.438 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453592311 433226351 /nfs/dbraw/zinc/22/63/51/433226351.db2.gz DRKRLBGTIKOPPL-NTCAYCPXSA-N 2 1 317.433 3.462 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176436 433441398 /nfs/dbraw/zinc/44/13/98/433441398.db2.gz IZZIEPYUFDCJHZ-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000414359600 433566949 /nfs/dbraw/zinc/56/69/49/433566949.db2.gz OULIKTREHWIYIA-FUHWJXTLSA-N 2 1 317.433 3.134 20 5 DGBDMP Cc1c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000374165946 293360344 /nfs/dbraw/zinc/36/03/44/293360344.db2.gz VAHOPTWEZLNFPX-UHFFFAOYSA-N 2 1 317.433 3.211 20 5 DGBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414689811 433792683 /nfs/dbraw/zinc/79/26/83/433792683.db2.gz LVCOLRTTXYVQSM-GOEBONIOSA-N 2 1 305.422 3.193 20 5 DGBDMP CC(C)c1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414901276 433910019 /nfs/dbraw/zinc/91/00/19/433910019.db2.gz JMHNIDYJMAYDSJ-KRWDZBQOSA-N 2 1 305.422 3.198 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000414957596 293894092 /nfs/dbraw/zinc/89/40/92/293894092.db2.gz WCMJIUYWBQPMDO-CHWSQXEVSA-N 2 1 315.373 3.085 20 5 DGBDMP CC(C)[NH+]1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506387296 294270141 /nfs/dbraw/zinc/27/01/41/294270141.db2.gz REOVHMJYLIRRGC-VURMDHGXSA-N 2 1 317.433 3.413 20 5 DGBDMP CC(C)[NH+]1CCC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506387296 294270144 /nfs/dbraw/zinc/27/01/44/294270144.db2.gz REOVHMJYLIRRGC-VURMDHGXSA-N 2 1 317.433 3.413 20 5 DGBDMP COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422944262 434129479 /nfs/dbraw/zinc/12/94/79/434129479.db2.gz LFAUKJPJBQQFSV-DZGCQCFKSA-N 2 1 321.421 3.004 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]CC([NH3+])(CC)CC)cc1[N+](=O)[O-] ZINC000423288693 434344680 /nfs/dbraw/zinc/34/46/80/434344680.db2.gz UJZAKZQDVCJVIM-LBPRGKRZSA-N 2 1 309.410 3.162 20 5 DGBDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423296307 434349367 /nfs/dbraw/zinc/34/93/67/434349367.db2.gz GOJIDNSICPAVLL-OIISXLGYSA-N 2 1 319.449 3.413 20 5 DGBDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303267 434351071 /nfs/dbraw/zinc/35/10/71/434351071.db2.gz ADBWWXUDJSEIGF-GOSISDBHSA-N 2 1 315.417 3.214 20 5 DGBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531956865 435128878 /nfs/dbraw/zinc/12/88/78/435128878.db2.gz NORPLVBVRLWTDO-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531956865 435128880 /nfs/dbraw/zinc/12/88/80/435128880.db2.gz NORPLVBVRLWTDO-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000477917908 435284767 /nfs/dbraw/zinc/28/47/67/435284767.db2.gz BCBNSOBIEUTPID-CQSZACIVSA-N 2 1 305.422 3.367 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767984 435471076 /nfs/dbraw/zinc/47/10/76/435471076.db2.gz CHLCGRAGNWDABH-YOEHRIQHSA-N 2 1 317.433 3.292 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767984 435471079 /nfs/dbraw/zinc/47/10/79/435471079.db2.gz CHLCGRAGNWDABH-YOEHRIQHSA-N 2 1 317.433 3.292 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000568461764 435437667 /nfs/dbraw/zinc/43/76/67/435437667.db2.gz XPAZIUIMWGRSRW-UONOGXRCSA-N 2 1 314.389 3.187 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000532551390 313561167 /nfs/dbraw/zinc/56/11/67/313561167.db2.gz ALEVFIGBPFXJTG-RRFJBIMHSA-N 2 1 305.422 3.427 20 5 DGBDMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000894717656 618434274 /nfs/dbraw/zinc/43/42/74/618434274.db2.gz FSWVSZOPCPJIAD-QGZVFWFLSA-N 2 1 317.433 3.116 20 5 DGBDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000906517269 620102071 /nfs/dbraw/zinc/10/20/71/620102071.db2.gz LHXWJSGLOXQKFR-MGCOHNPYSA-N 2 1 321.764 3.088 20 5 DGBDMP CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000153947255 620625983 /nfs/dbraw/zinc/62/59/83/620625983.db2.gz SMFJUPLSVISYQE-CYBMUJFWSA-N 2 1 311.813 3.022 20 5 DGBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000866368741 622104725 /nfs/dbraw/zinc/10/47/25/622104725.db2.gz GBKJQFCRWFAHOZ-ZDUSSCGKSA-N 2 1 323.412 3.129 20 5 DGBDMP Cc1c(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000866702986 622158218 /nfs/dbraw/zinc/15/82/18/622158218.db2.gz FZVBEOLITDKDRE-QGZVFWFLSA-N 2 1 305.422 3.100 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704658 622158301 /nfs/dbraw/zinc/15/83/01/622158301.db2.gz PYJRNJONWACTPX-DYVFJYSZSA-N 2 1 305.422 3.353 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000872030770 622763156 /nfs/dbraw/zinc/76/31/56/622763156.db2.gz JGFNQHHPHWVGTE-NSHDSACASA-N 2 1 320.418 3.172 20 5 DGBDMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000872253098 622868181 /nfs/dbraw/zinc/86/81/81/622868181.db2.gz ZWENGHMVSOATCS-CYBMUJFWSA-N 2 1 311.813 3.116 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000873130252 623042637 /nfs/dbraw/zinc/04/26/37/623042637.db2.gz CGDDNPPJMCEKBD-HNNXBMFYSA-N 2 1 305.422 3.033 20 5 DGBDMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000788609939 625226992 /nfs/dbraw/zinc/22/69/92/625226992.db2.gz KHBFEELCURSIFJ-AWEZNQCLSA-N 2 1 322.453 3.337 20 5 DGBDMP Cc1[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1C ZINC000886666581 627184373 /nfs/dbraw/zinc/18/43/73/627184373.db2.gz VQBJQOXKFKELNR-UHFFFAOYSA-N 2 1 314.389 3.314 20 5 DGBDMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001561054834 1189428058 /nfs/dbraw/zinc/42/80/58/1189428058.db2.gz OEDKCUFDBQUMFE-GFCCVEGCSA-N 2 1 313.829 3.458 20 5 DGBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998300 1092479227 /nfs/dbraw/zinc/47/92/27/1092479227.db2.gz LBXNWYXCEWCRMJ-TVFCKZIOSA-N 2 1 323.481 3.194 20 5 DGBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998302 1092479482 /nfs/dbraw/zinc/47/94/82/1092479482.db2.gz LBXNWYXCEWCRMJ-XSLAGTTESA-N 2 1 323.481 3.194 20 5 DGBDMP C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193251010 1100721597 /nfs/dbraw/zinc/72/15/97/1100721597.db2.gz SYXPGMGODIFBBJ-GDBMZVCRSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001193251010 1100721599 /nfs/dbraw/zinc/72/15/99/1100721599.db2.gz SYXPGMGODIFBBJ-GDBMZVCRSA-N 2 1 317.433 3.337 20 5 DGBDMP C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@]1(O)CC[NH2+]C1 ZINC001246048230 1104358697 /nfs/dbraw/zinc/35/86/97/1104358697.db2.gz ZADDRWZZRBYQGW-NRFANRHFSA-N 2 1 320.436 3.149 20 5 DGBDMP CC(C)[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC001246595268 1104611854 /nfs/dbraw/zinc/61/18/54/1104611854.db2.gz SZQVCVVLEPHNIN-DOTOQJQBSA-N 2 1 319.449 3.378 20 5 DGBDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094262 1105887058 /nfs/dbraw/zinc/88/70/58/1105887058.db2.gz BANZXHJUWLMEJH-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094262 1105887062 /nfs/dbraw/zinc/88/70/62/1105887062.db2.gz BANZXHJUWLMEJH-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254534732 1106096801 /nfs/dbraw/zinc/09/68/01/1106096801.db2.gz CDNKDNYXWFNGLD-OAHLLOKOSA-N 2 1 307.438 3.237 20 5 DGBDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382644 1108438446 /nfs/dbraw/zinc/43/84/46/1108438446.db2.gz HYMHNUGTKQKADK-RHSMWYFYSA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173386098 198209504 /nfs/dbraw/zinc/20/95/04/198209504.db2.gz SPWXMMZRMVVXJW-CHWSQXEVSA-N 2 1 302.378 3.087 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000165302706 432055566 /nfs/dbraw/zinc/05/55/66/432055566.db2.gz VNZGFGHVIVESBT-DZGCQCFKSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261065 296006940 /nfs/dbraw/zinc/00/69/40/296006940.db2.gz IYEAQFZHPVOBJJ-BBRMVZONSA-N 2 1 305.422 3.023 20 5 DGBDMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482515320 244807613 /nfs/dbraw/zinc/80/76/13/244807613.db2.gz WPMLEERQFSNVQW-PBHICJAKSA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268850083 207017132 /nfs/dbraw/zinc/01/71/32/207017132.db2.gz KCMBAWXSZVEGRP-ZDUSSCGKSA-N 2 1 302.378 3.149 20 5 DGBDMP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC[NH+](C)CC1 ZINC000063120739 184271877 /nfs/dbraw/zinc/27/18/77/184271877.db2.gz GAYJFNVHVXFZQF-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601124262 400240849 /nfs/dbraw/zinc/24/08/49/400240849.db2.gz CQPKEUBYQWPUFU-CQSZACIVSA-N 2 1 314.389 3.064 20 5 DGBDMP C[NH+]1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347869 400512780 /nfs/dbraw/zinc/51/27/80/400512780.db2.gz GEPRRYHRKFWTPG-KRWDZBQOSA-N 2 1 303.406 3.046 20 5 DGBDMP C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073956 400951820 /nfs/dbraw/zinc/95/18/20/400951820.db2.gz ODQQIYYFMPAQIX-DYVFJYSZSA-N 2 1 303.406 3.262 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364448463 287027896 /nfs/dbraw/zinc/02/78/96/287027896.db2.gz QKWZQFOJOPZPDI-DJIMGWMZSA-N 2 1 317.433 3.132 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171141352 228269938 /nfs/dbraw/zinc/26/99/38/228269938.db2.gz VUFBPXBNKHYFDX-UKRRQHHQSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346693035 264080245 /nfs/dbraw/zinc/08/02/45/264080245.db2.gz KMGIFNUEYPWQTO-OLZOCXBDSA-N 2 1 315.373 3.024 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000442928106 278035656 /nfs/dbraw/zinc/03/56/56/278035656.db2.gz PIRHSKWNKXKWCW-AWEZNQCLSA-N 2 1 305.422 3.279 20 5 DGBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000191501405 432271322 /nfs/dbraw/zinc/27/13/22/432271322.db2.gz VIBLAJSAQFQHIK-UHFFFAOYSA-N 2 1 316.405 3.266 20 5 DGBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000191501405 432271327 /nfs/dbraw/zinc/27/13/27/432271327.db2.gz VIBLAJSAQFQHIK-UHFFFAOYSA-N 2 1 316.405 3.266 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156349616 432595121 /nfs/dbraw/zinc/59/51/21/432595121.db2.gz UVHPHWKHZIDYCH-GUYCJALGSA-N 2 1 313.357 3.204 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccncc2)C1 ZINC000156349616 432595126 /nfs/dbraw/zinc/59/51/26/432595126.db2.gz UVHPHWKHZIDYCH-GUYCJALGSA-N 2 1 313.357 3.204 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245531611 432840693 /nfs/dbraw/zinc/84/06/93/432840693.db2.gz TZKFFRQCUOWQMY-GJZGRUSLSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245531611 432840696 /nfs/dbraw/zinc/84/06/96/432840696.db2.gz TZKFFRQCUOWQMY-GJZGRUSLSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245531611 432840699 /nfs/dbraw/zinc/84/06/99/432840699.db2.gz TZKFFRQCUOWQMY-GJZGRUSLSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245531611 432840702 /nfs/dbraw/zinc/84/07/02/432840702.db2.gz TZKFFRQCUOWQMY-GJZGRUSLSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000279055994 432929953 /nfs/dbraw/zinc/92/99/53/432929953.db2.gz YLJFGKBGMIBHCM-KBPBESRZSA-N 2 1 314.389 3.013 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337594665 433242707 /nfs/dbraw/zinc/24/27/07/433242707.db2.gz OIBVFKBCACNMSQ-BPUTZDHNSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337594665 433242713 /nfs/dbraw/zinc/24/27/13/433242713.db2.gz OIBVFKBCACNMSQ-BPUTZDHNSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337594667 433244325 /nfs/dbraw/zinc/24/43/25/433244325.db2.gz OIBVFKBCACNMSQ-IMJJTQAJSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337594667 433244334 /nfs/dbraw/zinc/24/43/34/433244334.db2.gz OIBVFKBCACNMSQ-IMJJTQAJSA-N 2 1 303.406 3.181 20 5 DGBDMP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414895281 433904752 /nfs/dbraw/zinc/90/47/52/433904752.db2.gz WPMQLSZPNDXWPL-OAHLLOKOSA-N 2 1 317.414 3.150 20 5 DGBDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414977707 433955035 /nfs/dbraw/zinc/95/50/35/433955035.db2.gz KQXOYWVOPGTHQK-GFCCVEGCSA-N 2 1 305.403 3.150 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363791585 434148007 /nfs/dbraw/zinc/14/80/07/434148007.db2.gz JWIRHWMUKMFAEY-ZNMIVQPWSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363791585 434148016 /nfs/dbraw/zinc/14/80/16/434148016.db2.gz JWIRHWMUKMFAEY-ZNMIVQPWSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266085 434323031 /nfs/dbraw/zinc/32/30/31/434323031.db2.gz RUTPLPYMAVPRNA-CZUORRHYSA-N 2 1 305.422 3.461 20 5 DGBDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423296308 434348540 /nfs/dbraw/zinc/34/85/40/434348540.db2.gz GOJIDNSICPAVLL-UAGQMJEPSA-N 2 1 319.449 3.413 20 5 DGBDMP CC[NH+]1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302820 434352421 /nfs/dbraw/zinc/35/24/21/434352421.db2.gz BWBSMLPYMGIGRQ-GOSISDBHSA-N 2 1 317.433 3.436 20 5 DGBDMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000401762006 434498203 /nfs/dbraw/zinc/49/82/03/434498203.db2.gz CUOGKMJJIAIABC-INIZCTEOSA-N 2 1 302.378 3.002 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777184 434715072 /nfs/dbraw/zinc/71/50/72/434715072.db2.gz KGDGDXQBKDZCOM-HZPDHXFCSA-N 2 1 319.449 3.237 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459777186 434715562 /nfs/dbraw/zinc/71/55/62/434715562.db2.gz KGDGDXQBKDZCOM-JKSUJKDBSA-N 2 1 319.449 3.237 20 5 DGBDMP CC1(C)CC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000578378838 435078898 /nfs/dbraw/zinc/07/88/98/435078898.db2.gz QOGIGQVUZDZUDF-OAHLLOKOSA-N 2 1 317.433 3.481 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000560897080 435194614 /nfs/dbraw/zinc/19/46/14/435194614.db2.gz SWCZJZNRAOGQLU-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000560897081 435195083 /nfs/dbraw/zinc/19/50/83/435195083.db2.gz SWCZJZNRAOGQLU-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([C@H](C)NCC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000538278049 435490829 /nfs/dbraw/zinc/49/08/29/435490829.db2.gz JGEWMASVDSHLAB-GOEBONIOSA-N 2 1 305.422 3.428 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000538278049 435490834 /nfs/dbraw/zinc/49/08/34/435490834.db2.gz JGEWMASVDSHLAB-GOEBONIOSA-N 2 1 305.422 3.428 20 5 DGBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000571415720 435706014 /nfs/dbraw/zinc/70/60/14/435706014.db2.gz BLVOVQVQKAEWMF-QGZVFWFLSA-N 2 1 315.417 3.189 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000576742577 316162172 /nfs/dbraw/zinc/16/21/72/316162172.db2.gz VKUCKXQHLJBEFH-FVLHSZHDSA-N 2 1 317.433 3.318 20 5 DGBDMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294700982 533810591 /nfs/dbraw/zinc/81/05/91/533810591.db2.gz JAQVWSRYLVFUMK-LBPRGKRZSA-N 2 1 320.437 3.091 20 5 DGBDMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435378366 534568111 /nfs/dbraw/zinc/56/81/11/534568111.db2.gz DLAQGEGQZUAZDL-UHFFFAOYSA-N 2 1 317.414 3.246 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430126944 527501322 /nfs/dbraw/zinc/50/13/22/527501322.db2.gz VWNDTKKSSNRLOH-QWSHFYNQSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430126944 527501329 /nfs/dbraw/zinc/50/13/29/527501329.db2.gz VWNDTKKSSNRLOH-QWSHFYNQSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430126944 527501332 /nfs/dbraw/zinc/50/13/32/527501332.db2.gz VWNDTKKSSNRLOH-QWSHFYNQSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430126944 527501335 /nfs/dbraw/zinc/50/13/35/527501335.db2.gz VWNDTKKSSNRLOH-QWSHFYNQSA-N 2 1 315.417 3.026 20 5 DGBDMP CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435389972 527871008 /nfs/dbraw/zinc/87/10/08/527871008.db2.gz NRBZIAXWYXSQLY-BVBGJJFLSA-N 2 1 303.406 3.072 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000897465720 619130518 /nfs/dbraw/zinc/13/05/18/619130518.db2.gz GZQPHMWGCTZUIR-LZWOXQAQSA-N 2 1 305.422 3.018 20 5 DGBDMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903814148 619814488 /nfs/dbraw/zinc/81/44/88/619814488.db2.gz KOUQUQGRAAFUSM-MRXNPFEDSA-N 2 1 303.406 3.078 20 5 DGBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000904405133 619920209 /nfs/dbraw/zinc/92/02/09/619920209.db2.gz FHQHNDUDQIBBKZ-ZDUSSCGKSA-N 2 1 315.373 3.026 20 5 DGBDMP CC[NH2+]CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000113656329 620934719 /nfs/dbraw/zinc/93/47/19/620934719.db2.gz WRRWRKHXOILFLT-UHFFFAOYSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705557 622158833 /nfs/dbraw/zinc/15/88/33/622158833.db2.gz CMBGDASQZFUYAM-SUMWQHHRSA-N 2 1 305.422 3.353 20 5 DGBDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077766 622792638 /nfs/dbraw/zinc/79/26/38/622792638.db2.gz AXTBSPZDRBSXJR-CHWSQXEVSA-N 2 1 309.385 3.116 20 5 DGBDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077768 622792900 /nfs/dbraw/zinc/79/29/00/622792900.db2.gz AXTBSPZDRBSXJR-QWHCGFSZSA-N 2 1 309.385 3.116 20 5 DGBDMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000872251818 622867313 /nfs/dbraw/zinc/86/73/13/622867313.db2.gz NQYVCJGUDVWUOE-GFCCVEGCSA-N 2 1 311.813 3.116 20 5 DGBDMP [NH3+]CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000843384817 630650951 /nfs/dbraw/zinc/65/09/51/630650951.db2.gz BGSHSDICEAQONJ-UHFFFAOYSA-N 2 1 309.385 3.075 20 5 DGBDMP [NH3+]CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000843384817 630650952 /nfs/dbraw/zinc/65/09/52/630650952.db2.gz BGSHSDICEAQONJ-UHFFFAOYSA-N 2 1 309.385 3.075 20 5 DGBDMP C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CC[NH3+] ZINC000844902653 630973073 /nfs/dbraw/zinc/97/30/73/630973073.db2.gz URDHPGHJYZCAIR-FZMZJTMJSA-N 2 1 311.813 3.198 20 5 DGBDMP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CC[NH3+] ZINC000844902653 630973078 /nfs/dbraw/zinc/97/30/78/630973078.db2.gz URDHPGHJYZCAIR-FZMZJTMJSA-N 2 1 311.813 3.198 20 5 DGBDMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844904259 630973166 /nfs/dbraw/zinc/97/31/66/630973166.db2.gz GCBFJEPCGHBYOA-UHFFFAOYSA-N 2 1 319.792 3.257 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001173222845 1097372834 /nfs/dbraw/zinc/37/28/34/1097372834.db2.gz ZMVGYFUZGBTWEF-QXRTWZOPSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001173222845 1097372838 /nfs/dbraw/zinc/37/28/38/1097372838.db2.gz ZMVGYFUZGBTWEF-QXRTWZOPSA-N 2 1 317.433 3.131 20 5 DGBDMP Cc1c(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001177294872 1098505070 /nfs/dbraw/zinc/50/50/70/1098505070.db2.gz QHFAIRKDJYALLH-GJZGRUSLSA-N 2 1 319.449 3.361 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319201284 1108362045 /nfs/dbraw/zinc/36/20/45/1108362045.db2.gz OPZZQNJNVKGQNG-UWWQBHOKSA-N 2 1 319.449 3.378 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427859 186071676 /nfs/dbraw/zinc/07/16/76/186071676.db2.gz CRBMGMQMYRQPCZ-KBPBESRZSA-N 2 1 303.406 3.038 20 5 DGBDMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433126148 238147672 /nfs/dbraw/zinc/14/76/72/238147672.db2.gz NGNBBVPSWQTCFV-MRXNPFEDSA-N 2 1 319.449 3.495 20 5 DGBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435390400 238299831 /nfs/dbraw/zinc/29/98/31/238299831.db2.gz OYYGKZIBHLXSCZ-LBPRGKRZSA-N 2 1 317.414 3.104 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000468631305 244057244 /nfs/dbraw/zinc/05/72/44/244057244.db2.gz KHHHHMDIWIWVCL-SDNWHVSQSA-N 2 1 315.417 3.215 20 5 DGBDMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121211877 284191308 /nfs/dbraw/zinc/19/13/08/284191308.db2.gz IUWMMRAFSUEMDI-WMLDXEAASA-N 2 1 305.422 3.367 20 5 DGBDMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000268855398 207022455 /nfs/dbraw/zinc/02/24/55/207022455.db2.gz ZCCXAUKYDIGHLQ-MRXNPFEDSA-N 2 1 302.378 3.231 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000344792502 254306158 /nfs/dbraw/zinc/30/61/58/254306158.db2.gz NAMUWOIUEYAAMT-MBSJSRAVSA-N 2 1 315.417 3.072 20 5 DGBDMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294700977 224178123 /nfs/dbraw/zinc/17/81/23/224178123.db2.gz JAQVWSRYLVFUMK-GFCCVEGCSA-N 2 1 320.437 3.091 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468650666 533410468 /nfs/dbraw/zinc/41/04/68/533410468.db2.gz VFKCSVCJGLXUJR-POPWGMBXSA-N 2 1 303.406 3.070 20 5 DGBDMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600679702 400128409 /nfs/dbraw/zinc/12/84/09/400128409.db2.gz NRBZWLTVZDZTOH-JHNDHUHGSA-N 2 1 317.433 3.036 20 5 DGBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000093659941 400251683 /nfs/dbraw/zinc/25/16/83/400251683.db2.gz GVFJOUPLDPHVNB-LKUPDRCFSA-N 2 1 317.433 3.414 20 5 DGBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000093659941 400251684 /nfs/dbraw/zinc/25/16/84/400251684.db2.gz GVFJOUPLDPHVNB-LKUPDRCFSA-N 2 1 317.433 3.414 20 5 DGBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@@H+]1C ZINC000093659941 400251685 /nfs/dbraw/zinc/25/16/85/400251685.db2.gz GVFJOUPLDPHVNB-LKUPDRCFSA-N 2 1 317.433 3.414 20 5 DGBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@H+]1C ZINC000093659941 400251687 /nfs/dbraw/zinc/25/16/87/400251687.db2.gz GVFJOUPLDPHVNB-LKUPDRCFSA-N 2 1 317.433 3.414 20 5 DGBDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206586 400277133 /nfs/dbraw/zinc/27/71/33/400277133.db2.gz UAKAMMGDWAIGKK-GGVHLCNSSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206586 400277136 /nfs/dbraw/zinc/27/71/36/400277136.db2.gz UAKAMMGDWAIGKK-GGVHLCNSSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206586 400277140 /nfs/dbraw/zinc/27/71/40/400277140.db2.gz UAKAMMGDWAIGKK-GGVHLCNSSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206586 400277143 /nfs/dbraw/zinc/27/71/43/400277143.db2.gz UAKAMMGDWAIGKK-GGVHLCNSSA-N 2 1 315.417 3.024 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901499 400291063 /nfs/dbraw/zinc/29/10/63/400291063.db2.gz XKQKUYRQZXEQIP-RHSMWYFYSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094078 400315845 /nfs/dbraw/zinc/31/58/45/400315845.db2.gz JFAHHGWXDVSELL-HOCLYGCPSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094078 400315848 /nfs/dbraw/zinc/31/58/48/400315848.db2.gz JFAHHGWXDVSELL-HOCLYGCPSA-N 2 1 317.433 3.367 20 5 DGBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)o2)c1 ZINC000591278571 400505620 /nfs/dbraw/zinc/50/56/20/400505620.db2.gz RWROIZCDKRREHX-AWEZNQCLSA-N 2 1 315.373 3.087 20 5 DGBDMP C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073495 400950953 /nfs/dbraw/zinc/95/09/53/400950953.db2.gz HBZFUGZAWQJIDI-GUYCJALGSA-N 2 1 303.406 3.262 20 5 DGBDMP CC1(C)CCC[N@H+]1CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599088303 400956651 /nfs/dbraw/zinc/95/66/51/400956651.db2.gz QAXAKBAUMNOGCJ-UHFFFAOYSA-N 2 1 314.389 3.429 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327197 292296058 /nfs/dbraw/zinc/29/60/58/292296058.db2.gz KYOZZGLIXVGLBV-JYJNAYRXSA-N 2 1 317.433 3.286 20 5 DGBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247098179 432201249 /nfs/dbraw/zinc/20/12/49/432201249.db2.gz PXDBTDDYQQRRES-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247098179 432201250 /nfs/dbraw/zinc/20/12/50/432201250.db2.gz PXDBTDDYQQRRES-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346827199 264104871 /nfs/dbraw/zinc/10/48/71/264104871.db2.gz HTRVSFTWZIJDKO-UAGQMJEPSA-N 2 1 317.433 3.277 20 5 DGBDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347091347 264154799 /nfs/dbraw/zinc/15/47/99/264154799.db2.gz FDJZLNHCTQNSPP-ZDUSSCGKSA-N 2 1 315.373 3.026 20 5 DGBDMP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1[NH3+] ZINC000347106895 264157650 /nfs/dbraw/zinc/15/76/50/264157650.db2.gz MCOLTRHKXYRZEM-MLGOLLRUSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1[NH3+] ZINC000347106895 264157653 /nfs/dbraw/zinc/15/76/53/264157653.db2.gz MCOLTRHKXYRZEM-MLGOLLRUSA-N 2 1 315.373 3.024 20 5 DGBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309527 274861617 /nfs/dbraw/zinc/86/16/17/274861617.db2.gz FARQJADFWIJAJJ-KRWDZBQOSA-N 2 1 314.389 3.157 20 5 DGBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433171828 274861638 /nfs/dbraw/zinc/86/16/38/274861638.db2.gz BKHFCMUGBRWTMP-INIZCTEOSA-N 2 1 314.389 3.112 20 5 DGBDMP C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701767 432525233 /nfs/dbraw/zinc/52/52/33/432525233.db2.gz GDNMASZEYPHWQA-ZBFHGGJFSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185701767 432525238 /nfs/dbraw/zinc/52/52/38/432525238.db2.gz GDNMASZEYPHWQA-ZBFHGGJFSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701767 432525242 /nfs/dbraw/zinc/52/52/42/432525242.db2.gz GDNMASZEYPHWQA-ZBFHGGJFSA-N 2 1 317.433 3.337 20 5 DGBDMP CC[N@H+](CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000156573227 432600161 /nfs/dbraw/zinc/60/01/61/432600161.db2.gz PTGJZTFYKLYPEB-KRWDZBQOSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[N@@H+](CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000156573227 432600163 /nfs/dbraw/zinc/60/01/63/432600163.db2.gz PTGJZTFYKLYPEB-KRWDZBQOSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160064187 432704314 /nfs/dbraw/zinc/70/43/14/432704314.db2.gz TVCNZAULTDSVFP-PBHICJAKSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160064187 432704318 /nfs/dbraw/zinc/70/43/18/432704318.db2.gz TVCNZAULTDSVFP-PBHICJAKSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521596 432838944 /nfs/dbraw/zinc/83/89/44/432838944.db2.gz KYSJMJIAVXXARN-CABCVRRESA-N 2 1 305.422 3.238 20 5 DGBDMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521596 432838946 /nfs/dbraw/zinc/83/89/46/432838946.db2.gz KYSJMJIAVXXARN-CABCVRRESA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521596 432838947 /nfs/dbraw/zinc/83/89/47/432838947.db2.gz KYSJMJIAVXXARN-CABCVRRESA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521596 432838949 /nfs/dbraw/zinc/83/89/49/432838949.db2.gz KYSJMJIAVXXARN-CABCVRRESA-N 2 1 305.422 3.238 20 5 DGBDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574188 433101066 /nfs/dbraw/zinc/10/10/66/433101066.db2.gz UAKAMMGDWAIGKK-MWRSBEEJSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574188 433101077 /nfs/dbraw/zinc/10/10/77/433101077.db2.gz UAKAMMGDWAIGKK-MWRSBEEJSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574188 433101087 /nfs/dbraw/zinc/10/10/87/433101087.db2.gz UAKAMMGDWAIGKK-MWRSBEEJSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574188 433101096 /nfs/dbraw/zinc/10/10/96/433101096.db2.gz UAKAMMGDWAIGKK-MWRSBEEJSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574188 433101102 /nfs/dbraw/zinc/10/11/02/433101102.db2.gz UAKAMMGDWAIGKK-MWRSBEEJSA-N 2 1 315.417 3.024 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000447515148 433209182 /nfs/dbraw/zinc/20/91/82/433209182.db2.gz JMTHXQXLRSMTOH-SFHVURJKSA-N 2 1 317.433 3.438 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327196 433167185 /nfs/dbraw/zinc/16/71/85/433167185.db2.gz KYOZZGLIXVGLBV-HRCADAONSA-N 2 1 317.433 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000165302307 292878804 /nfs/dbraw/zinc/87/88/04/292878804.db2.gz MLBCKPXSZKHDMQ-ZFWWWQNUSA-N 2 1 305.422 3.286 20 5 DGBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414689814 433792212 /nfs/dbraw/zinc/79/22/12/433792212.db2.gz LVCOLRTTXYVQSM-ZBFHGGJFSA-N 2 1 305.422 3.193 20 5 DGBDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284228043 433864891 /nfs/dbraw/zinc/86/48/91/433864891.db2.gz UMADDMCKWOHHMO-ZDUSSCGKSA-N 2 1 320.437 3.092 20 5 DGBDMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840057 433871874 /nfs/dbraw/zinc/87/18/74/433871874.db2.gz MDGKQGKTHXTWNZ-DIEDAUMRSA-N 2 1 303.406 3.105 20 5 DGBDMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423324951 434359178 /nfs/dbraw/zinc/35/91/78/434359178.db2.gz LHCBLRXJSJRABD-MNOVXSKESA-N 2 1 305.403 3.321 20 5 DGBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244807 435070817 /nfs/dbraw/zinc/07/08/17/435070817.db2.gz LMKXCHDECLXHCG-TZMCWYRMSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244807 435070822 /nfs/dbraw/zinc/07/08/22/435070822.db2.gz LMKXCHDECLXHCG-TZMCWYRMSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420159 435822492 /nfs/dbraw/zinc/82/24/92/435822492.db2.gz NOILVXFTIOVVMZ-TZMCWYRMSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420159 435822500 /nfs/dbraw/zinc/82/25/00/435822500.db2.gz NOILVXFTIOVVMZ-TZMCWYRMSA-N 2 1 315.373 3.166 20 5 DGBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000584539682 337359356 /nfs/dbraw/zinc/35/93/56/337359356.db2.gz ALHGGZQUULJHIQ-KRWDZBQOSA-N 2 1 315.417 3.046 20 5 DGBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903131634 619723312 /nfs/dbraw/zinc/72/33/12/619723312.db2.gz JMNJLDWBQUDPTI-WPXLMEDKSA-N 2 1 315.417 3.403 20 5 DGBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903131634 619723313 /nfs/dbraw/zinc/72/33/13/619723313.db2.gz JMNJLDWBQUDPTI-WPXLMEDKSA-N 2 1 315.417 3.403 20 5 DGBDMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903815878 619814409 /nfs/dbraw/zinc/81/44/09/619814409.db2.gz TXCAZOMHRHYHLJ-QGZVFWFLSA-N 2 1 317.433 3.121 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000903977344 619848701 /nfs/dbraw/zinc/84/87/01/619848701.db2.gz PHUIABDZBHTXPH-UKRRQHHQSA-N 2 1 305.422 3.135 20 5 DGBDMP Cc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000866710035 622158921 /nfs/dbraw/zinc/15/89/21/622158921.db2.gz WIYGGNNRXINLNS-QGZVFWFLSA-N 2 1 305.422 3.100 20 5 DGBDMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026168 622760059 /nfs/dbraw/zinc/76/00/59/622760059.db2.gz YKABPRKGIINMRS-STQMWFEESA-N 2 1 323.462 3.309 20 5 DGBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026168 622760060 /nfs/dbraw/zinc/76/00/60/622760060.db2.gz YKABPRKGIINMRS-STQMWFEESA-N 2 1 323.462 3.309 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039150 622768743 /nfs/dbraw/zinc/76/87/43/622768743.db2.gz RAYKABSLVGAJRI-GFCCVEGCSA-N 2 1 320.368 3.370 20 5 DGBDMP Cc1c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000873008925 623017182 /nfs/dbraw/zinc/01/71/82/623017182.db2.gz VWEMUXDWICPXPO-UHFFFAOYSA-N 2 1 305.422 3.302 20 5 DGBDMP Cc1[nH]c(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC000886668817 627184664 /nfs/dbraw/zinc/18/46/64/627184664.db2.gz ZUBPSSBVTFEDHL-UHFFFAOYSA-N 2 1 314.389 3.314 20 5 DGBDMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554796 627684136 /nfs/dbraw/zinc/68/41/36/627684136.db2.gz IZESTIDXCLBAJB-UONOGXRCSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554796 627684140 /nfs/dbraw/zinc/68/41/40/627684140.db2.gz IZESTIDXCLBAJB-UONOGXRCSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554796 627684143 /nfs/dbraw/zinc/68/41/43/627684143.db2.gz IZESTIDXCLBAJB-UONOGXRCSA-N 2 1 320.437 3.092 20 5 DGBDMP CCC1([NH3+])CC[NH+]([C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000925761342 627790558 /nfs/dbraw/zinc/79/05/58/627790558.db2.gz ZWYYQEWEDLQYJP-INIZCTEOSA-N 2 1 303.406 3.176 20 5 DGBDMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818340689 628015678 /nfs/dbraw/zinc/01/56/78/628015678.db2.gz QNQQSOMGVDLEIA-GFCCVEGCSA-N 2 1 323.824 3.212 20 5 DGBDMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004686 630394581 /nfs/dbraw/zinc/39/45/81/630394581.db2.gz XCUPITPEQFECIZ-NEPJUHHUSA-N 2 1 311.813 3.068 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000842472971 630539749 /nfs/dbraw/zinc/53/97/49/630539749.db2.gz NPRHCIFTZUSAPL-MRXNPFEDSA-N 2 1 323.824 3.212 20 5 DGBDMP CCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC000261929386 657204906 /nfs/dbraw/zinc/20/49/06/657204906.db2.gz LHOQUOFRSVGFRS-UHFFFAOYSA-N 2 1 311.813 3.212 20 5 DGBDMP CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC000261929386 657204913 /nfs/dbraw/zinc/20/49/13/657204913.db2.gz LHOQUOFRSVGFRS-UHFFFAOYSA-N 2 1 311.813 3.212 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734924 1191989984 /nfs/dbraw/zinc/98/99/84/1191989984.db2.gz SZTLKAOYJZAUKM-QAPCUYQASA-N 2 1 317.433 3.163 20 5 DGBDMP Cc1c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001656897224 1196081361 /nfs/dbraw/zinc/08/13/61/1196081361.db2.gz WHPQUJPQYIMHEE-CQSZACIVSA-N 2 1 305.422 3.115 20 5 DGBDMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065893 1083872970 /nfs/dbraw/zinc/87/29/70/1083872970.db2.gz RDVOLVZAVZIKIE-CRAIPNDOSA-N 2 1 319.449 3.190 20 5 DGBDMP C[N+](C)(C)CCCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001224621729 1096248297 /nfs/dbraw/zinc/24/82/97/1096248297.db2.gz CMHVDCZDGKHBGP-PMOLBWCYSA-N 2 1 317.497 3.010 20 5 DGBDMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899567 1097267337 /nfs/dbraw/zinc/26/73/37/1097267337.db2.gz APSLUNRWVQARAN-AQFXKWCLSA-N 2 1 317.433 3.044 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001173217095 1097368953 /nfs/dbraw/zinc/36/89/53/1097368953.db2.gz LLKMKRAQCQLBEO-CVEARBPZSA-N 2 1 319.449 3.380 20 5 DGBDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173228911 1097375822 /nfs/dbraw/zinc/37/58/22/1097375822.db2.gz NNCFITSFAZLLBD-HDMKZQKVSA-N 2 1 319.449 3.234 20 5 DGBDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001173228912 1097376617 /nfs/dbraw/zinc/37/66/17/1097376617.db2.gz NNCFITSFAZLLBD-IIDMSEBBSA-N 2 1 319.449 3.234 20 5 DGBDMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246555571 1104593877 /nfs/dbraw/zinc/59/38/77/1104593877.db2.gz XTIJJYFLBIPTIX-AEFFLSMTSA-N 2 1 317.433 3.046 20 5 DGBDMP CC(C)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC001246581842 1104604140 /nfs/dbraw/zinc/60/41/40/1104604140.db2.gz BGHUUJSGXJGJRG-DOTOQJQBSA-N 2 1 319.449 3.378 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650096 1104647752 /nfs/dbraw/zinc/64/77/52/1104647752.db2.gz GUTUZAMHGNTQSS-MAUKXSAKSA-N 2 1 317.433 3.134 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650096 1104647753 /nfs/dbraw/zinc/64/77/53/1104647753.db2.gz GUTUZAMHGNTQSS-MAUKXSAKSA-N 2 1 317.433 3.134 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000164685214 432050873 /nfs/dbraw/zinc/05/08/73/432050873.db2.gz GGMWYYQPKSYJBK-CYBMUJFWSA-N 2 1 302.378 3.231 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000179394546 199027762 /nfs/dbraw/zinc/02/77/62/199027762.db2.gz UVUDPSUSLDAZMK-AWEZNQCLSA-N 2 1 321.421 3.130 20 5 DGBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC[NH2+]C3CC3)o2)c1 ZINC000415064428 237045878 /nfs/dbraw/zinc/04/58/78/237045878.db2.gz CNHJXVOGOOESDC-UHFFFAOYSA-N 2 1 315.373 3.087 20 5 DGBDMP C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000121584949 284201560 /nfs/dbraw/zinc/20/15/60/284201560.db2.gz HELRPGQNRJUDJQ-GJZGRUSLSA-N 2 1 305.422 3.367 20 5 DGBDMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000268850120 207017498 /nfs/dbraw/zinc/01/74/98/207017498.db2.gz KDWMLGMPNRMLFQ-MRXNPFEDSA-N 2 1 302.378 3.231 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000470169722 533380782 /nfs/dbraw/zinc/38/07/82/533380782.db2.gz IFJGDWHLZYVMCZ-XBNGYDHASA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000470169722 533380788 /nfs/dbraw/zinc/38/07/88/533380788.db2.gz IFJGDWHLZYVMCZ-XBNGYDHASA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000470169722 533380795 /nfs/dbraw/zinc/38/07/95/533380795.db2.gz IFJGDWHLZYVMCZ-XBNGYDHASA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000468648021 533384264 /nfs/dbraw/zinc/38/42/64/533384264.db2.gz MWOPCPYEUYZAIG-QYRJGMMTSA-N 2 1 315.417 3.215 20 5 DGBDMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601155837 400251025 /nfs/dbraw/zinc/25/10/25/400251025.db2.gz MXXCWUYOZIJZRV-CYBMUJFWSA-N 2 1 314.389 3.064 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901635 400290619 /nfs/dbraw/zinc/29/06/19/400290619.db2.gz ZHNLDBQFDHOCOB-HOCLYGCPSA-N 2 1 317.433 3.367 20 5 DGBDMP Cc1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595901418 400290968 /nfs/dbraw/zinc/29/09/68/400290968.db2.gz VMHHDWHSYWVGJT-KRWDZBQOSA-N 2 1 317.433 3.115 20 5 DGBDMP C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595904638 400292152 /nfs/dbraw/zinc/29/21/52/400292152.db2.gz JJZIYWKNNNIIOZ-IUODEOHRSA-N 2 1 309.385 3.073 20 5 DGBDMP Cc1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492870 400658397 /nfs/dbraw/zinc/65/83/97/400658397.db2.gz FCQGMTXYBLWDQK-WBVHZDCISA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599069311 400948174 /nfs/dbraw/zinc/94/81/74/400948174.db2.gz FZGOJRYROVDBEG-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599069311 400948187 /nfs/dbraw/zinc/94/81/87/400948187.db2.gz FZGOJRYROVDBEG-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347070197 264151246 /nfs/dbraw/zinc/15/12/46/264151246.db2.gz AAVZKIOMDDGLAR-UKRRQHHQSA-N 2 1 313.357 3.204 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000347070197 264151248 /nfs/dbraw/zinc/15/12/48/264151248.db2.gz AAVZKIOMDDGLAR-UKRRQHHQSA-N 2 1 313.357 3.204 20 5 DGBDMP C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000425919915 274225651 /nfs/dbraw/zinc/22/56/51/274225651.db2.gz GSQXEFFDUWZQBO-LRDDRELGSA-N 2 1 305.422 3.105 20 5 DGBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C)CC1 ZINC000271176564 276573291 /nfs/dbraw/zinc/57/32/91/276573291.db2.gz VBNNFHXCALVBIJ-CYBMUJFWSA-N 2 1 323.462 3.149 20 5 DGBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272556 279142301 /nfs/dbraw/zinc/14/23/01/279142301.db2.gz ZDSCLTWEQJVAER-MLGOLLRUSA-N 2 1 305.422 3.280 20 5 DGBDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031110 432263985 /nfs/dbraw/zinc/26/39/85/432263985.db2.gz QJVFIFZJCGUZOK-DZGCQCFKSA-N 2 1 323.824 3.164 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192720833 432405216 /nfs/dbraw/zinc/40/52/16/432405216.db2.gz ZVVNQBWJLWCNMK-KBXCAEBGSA-N 2 1 317.433 3.294 20 5 DGBDMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000178703817 432768807 /nfs/dbraw/zinc/76/88/07/432768807.db2.gz JPSAJGNZIPQIGC-CXAGYDPISA-N 2 1 316.405 3.477 20 5 DGBDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266899114 432795536 /nfs/dbraw/zinc/79/55/36/432795536.db2.gz SZBIQVZPCARKFC-CYBMUJFWSA-N 2 1 303.406 3.262 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680311 432925182 /nfs/dbraw/zinc/92/51/82/432925182.db2.gz YKDGLYRCUKRESL-UKRRQHHQSA-N 2 1 305.422 3.291 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330680311 432925185 /nfs/dbraw/zinc/92/51/85/432925185.db2.gz YKDGLYRCUKRESL-UKRRQHHQSA-N 2 1 305.422 3.291 20 5 DGBDMP Cc1c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000330456663 432910637 /nfs/dbraw/zinc/91/06/37/432910637.db2.gz OAOALBBAARGXHW-UHFFFAOYSA-N 2 1 305.422 3.256 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447515028 433209256 /nfs/dbraw/zinc/20/92/56/433209256.db2.gz JBKYOXVMTFYSKF-SFHVURJKSA-N 2 1 317.433 3.436 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000447546468 433220704 /nfs/dbraw/zinc/22/07/04/433220704.db2.gz WBZVJYBEEINEKY-MRRJBJDNSA-N 2 1 303.406 3.045 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000447546468 433220711 /nfs/dbraw/zinc/22/07/11/433220711.db2.gz WBZVJYBEEINEKY-MRRJBJDNSA-N 2 1 303.406 3.045 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000165302203 292878633 /nfs/dbraw/zinc/87/86/33/292878633.db2.gz MLBCKPXSZKHDMQ-DZGCQCFKSA-N 2 1 305.422 3.286 20 5 DGBDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284228037 433863119 /nfs/dbraw/zinc/86/31/19/433863119.db2.gz UMADDMCKWOHHMO-CYBMUJFWSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423366406 434384037 /nfs/dbraw/zinc/38/40/37/434384037.db2.gz LHCBLRXJSJRABD-QWRGUYRKSA-N 2 1 305.403 3.321 20 5 DGBDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298114 434348012 /nfs/dbraw/zinc/34/80/12/434348012.db2.gz NEWAPAGMFHICLP-HOTGVXAUSA-N 2 1 305.422 3.023 20 5 DGBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423296309 434348112 /nfs/dbraw/zinc/34/81/12/434348112.db2.gz GOJIDNSICPAVLL-USXIJHARSA-N 2 1 319.449 3.413 20 5 DGBDMP [NH3+]C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423507239 434464909 /nfs/dbraw/zinc/46/49/09/434464909.db2.gz PVICZUAWPQZSCC-IRXDYDNUSA-N 2 1 303.406 3.079 20 5 DGBDMP [NH3+]C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423507237 434465883 /nfs/dbraw/zinc/46/58/83/434465883.db2.gz PVICZUAWPQZSCC-DLBZAZTESA-N 2 1 303.406 3.079 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000467516659 435124364 /nfs/dbraw/zinc/12/43/64/435124364.db2.gz NSINSDGOADALAK-SSZFMOIBSA-N 2 1 317.433 3.416 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000467516659 435124366 /nfs/dbraw/zinc/12/43/66/435124366.db2.gz NSINSDGOADALAK-SSZFMOIBSA-N 2 1 317.433 3.416 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000531945193 435128227 /nfs/dbraw/zinc/12/82/27/435128227.db2.gz HHCFOMYSLBDBMG-OAHLLOKOSA-N 2 1 305.422 3.430 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000532475440 435170380 /nfs/dbraw/zinc/17/03/80/435170380.db2.gz FBDDMKIAJLNKAR-AWEZNQCLSA-N 2 1 317.433 3.428 20 5 DGBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536867845 435417540 /nfs/dbraw/zinc/41/75/40/435417540.db2.gz FJIOSDRFIUNMBH-VKJFTORMSA-N 2 1 319.449 3.236 20 5 DGBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187374 435369487 /nfs/dbraw/zinc/36/94/87/435369487.db2.gz CDIFINLTWJYIES-QGZVFWFLSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[N@H+]1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539089488 435538397 /nfs/dbraw/zinc/53/83/97/435538397.db2.gz SLRUGJHDBHQZEF-MAUKXSAKSA-N 2 1 319.449 3.237 20 5 DGBDMP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565219412 315243456 /nfs/dbraw/zinc/24/34/56/315243456.db2.gz VDMZKNGOXQVBFU-QGZVFWFLSA-N 2 1 317.433 3.294 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435447093 528091959 /nfs/dbraw/zinc/09/19/59/528091959.db2.gz NPBDGHARQVVLTB-HNNXBMFYSA-N 2 1 305.422 3.292 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435447093 528091968 /nfs/dbraw/zinc/09/19/68/528091968.db2.gz NPBDGHARQVVLTB-HNNXBMFYSA-N 2 1 305.422 3.292 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000897465719 619130578 /nfs/dbraw/zinc/13/05/78/619130578.db2.gz GZQPHMWGCTZUIR-FMKPAKJESA-N 2 1 305.422 3.018 20 5 DGBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000904406933 619919912 /nfs/dbraw/zinc/91/99/12/619919912.db2.gz XUFDSRIFZCOCJP-CYBMUJFWSA-N 2 1 315.373 3.026 20 5 DGBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923503050 621188441 /nfs/dbraw/zinc/18/84/41/621188441.db2.gz FOOMBXIYOSVTQG-AWEZNQCLSA-N 2 1 323.462 3.258 20 5 DGBDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077668 622792939 /nfs/dbraw/zinc/79/29/39/622792939.db2.gz KVMRILWWSFYVCN-LBPRGKRZSA-N 2 1 309.385 3.259 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871981 627211638 /nfs/dbraw/zinc/21/16/38/627211638.db2.gz GPXDJMXZZZRNBW-RHSMWYFYSA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871981 627211640 /nfs/dbraw/zinc/21/16/40/627211640.db2.gz GPXDJMXZZZRNBW-RHSMWYFYSA-N 2 1 303.406 3.121 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817907887 627958522 /nfs/dbraw/zinc/95/85/22/627958522.db2.gz YNWXZGMCTGSALB-FVQBIDKESA-N 2 1 323.824 3.259 20 5 DGBDMP C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CC[NH3+] ZINC000844902656 630972649 /nfs/dbraw/zinc/97/26/49/630972649.db2.gz URDHPGHJYZCAIR-SMDDNHRTSA-N 2 1 311.813 3.198 20 5 DGBDMP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CC[NH3+] ZINC000844902656 630972652 /nfs/dbraw/zinc/97/26/52/630972652.db2.gz URDHPGHJYZCAIR-SMDDNHRTSA-N 2 1 311.813 3.198 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001660863304 1196537347 /nfs/dbraw/zinc/53/73/47/1196537347.db2.gz AXJHCCPLGVDHHA-UHFFFAOYSA-N 2 1 319.449 3.422 20 5 DGBDMP Cc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001662194086 1196692894 /nfs/dbraw/zinc/69/28/94/1196692894.db2.gz LZSPDZBCVAHZKH-OAHLLOKOSA-N 2 1 305.422 3.257 20 5 DGBDMP CCC(CC)[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169000830 1092480914 /nfs/dbraw/zinc/48/09/14/1092480914.db2.gz YTZXZNVCXWKSHP-SRABZTEZSA-N 2 1 311.470 3.192 20 5 DGBDMP C[N+](C)(C)CCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001224621054 1096249027 /nfs/dbraw/zinc/24/90/27/1096249027.db2.gz JNQIJZZQABVNSN-HSALFYBXSA-N 2 1 317.497 3.010 20 5 DGBDMP C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193251014 1100721187 /nfs/dbraw/zinc/72/11/87/1100721187.db2.gz SYXPGMGODIFBBJ-HOCLYGCPSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001193251014 1100721192 /nfs/dbraw/zinc/72/11/92/1100721192.db2.gz SYXPGMGODIFBBJ-HOCLYGCPSA-N 2 1 317.433 3.337 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173388758 198209317 /nfs/dbraw/zinc/20/93/17/198209317.db2.gz YBVPNIZYXHTFAE-LSDHHAIUSA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173388758 198209319 /nfs/dbraw/zinc/20/93/19/198209319.db2.gz YBVPNIZYXHTFAE-LSDHHAIUSA-N 2 1 305.422 3.366 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173386081 198209334 /nfs/dbraw/zinc/20/93/34/198209334.db2.gz SPWXMMZRMVVXJW-QWHCGFSZSA-N 2 1 302.378 3.087 20 5 DGBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[NH2+]C2CC2)o1 ZINC000415071763 237056551 /nfs/dbraw/zinc/05/65/51/237056551.db2.gz UQVNJTFWUHIRDU-UHFFFAOYSA-N 2 1 315.373 3.087 20 5 DGBDMP C[N@@H+]1CCC[C@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043155 193145766 /nfs/dbraw/zinc/14/57/66/193145766.db2.gz GJCKUFWFWRTEEF-DGDBIBOCSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CCC[C@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043155 193145768 /nfs/dbraw/zinc/14/57/68/193145768.db2.gz GJCKUFWFWRTEEF-DGDBIBOCSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043155 193145770 /nfs/dbraw/zinc/14/57/70/193145770.db2.gz GJCKUFWFWRTEEF-DGDBIBOCSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043155 193145772 /nfs/dbraw/zinc/14/57/72/193145772.db2.gz GJCKUFWFWRTEEF-DGDBIBOCSA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+](C)C(C)C ZINC000468649207 244059651 /nfs/dbraw/zinc/05/96/51/244059651.db2.gz PEVOGASTXUYBFA-RVDMUPIBSA-N 2 1 305.422 3.318 20 5 DGBDMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000268850118 207018340 /nfs/dbraw/zinc/01/83/40/207018340.db2.gz KDWMLGMPNRMLFQ-INIZCTEOSA-N 2 1 302.378 3.231 20 5 DGBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000591668411 400549093 /nfs/dbraw/zinc/54/90/93/400549093.db2.gz MMDKKLUCHFZCFS-LBPRGKRZSA-N 2 1 323.824 3.212 20 5 DGBDMP CC1([NH3+])CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000592431554 400649246 /nfs/dbraw/zinc/64/92/46/400649246.db2.gz HFGWIDSZPSGKRI-UHFFFAOYSA-N 2 1 315.373 3.168 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493985 400658220 /nfs/dbraw/zinc/65/82/20/400658220.db2.gz YFEQXCANLCHRIM-PMPSAXMXSA-N 2 1 317.433 3.367 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965665 400914761 /nfs/dbraw/zinc/91/47/61/400914761.db2.gz OIMKDHOYCBBUOU-DZGCQCFKSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965665 400914764 /nfs/dbraw/zinc/91/47/64/400914764.db2.gz OIMKDHOYCBBUOU-DZGCQCFKSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000359478053 286316833 /nfs/dbraw/zinc/31/68/33/286316833.db2.gz XFXYDVFJAMXUCQ-UHFFFAOYSA-N 2 1 313.401 3.254 20 5 DGBDMP Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000359478053 286316834 /nfs/dbraw/zinc/31/68/34/286316834.db2.gz XFXYDVFJAMXUCQ-UHFFFAOYSA-N 2 1 313.401 3.254 20 5 DGBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346678639 264078333 /nfs/dbraw/zinc/07/83/33/264078333.db2.gz MKOAXQBODSROGM-CHWSQXEVSA-N 2 1 315.373 3.024 20 5 DGBDMP CC1(C)C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423355736 273589010 /nfs/dbraw/zinc/58/90/10/273589010.db2.gz GAIUENVVPZFVLB-WBMJQRKESA-N 2 1 303.406 3.049 20 5 DGBDMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122141915 431815521 /nfs/dbraw/zinc/81/55/21/431815521.db2.gz DEJIKSYGZLCJAN-HNNXBMFYSA-N 2 1 305.422 3.367 20 5 DGBDMP C[NH+](C)CCCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123423802 431864591 /nfs/dbraw/zinc/86/45/91/431864591.db2.gz NKTSDKGFHIBXGY-UHFFFAOYSA-N 2 1 323.412 3.288 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000182850419 281020243 /nfs/dbraw/zinc/02/02/43/281020243.db2.gz WMBOBBCCUBPZRN-IIDMSEBBSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000182850419 281020247 /nfs/dbraw/zinc/02/02/47/281020247.db2.gz WMBOBBCCUBPZRN-IIDMSEBBSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000182850419 281020250 /nfs/dbraw/zinc/02/02/50/281020250.db2.gz WMBOBBCCUBPZRN-IIDMSEBBSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000182850419 281020253 /nfs/dbraw/zinc/02/02/53/281020253.db2.gz WMBOBBCCUBPZRN-IIDMSEBBSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1c(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262511725 432488248 /nfs/dbraw/zinc/48/82/48/432488248.db2.gz NARPQPVKLDKUMD-BBRMVZONSA-N 2 1 305.422 3.304 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000161619539 432789329 /nfs/dbraw/zinc/78/93/29/432789329.db2.gz IQGGXZZWZBAGLJ-AWEZNQCLSA-N 2 1 305.422 3.428 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000161619625 432790209 /nfs/dbraw/zinc/79/02/09/432790209.db2.gz IQGGXZZWZBAGLJ-CQSZACIVSA-N 2 1 305.422 3.428 20 5 DGBDMP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1ccnc1 ZINC000276311582 432794618 /nfs/dbraw/zinc/79/46/18/432794618.db2.gz MLPKTBBKBISCTF-WBMJQRKESA-N 2 1 318.352 3.014 20 5 DGBDMP C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1ccnc1 ZINC000276311582 432794624 /nfs/dbraw/zinc/79/46/24/432794624.db2.gz MLPKTBBKBISCTF-WBMJQRKESA-N 2 1 318.352 3.014 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173002 433436509 /nfs/dbraw/zinc/43/65/09/433436509.db2.gz FYBGVDHPXFQLGT-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176437 433442333 /nfs/dbraw/zinc/44/23/33/433442333.db2.gz IZZIEPYUFDCJHZ-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414978552 433954807 /nfs/dbraw/zinc/95/48/07/433954807.db2.gz MKAYIGZGVFUTGW-NSHDSACASA-N 2 1 305.403 3.150 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363924814 434188834 /nfs/dbraw/zinc/18/88/34/434188834.db2.gz SVOOSLGBIUJELK-CVEARBPZSA-N 2 1 317.433 3.435 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363924814 434188840 /nfs/dbraw/zinc/18/88/40/434188840.db2.gz SVOOSLGBIUJELK-CVEARBPZSA-N 2 1 317.433 3.435 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266084 434322979 /nfs/dbraw/zinc/32/29/79/434322979.db2.gz RUTPLPYMAVPRNA-CJNGLKHVSA-N 2 1 305.422 3.461 20 5 DGBDMP CCC([NH3+])(CC)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423286654 434337846 /nfs/dbraw/zinc/33/78/46/434337846.db2.gz HZWWYNDMSLMNBI-HNNXBMFYSA-N 2 1 305.422 3.424 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459785455 434719487 /nfs/dbraw/zinc/71/94/87/434719487.db2.gz OORKCHZTHVMGHE-SFKKXYGYSA-N 2 1 317.433 3.320 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579971648 435197565 /nfs/dbraw/zinc/19/75/65/435197565.db2.gz GKINFUYQTBJJQU-MRXNPFEDSA-N 2 1 303.406 3.046 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000568461762 435438495 /nfs/dbraw/zinc/43/84/95/435438495.db2.gz XPAZIUIMWGRSRW-KBPBESRZSA-N 2 1 314.389 3.187 20 5 DGBDMP CC[N@H+]1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000539089487 435536916 /nfs/dbraw/zinc/53/69/16/435536916.db2.gz SLRUGJHDBHQZEF-CRAIPNDOSA-N 2 1 319.449 3.237 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538310041 435493135 /nfs/dbraw/zinc/49/31/35/435493135.db2.gz FUPFAERPHOYICV-BRLPQQTGSA-N 2 1 314.389 3.039 20 5 DGBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420157 435823548 /nfs/dbraw/zinc/82/35/48/435823548.db2.gz NOILVXFTIOVVMZ-JSGCOSHPSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420157 435823553 /nfs/dbraw/zinc/82/35/53/435823553.db2.gz NOILVXFTIOVVMZ-JSGCOSHPSA-N 2 1 315.373 3.166 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171141366 534225834 /nfs/dbraw/zinc/22/58/34/534225834.db2.gz VUFBPXBNKHYFDX-ZFWWWQNUSA-N 2 1 305.422 3.286 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000419694699 546804041 /nfs/dbraw/zinc/80/40/41/546804041.db2.gz QNOCMRPWCUOUBW-GJZGRUSLSA-N 2 1 323.824 3.007 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000419694701 546804273 /nfs/dbraw/zinc/80/42/73/546804273.db2.gz QNOCMRPWCUOUBW-LSDHHAIUSA-N 2 1 323.824 3.007 20 5 DGBDMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902414839 619638054 /nfs/dbraw/zinc/63/80/54/619638054.db2.gz DJXTYRJEAVHOKE-LLVKDONJSA-N 2 1 317.414 3.465 20 5 DGBDMP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000903106322 619717834 /nfs/dbraw/zinc/71/78/34/619717834.db2.gz HDWZWWUHRBRHCZ-AEGPPILISA-N 2 1 321.421 3.127 20 5 DGBDMP O=[N+]([O-])c1cccc(C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000903884407 619828130 /nfs/dbraw/zinc/82/81/30/619828130.db2.gz ZBHKSJUBZGHSBF-MQVJKMGUSA-N 2 1 315.417 3.090 20 5 DGBDMP C[N@H+]1CCCC[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858245729 621167911 /nfs/dbraw/zinc/16/79/11/621167911.db2.gz WPUYMJGAWCDPRR-GFCCVEGCSA-N 2 1 311.813 3.070 20 5 DGBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839183480 621344334 /nfs/dbraw/zinc/34/43/34/621344334.db2.gz WWRFMGDQURBIBY-LBPRGKRZSA-N 2 1 311.813 3.070 20 5 DGBDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000762557210 622083532 /nfs/dbraw/zinc/08/35/32/622083532.db2.gz VSPQGVPNTBIXFG-OAQYLSRUSA-N 2 1 320.436 3.149 20 5 DGBDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000762557210 622083534 /nfs/dbraw/zinc/08/35/34/622083534.db2.gz VSPQGVPNTBIXFG-OAQYLSRUSA-N 2 1 320.436 3.149 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705556 622158792 /nfs/dbraw/zinc/15/87/92/622158792.db2.gz CMBGDASQZFUYAM-GUYCJALGSA-N 2 1 305.422 3.353 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877516522 623919856 /nfs/dbraw/zinc/91/98/56/623919856.db2.gz BHVXKZPGTCQDCA-XYPWUTKMSA-N 2 1 317.433 3.269 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877516522 623919862 /nfs/dbraw/zinc/91/98/62/623919862.db2.gz BHVXKZPGTCQDCA-XYPWUTKMSA-N 2 1 317.433 3.269 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877516522 623919863 /nfs/dbraw/zinc/91/98/63/623919863.db2.gz BHVXKZPGTCQDCA-XYPWUTKMSA-N 2 1 317.433 3.269 20 5 DGBDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809735975 626943605 /nfs/dbraw/zinc/94/36/05/626943605.db2.gz YOUJEGUZQVSRGJ-CYBMUJFWSA-N 2 1 311.813 3.068 20 5 DGBDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809735975 626943606 /nfs/dbraw/zinc/94/36/06/626943606.db2.gz YOUJEGUZQVSRGJ-CYBMUJFWSA-N 2 1 311.813 3.068 20 5 DGBDMP CCC1([NH+]2CCC2)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000886710816 627196125 /nfs/dbraw/zinc/19/61/25/627196125.db2.gz GTVVGBULAJOUMF-UHFFFAOYSA-N 2 1 317.433 3.088 20 5 DGBDMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004687 630394435 /nfs/dbraw/zinc/39/44/35/630394435.db2.gz XCUPITPEQFECIZ-NWDGAFQWSA-N 2 1 311.813 3.068 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000842472970 630539727 /nfs/dbraw/zinc/53/97/27/630539727.db2.gz NPRHCIFTZUSAPL-INIZCTEOSA-N 2 1 323.824 3.212 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000843124850 630616219 /nfs/dbraw/zinc/61/62/19/630616219.db2.gz JGVOZCFRLPVTBF-ZIAGYGMSSA-N 2 1 323.824 3.070 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125601 630616390 /nfs/dbraw/zinc/61/63/90/630616390.db2.gz YNTZGUWENLZJOP-CHWSQXEVSA-N 2 1 323.824 3.070 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734922 1191989827 /nfs/dbraw/zinc/98/98/27/1191989827.db2.gz SZTLKAOYJZAUKM-CRAIPNDOSA-N 2 1 317.433 3.163 20 5 DGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCc1ccc([N+](=O)[O-])cc1 ZINC001473750026 1183797028 /nfs/dbraw/zinc/79/70/28/1183797028.db2.gz SUYVOBLUDJRBLK-UHFFFAOYSA-N 2 1 319.449 3.335 20 5 DGBDMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001561054836 1189427900 /nfs/dbraw/zinc/42/79/00/1189427900.db2.gz OEDKCUFDBQUMFE-LBPRGKRZSA-N 2 1 313.829 3.458 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001575967108 1191521418 /nfs/dbraw/zinc/52/14/18/1191521418.db2.gz VAWZUILTZOWFLR-HOCLYGCPSA-N 2 1 319.449 3.284 20 5 DGBDMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576380730 1191578082 /nfs/dbraw/zinc/57/80/82/1191578082.db2.gz XPNMAWPCGKBOHG-HZPDHXFCSA-N 2 1 315.373 3.070 20 5 DGBDMP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001576389073 1191580261 /nfs/dbraw/zinc/58/02/61/1191580261.db2.gz FNISXLKIISNXND-GLQYFDAESA-N 2 1 323.824 3.114 20 5 DGBDMP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001576389072 1191581080 /nfs/dbraw/zinc/58/10/80/1191581080.db2.gz FNISXLKIISNXND-DFBGVHRSSA-N 2 1 323.824 3.114 20 5 DGBDMP Cc1c(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369702 1196475856 /nfs/dbraw/zinc/47/58/56/1196475856.db2.gz JSWMYLVUOSDNAR-YOEHRIQHSA-N 2 1 319.449 3.455 20 5 DGBDMP Cc1c(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369702 1196475857 /nfs/dbraw/zinc/47/58/57/1196475857.db2.gz JSWMYLVUOSDNAR-YOEHRIQHSA-N 2 1 319.449 3.455 20 5 DGBDMP COc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC001661652164 1196627812 /nfs/dbraw/zinc/62/78/12/1196627812.db2.gz XFUKXMNWGBMPAB-UHFFFAOYSA-N 2 1 323.437 3.202 20 5 DGBDMP CCC(CC)[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169000829 1092480766 /nfs/dbraw/zinc/48/07/66/1092480766.db2.gz YTZXZNVCXWKSHP-OTRWWLKZSA-N 2 1 311.470 3.192 20 5 DGBDMP C[C@@H](C[N+](C)(C)C)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826917 1096295656 /nfs/dbraw/zinc/29/56/56/1096295656.db2.gz STRKTNGDXSPNHC-PKOBYXMFSA-N 2 1 305.486 3.010 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328411687 1103937512 /nfs/dbraw/zinc/93/75/12/1103937512.db2.gz HLIDGXQYIDZBPV-ZZXKWVIFSA-N 2 1 315.417 3.074 20 5 DGBDMP CC(C)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC001246581846 1104604814 /nfs/dbraw/zinc/60/48/14/1104604814.db2.gz BGHUUJSGXJGJRG-WBVHZDCISA-N 2 1 319.449 3.378 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650099 1104647824 /nfs/dbraw/zinc/64/78/24/1104647824.db2.gz GUTUZAMHGNTQSS-QAPCUYQASA-N 2 1 317.433 3.134 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650099 1104647828 /nfs/dbraw/zinc/64/78/28/1104647828.db2.gz GUTUZAMHGNTQSS-QAPCUYQASA-N 2 1 317.433 3.134 20 5 DGBDMP CC(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC001308028086 1111368130 /nfs/dbraw/zinc/36/81/30/1111368130.db2.gz PZDCLFPWDITGFU-UHFFFAOYSA-N 2 1 319.449 3.395 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152428049 186071626 /nfs/dbraw/zinc/07/16/26/186071626.db2.gz CRBMGMQMYRQPCZ-UONOGXRCSA-N 2 1 303.406 3.038 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130793990 432029279 /nfs/dbraw/zinc/02/92/79/432029279.db2.gz ZUCGUSQLFQIFAC-UHFFFAOYSA-N 2 1 322.796 3.275 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130793990 432029281 /nfs/dbraw/zinc/02/92/81/432029281.db2.gz ZUCGUSQLFQIFAC-UHFFFAOYSA-N 2 1 322.796 3.275 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173386067 198209342 /nfs/dbraw/zinc/20/93/42/198209342.db2.gz SPWXMMZRMVVXJW-OLZOCXBDSA-N 2 1 302.378 3.087 20 5 DGBDMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507168 201065428 /nfs/dbraw/zinc/06/54/28/201065428.db2.gz HAAIYCMPDPDLNL-DYVFJYSZSA-N 2 1 303.406 3.120 20 5 DGBDMP CC[NH+]1CCC([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170900 244151824 /nfs/dbraw/zinc/15/18/24/244151824.db2.gz CBFBODVBWSJQIX-QINSGFPZSA-N 2 1 317.433 3.414 20 5 DGBDMP CC[NH+]1CCC([N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170900 244151830 /nfs/dbraw/zinc/15/18/30/244151830.db2.gz CBFBODVBWSJQIX-QINSGFPZSA-N 2 1 317.433 3.414 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000119682697 284148702 /nfs/dbraw/zinc/14/87/02/284148702.db2.gz PTOOJWYACSQSDL-CYBMUJFWSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119682697 284148705 /nfs/dbraw/zinc/14/87/05/284148705.db2.gz PTOOJWYACSQSDL-CYBMUJFWSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268893956 432146495 /nfs/dbraw/zinc/14/64/95/432146495.db2.gz VFXVHLLLEVGEBK-CYBMUJFWSA-N 2 1 302.378 3.149 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000269006183 432149902 /nfs/dbraw/zinc/14/99/02/432149902.db2.gz QNERRHXCWASOBY-YCPHGPKFSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000269006183 432149905 /nfs/dbraw/zinc/14/99/05/432149905.db2.gz QNERRHXCWASOBY-YCPHGPKFSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000269006183 432149907 /nfs/dbraw/zinc/14/99/07/432149907.db2.gz QNERRHXCWASOBY-YCPHGPKFSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000269006183 432149912 /nfs/dbraw/zinc/14/99/12/432149912.db2.gz QNERRHXCWASOBY-YCPHGPKFSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000269006183 432149897 /nfs/dbraw/zinc/14/98/97/432149897.db2.gz QNERRHXCWASOBY-YCPHGPKFSA-N 2 1 303.406 3.072 20 5 DGBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157445085 197187921 /nfs/dbraw/zinc/18/79/21/197187921.db2.gz QSLKRCAYVAOMSH-KRWDZBQOSA-N 2 1 317.433 3.088 20 5 DGBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157445085 197187923 /nfs/dbraw/zinc/18/79/23/197187923.db2.gz QSLKRCAYVAOMSH-KRWDZBQOSA-N 2 1 317.433 3.088 20 5 DGBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000343597514 254166386 /nfs/dbraw/zinc/16/63/86/254166386.db2.gz CEVIHCJQTQKSKU-TWGQIWQCSA-N 2 1 303.406 3.026 20 5 DGBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000343597514 254166387 /nfs/dbraw/zinc/16/63/87/254166387.db2.gz CEVIHCJQTQKSKU-TWGQIWQCSA-N 2 1 303.406 3.026 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468650665 533385189 /nfs/dbraw/zinc/38/51/89/533385189.db2.gz VFKCSVCJGLXUJR-HHFPWCGMSA-N 2 1 303.406 3.070 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901636 400290825 /nfs/dbraw/zinc/29/08/25/400290825.db2.gz ZHNLDBQFDHOCOB-ZBFHGGJFSA-N 2 1 317.433 3.367 20 5 DGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275679 400505537 /nfs/dbraw/zinc/50/55/37/400505537.db2.gz XCVSMHBQRRWCTQ-BHYGNILZSA-N 2 1 317.433 3.038 20 5 DGBDMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580659 400542583 /nfs/dbraw/zinc/54/25/83/400542583.db2.gz JCXHKCWEVYYQEF-GHMZBOCLSA-N 2 1 305.403 3.321 20 5 DGBDMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580661 400542960 /nfs/dbraw/zinc/54/29/60/400542960.db2.gz JCXHKCWEVYYQEF-QWRGUYRKSA-N 2 1 305.403 3.321 20 5 DGBDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433826 400648633 /nfs/dbraw/zinc/64/86/33/400648633.db2.gz ZADUROJDAPLGEH-DLBZAZTESA-N 2 1 317.433 3.115 20 5 DGBDMP C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593316290 400816974 /nfs/dbraw/zinc/81/69/74/400816974.db2.gz OROGWYVSHCXZBH-LTVAEWHBSA-N 2 1 303.406 3.057 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420305408 292297082 /nfs/dbraw/zinc/29/70/82/292297082.db2.gz KDOVYMVVEDRNHP-MGBSGCIJSA-N 2 1 303.406 3.023 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000269006181 432151882 /nfs/dbraw/zinc/15/18/82/432151882.db2.gz QNERRHXCWASOBY-IJEWVQPXSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000269006181 432151887 /nfs/dbraw/zinc/15/18/87/432151887.db2.gz QNERRHXCWASOBY-IJEWVQPXSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000269006181 432151894 /nfs/dbraw/zinc/15/18/94/432151894.db2.gz QNERRHXCWASOBY-IJEWVQPXSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000269006181 432151896 /nfs/dbraw/zinc/15/18/96/432151896.db2.gz QNERRHXCWASOBY-IJEWVQPXSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000269006181 432151899 /nfs/dbraw/zinc/15/18/99/432151899.db2.gz QNERRHXCWASOBY-IJEWVQPXSA-N 2 1 303.406 3.072 20 5 DGBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000246841627 432171568 /nfs/dbraw/zinc/17/15/68/432171568.db2.gz CFJAEFSWEFTVPU-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000246841627 432171574 /nfs/dbraw/zinc/17/15/74/432171574.db2.gz CFJAEFSWEFTVPU-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000151116964 432221255 /nfs/dbraw/zinc/22/12/55/432221255.db2.gz NORPLVBVRLWTDO-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000151116964 432221258 /nfs/dbraw/zinc/22/12/58/432221258.db2.gz NORPLVBVRLWTDO-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297787689 227569991 /nfs/dbraw/zinc/56/99/91/227569991.db2.gz WPYHVMFUYQQAFG-UHFFFAOYSA-N 2 1 323.824 3.007 20 5 DGBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346642585 264071359 /nfs/dbraw/zinc/07/13/59/264071359.db2.gz MQQNPTJDMCYPIC-OCCSQVGLSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346655330 264073514 /nfs/dbraw/zinc/07/35/14/264073514.db2.gz FZHZFZKHIAWYTO-OLZOCXBDSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346665661 264076515 /nfs/dbraw/zinc/07/65/15/264076515.db2.gz DGDVSDZDPSOOOE-CHWSQXEVSA-N 2 1 315.373 3.024 20 5 DGBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000368482562 271162863 /nfs/dbraw/zinc/16/28/63/271162863.db2.gz KWXNSKQKZWIBJA-UHFFFAOYSA-N 2 1 321.396 3.042 20 5 DGBDMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369203439 271250983 /nfs/dbraw/zinc/25/09/83/271250983.db2.gz LEJUSIACYUKMMY-UHFFFAOYSA-N 2 1 317.433 3.211 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000271353484 432378950 /nfs/dbraw/zinc/37/89/50/432378950.db2.gz YUSOYPDUHVAJPW-KEYYUXOJSA-N 2 1 314.389 3.435 20 5 DGBDMP Cc1c(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262511732 432490325 /nfs/dbraw/zinc/49/03/25/432490325.db2.gz NARPQPVKLDKUMD-CJNGLKHVSA-N 2 1 305.422 3.304 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178255306 432712164 /nfs/dbraw/zinc/71/21/64/432712164.db2.gz GPVCDEQHGVCBIS-CQSZACIVSA-N 2 1 317.433 3.428 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000178410204 432731839 /nfs/dbraw/zinc/73/18/39/432731839.db2.gz YKNVBGCWCBEWQY-OAHLLOKOSA-N 2 1 305.422 3.430 20 5 DGBDMP CC[NH+]1CCC(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097973 432934858 /nfs/dbraw/zinc/93/48/58/432934858.db2.gz OBOMYTSQEJUKJH-KRWDZBQOSA-N 2 1 317.433 3.391 20 5 DGBDMP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097973 432934861 /nfs/dbraw/zinc/93/48/61/432934861.db2.gz OBOMYTSQEJUKJH-KRWDZBQOSA-N 2 1 317.433 3.391 20 5 DGBDMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000453396435 433153129 /nfs/dbraw/zinc/15/31/29/433153129.db2.gz ITPCNWSOELNPDA-AWEZNQCLSA-N 2 1 305.422 3.428 20 5 DGBDMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414188363 433451616 /nfs/dbraw/zinc/45/16/16/433451616.db2.gz QPAAMTNWANWQAR-YOEHRIQHSA-N 2 1 305.422 3.367 20 5 DGBDMP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000414359599 433566874 /nfs/dbraw/zinc/56/68/74/433566874.db2.gz OULIKTREHWIYIA-AEFFLSMTSA-N 2 1 317.433 3.134 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000449063940 433719493 /nfs/dbraw/zinc/71/94/93/433719493.db2.gz RZZYNCDMMXLGKR-JKSUJKDBSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000414957600 433934030 /nfs/dbraw/zinc/93/40/30/433934030.db2.gz WCMJIUYWBQPMDO-STQMWFEESA-N 2 1 315.373 3.085 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000414956169 293894081 /nfs/dbraw/zinc/89/40/81/293894081.db2.gz UZAHKCVTSRQRSD-OCCSQVGLSA-N 2 1 315.373 3.085 20 5 DGBDMP C[C@H]1CC2(C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378455 434715330 /nfs/dbraw/zinc/71/53/30/434715330.db2.gz NELBVDQFWQWUDS-VOKGJARPSA-N 2 1 315.417 3.072 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459784780 434719864 /nfs/dbraw/zinc/71/98/64/434719864.db2.gz OORKCHZTHVMGHE-QZFKAFNDSA-N 2 1 317.433 3.320 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000568461763 435438932 /nfs/dbraw/zinc/43/89/32/435438932.db2.gz XPAZIUIMWGRSRW-KGLIPLIRSA-N 2 1 314.389 3.187 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818647 435571146 /nfs/dbraw/zinc/57/11/46/435571146.db2.gz CAVPKYIISJLVPQ-GPXGYGPYSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818647 435571152 /nfs/dbraw/zinc/57/11/52/435571152.db2.gz CAVPKYIISJLVPQ-GPXGYGPYSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818647 435571158 /nfs/dbraw/zinc/57/11/58/435571158.db2.gz CAVPKYIISJLVPQ-GPXGYGPYSA-N 2 1 317.433 3.413 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432787619 527500521 /nfs/dbraw/zinc/50/05/21/527500521.db2.gz TWNPDJSLWYJONS-KSVUCXBSSA-N 2 1 317.433 3.414 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432787619 527500523 /nfs/dbraw/zinc/50/05/23/527500523.db2.gz TWNPDJSLWYJONS-KSVUCXBSSA-N 2 1 317.433 3.414 20 5 DGBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903131635 619723326 /nfs/dbraw/zinc/72/33/26/619723326.db2.gz JMNJLDWBQUDPTI-WYQXTGKHSA-N 2 1 315.417 3.403 20 5 DGBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903131635 619723327 /nfs/dbraw/zinc/72/33/27/619723327.db2.gz JMNJLDWBQUDPTI-WYQXTGKHSA-N 2 1 315.417 3.403 20 5 DGBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903727503 619805051 /nfs/dbraw/zinc/80/50/51/619805051.db2.gz TZWCINJQDUUAJX-INIZCTEOSA-N 2 1 305.422 3.195 20 5 DGBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887016 619828827 /nfs/dbraw/zinc/82/88/27/619828827.db2.gz WPHCZPXGPAXCLL-ALOPSCKCSA-N 2 1 317.433 3.336 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959902 619839996 /nfs/dbraw/zinc/83/99/96/619839996.db2.gz RMTUDJUTMNKJCV-YEODSOHDSA-N 2 1 315.417 3.074 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959902 619840000 /nfs/dbraw/zinc/84/00/00/619840000.db2.gz RMTUDJUTMNKJCV-YEODSOHDSA-N 2 1 315.417 3.074 20 5 DGBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000904406934 619920121 /nfs/dbraw/zinc/92/01/21/619920121.db2.gz XUFDSRIFZCOCJP-ZDUSSCGKSA-N 2 1 315.373 3.026 20 5 DGBDMP C[N@@H+](CCOCC[NH3+])Cc1c2ccccc2cc2ccccc21 ZINC000863652534 621693821 /nfs/dbraw/zinc/69/38/21/621693821.db2.gz RQJMLXBKQGTBMF-UHFFFAOYSA-N 2 1 308.425 3.400 20 5 DGBDMP Cc1c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000757645073 621730747 /nfs/dbraw/zinc/73/07/47/621730747.db2.gz YUQMELIDHKHGJW-QGZVFWFLSA-N 2 1 317.433 3.067 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000873008740 623016927 /nfs/dbraw/zinc/01/69/27/623016927.db2.gz CGNQKXPKIVQBNR-UHFFFAOYSA-N 2 1 305.422 3.174 20 5 DGBDMP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873044621 623024814 /nfs/dbraw/zinc/02/48/14/623024814.db2.gz SQZOQVKSOLKFBZ-HNNXBMFYSA-N 2 1 305.422 3.113 20 5 DGBDMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873044621 623024820 /nfs/dbraw/zinc/02/48/20/623024820.db2.gz SQZOQVKSOLKFBZ-HNNXBMFYSA-N 2 1 305.422 3.113 20 5 DGBDMP Cc1[nH]c(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000886661124 627182930 /nfs/dbraw/zinc/18/29/30/627182930.db2.gz NARCNBRTMFYZFD-UHFFFAOYSA-N 2 1 314.389 3.314 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001560251607 1189299656 /nfs/dbraw/zinc/29/96/56/1189299656.db2.gz VKBHCZQTULSSCK-UHFFFAOYSA-N 2 1 319.449 3.423 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC001575967106 1191520988 /nfs/dbraw/zinc/52/09/88/1191520988.db2.gz VAWZUILTZOWFLR-GOEBONIOSA-N 2 1 319.449 3.284 20 5 DGBDMP C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001169054570 1092512252 /nfs/dbraw/zinc/51/22/52/1092512252.db2.gz MRINJYZXCNORNE-QAPCUYQASA-N 2 1 323.481 3.161 20 5 DGBDMP C[N+](C)(C)CCCO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224620735 1096248447 /nfs/dbraw/zinc/24/84/47/1096248447.db2.gz CGBRQKXQYDCIRH-MRXNPFEDSA-N 2 1 311.877 3.027 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001173217096 1097368451 /nfs/dbraw/zinc/36/84/51/1097368451.db2.gz LLKMKRAQCQLBEO-HOTGVXAUSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460465 1104547619 /nfs/dbraw/zinc/54/76/19/1104547619.db2.gz IJFIQBCCRWVXKH-KBXCAEBGSA-N 2 1 317.433 3.038 20 5 DGBDMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246501008 1104566739 /nfs/dbraw/zinc/56/67/39/1104566739.db2.gz JVIBUBZKERQUMW-AWEZNQCLSA-N 2 1 307.438 3.413 20 5 DGBDMP CC(C)[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC001246595269 1104612870 /nfs/dbraw/zinc/61/28/70/1104612870.db2.gz SZQVCVVLEPHNIN-NVXWUHKLSA-N 2 1 319.449 3.378 20 5 DGBDMP [NH3+]CCC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254571672 1106106209 /nfs/dbraw/zinc/10/62/09/1106106209.db2.gz ADENEOGGXUMGOQ-SFHVURJKSA-N 2 1 317.433 3.046 20 5 DGBDMP CC(C)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409397 432057142 /nfs/dbraw/zinc/05/71/42/432057142.db2.gz DRLSXUWVQXXODM-INIZCTEOSA-N 2 1 305.422 3.290 20 5 DGBDMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409397 432057147 /nfs/dbraw/zinc/05/71/47/432057147.db2.gz DRLSXUWVQXXODM-INIZCTEOSA-N 2 1 305.422 3.290 20 5 DGBDMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409397 432057149 /nfs/dbraw/zinc/05/71/49/432057149.db2.gz DRLSXUWVQXXODM-INIZCTEOSA-N 2 1 305.422 3.290 20 5 DGBDMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433126146 238147613 /nfs/dbraw/zinc/14/76/13/238147613.db2.gz NGNBBVPSWQTCFV-INIZCTEOSA-N 2 1 319.449 3.495 20 5 DGBDMP CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271883968 209293838 /nfs/dbraw/zinc/29/38/38/209293838.db2.gz QGBBAJQYIWWUEV-KRWDZBQOSA-N 2 1 303.406 3.288 20 5 DGBDMP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078058 240007248 /nfs/dbraw/zinc/00/72/48/240007248.db2.gz UAYIHTJJZUOTTE-CRAIPNDOSA-N 2 1 319.449 3.236 20 5 DGBDMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121212149 284191273 /nfs/dbraw/zinc/19/12/73/284191273.db2.gz IUWMMRAFSUEMDI-RHSMWYFYSA-N 2 1 305.422 3.367 20 5 DGBDMP CC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178631 284352628 /nfs/dbraw/zinc/35/26/28/284352628.db2.gz LQKFVYKUJFROMZ-XBNGYDHASA-N 2 1 317.433 3.272 20 5 DGBDMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178631 284352631 /nfs/dbraw/zinc/35/26/31/284352631.db2.gz LQKFVYKUJFROMZ-XBNGYDHASA-N 2 1 317.433 3.272 20 5 DGBDMP CC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178631 284352632 /nfs/dbraw/zinc/35/26/32/284352632.db2.gz LQKFVYKUJFROMZ-XBNGYDHASA-N 2 1 317.433 3.272 20 5 DGBDMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178631 284352634 /nfs/dbraw/zinc/35/26/34/284352634.db2.gz LQKFVYKUJFROMZ-XBNGYDHASA-N 2 1 317.433 3.272 20 5 DGBDMP CC(C)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000345159818 254335032 /nfs/dbraw/zinc/33/50/32/254335032.db2.gz FVRSBCHNMAJDQG-UHFFFAOYSA-N 2 1 303.406 3.070 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000344792495 254305990 /nfs/dbraw/zinc/30/59/90/254305990.db2.gz NAMUWOIUEYAAMT-IDJPSDCMSA-N 2 1 315.417 3.072 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120709975 195222218 /nfs/dbraw/zinc/22/22/18/195222218.db2.gz BPPZXLIVMOGZTH-AWEZNQCLSA-N 2 1 305.422 3.428 20 5 DGBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000589195028 400274066 /nfs/dbraw/zinc/27/40/66/400274066.db2.gz BZLDSUGYAGBBHO-CVEARBPZSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000589196989 400274137 /nfs/dbraw/zinc/27/41/37/400274137.db2.gz RJUPVHPMYQJIOL-YFHOEESVSA-N 2 1 317.433 3.416 20 5 DGBDMP CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000589196989 400274139 /nfs/dbraw/zinc/27/41/39/400274139.db2.gz RJUPVHPMYQJIOL-YFHOEESVSA-N 2 1 317.433 3.416 20 5 DGBDMP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CCC[NH3+] ZINC000595905621 400292511 /nfs/dbraw/zinc/29/25/11/400292511.db2.gz WEIXGTOIGVQDGC-MLGOLLRUSA-N 2 1 309.385 3.073 20 5 DGBDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094294 400315731 /nfs/dbraw/zinc/31/57/31/400315731.db2.gz JRYFJXFPWMMJBU-GDBMZVCRSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094294 400315735 /nfs/dbraw/zinc/31/57/35/400315735.db2.gz JRYFJXFPWMMJBU-GDBMZVCRSA-N 2 1 317.433 3.367 20 5 DGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275681 400505329 /nfs/dbraw/zinc/50/53/29/400505329.db2.gz XCVSMHBQRRWCTQ-USXIJHARSA-N 2 1 317.433 3.038 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582688 400542813 /nfs/dbraw/zinc/54/28/13/400542813.db2.gz UFTRWLMOPQWBQS-DZGCQCFKSA-N 2 1 303.406 3.229 20 5 DGBDMP CC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427657 400649279 /nfs/dbraw/zinc/64/92/79/400649279.db2.gz NNCJEYKMITWTQM-HOCLYGCPSA-N 2 1 305.422 3.277 20 5 DGBDMP CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427657 400649280 /nfs/dbraw/zinc/64/92/80/400649280.db2.gz NNCJEYKMITWTQM-HOCLYGCPSA-N 2 1 305.422 3.277 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965666 400914875 /nfs/dbraw/zinc/91/48/75/400914875.db2.gz OIMKDHOYCBBUOU-HIFRSBDPSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965666 400914878 /nfs/dbraw/zinc/91/48/78/400914878.db2.gz OIMKDHOYCBBUOU-HIFRSBDPSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245535333 292296638 /nfs/dbraw/zinc/29/66/38/292296638.db2.gz WMBOBBCCUBPZRN-RLFYNMQTSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245535333 292296640 /nfs/dbraw/zinc/29/66/40/292296640.db2.gz WMBOBBCCUBPZRN-RLFYNMQTSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245535333 292296642 /nfs/dbraw/zinc/29/66/42/292296642.db2.gz WMBOBBCCUBPZRN-RLFYNMQTSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245535333 292296643 /nfs/dbraw/zinc/29/66/43/292296643.db2.gz WMBOBBCCUBPZRN-RLFYNMQTSA-N 2 1 317.433 3.380 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023867 264142070 /nfs/dbraw/zinc/14/20/70/264142070.db2.gz QFSDMDVTVPKFBW-DZGCQCFKSA-N 2 1 305.422 3.277 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023867 264142073 /nfs/dbraw/zinc/14/20/73/264142073.db2.gz QFSDMDVTVPKFBW-DZGCQCFKSA-N 2 1 305.422 3.277 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262039978 275035563 /nfs/dbraw/zinc/03/55/63/275035563.db2.gz BROXDEXLVOZNEI-OAHLLOKOSA-N 2 1 323.824 3.212 20 5 DGBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166117 278229213 /nfs/dbraw/zinc/22/92/13/278229213.db2.gz WWNFJNXMXHBWHS-BLLLJJGKSA-N 2 1 305.422 3.247 20 5 DGBDMP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165754 431885400 /nfs/dbraw/zinc/88/54/00/431885400.db2.gz DTUQAIBMLGUGGV-PBHICJAKSA-N 2 1 305.422 3.367 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125943937 431938450 /nfs/dbraw/zinc/93/84/50/431938450.db2.gz CICTXUUEQORAOA-LSDHHAIUSA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125943937 431938453 /nfs/dbraw/zinc/93/84/53/431938453.db2.gz CICTXUUEQORAOA-LSDHHAIUSA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125943937 431938456 /nfs/dbraw/zinc/93/84/56/431938456.db2.gz CICTXUUEQORAOA-LSDHHAIUSA-N 2 1 305.422 3.366 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292846619 281020458 /nfs/dbraw/zinc/02/04/58/281020458.db2.gz BNPHMHWQIHRJRJ-CRAIPNDOSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292846619 281020461 /nfs/dbraw/zinc/02/04/61/281020461.db2.gz BNPHMHWQIHRJRJ-CRAIPNDOSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292846619 281020464 /nfs/dbraw/zinc/02/04/64/281020464.db2.gz BNPHMHWQIHRJRJ-CRAIPNDOSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292846619 281020469 /nfs/dbraw/zinc/02/04/69/281020469.db2.gz BNPHMHWQIHRJRJ-CRAIPNDOSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420311372 281021475 /nfs/dbraw/zinc/02/14/75/281021475.db2.gz QZASBHDZOLQNEK-AWEZNQCLSA-N 2 1 303.406 3.040 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271046027 432319687 /nfs/dbraw/zinc/31/96/87/432319687.db2.gz VNOGDHMXXNMWBJ-UHFFFAOYSA-N 2 1 322.796 3.275 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271046027 432319691 /nfs/dbraw/zinc/31/96/91/432319691.db2.gz VNOGDHMXXNMWBJ-UHFFFAOYSA-N 2 1 322.796 3.275 20 5 DGBDMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192589523 432391201 /nfs/dbraw/zinc/39/12/01/432391201.db2.gz VUMQZFWWQDDNLF-MRXNPFEDSA-N 2 1 305.422 3.150 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000161619012 432790514 /nfs/dbraw/zinc/79/05/14/432790514.db2.gz NWGCBKZEUQGQCU-AWEZNQCLSA-N 2 1 305.422 3.428 20 5 DGBDMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000420297318 433148637 /nfs/dbraw/zinc/14/86/37/433148637.db2.gz CXBMYCYXGODFTN-HNNXBMFYSA-N 2 1 305.422 3.195 20 5 DGBDMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574191 433100996 /nfs/dbraw/zinc/10/09/96/433100996.db2.gz UAKAMMGDWAIGKK-SFXFJHKKSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574191 433101002 /nfs/dbraw/zinc/10/10/02/433101002.db2.gz UAKAMMGDWAIGKK-SFXFJHKKSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574191 433101012 /nfs/dbraw/zinc/10/10/12/433101012.db2.gz UAKAMMGDWAIGKK-SFXFJHKKSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574191 433101015 /nfs/dbraw/zinc/10/10/15/433101015.db2.gz UAKAMMGDWAIGKK-SFXFJHKKSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574191 433101023 /nfs/dbraw/zinc/10/10/23/433101023.db2.gz UAKAMMGDWAIGKK-SFXFJHKKSA-N 2 1 315.417 3.024 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327195 433166264 /nfs/dbraw/zinc/16/62/64/433166264.db2.gz KYOZZGLIXVGLBV-ARFHVFGLSA-N 2 1 317.433 3.286 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449081461 433724016 /nfs/dbraw/zinc/72/40/16/433724016.db2.gz FMCNIHAOWQBLSI-BZUAXINKSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000449081461 433724026 /nfs/dbraw/zinc/72/40/26/433724026.db2.gz FMCNIHAOWQBLSI-BZUAXINKSA-N 2 1 319.449 3.236 20 5 DGBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)o2)c1 ZINC000414899664 433904272 /nfs/dbraw/zinc/90/42/72/433904272.db2.gz CIQCEZAHKLZEKW-CQSZACIVSA-N 2 1 315.373 3.087 20 5 DGBDMP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414895280 433904916 /nfs/dbraw/zinc/90/49/16/433904916.db2.gz WPMQLSZPNDXWPL-HNNXBMFYSA-N 2 1 317.414 3.150 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000344792499 433884559 /nfs/dbraw/zinc/88/45/59/433884559.db2.gz NAMUWOIUEYAAMT-IHWMJMDHSA-N 2 1 315.417 3.072 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000414956171 293894094 /nfs/dbraw/zinc/89/40/94/293894094.db2.gz UZAHKCVTSRQRSD-TZMCWYRMSA-N 2 1 315.373 3.085 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414960952 293895499 /nfs/dbraw/zinc/89/54/99/293895499.db2.gz AYGLCPKPGOFWIR-MRXNPFEDSA-N 2 1 305.422 3.196 20 5 DGBDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322737228 434264180 /nfs/dbraw/zinc/26/41/80/434264180.db2.gz XKBMCBZBYZBBSM-QWHCGFSZSA-N 2 1 314.389 3.346 20 5 DGBDMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423366407 434385152 /nfs/dbraw/zinc/38/51/52/434385152.db2.gz LHCBLRXJSJRABD-WDEREUQCSA-N 2 1 305.403 3.321 20 5 DGBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331973 434358337 /nfs/dbraw/zinc/35/83/37/434358337.db2.gz WSFYCZAKVHKGCX-KSSFIOAISA-N 2 1 317.433 3.294 20 5 DGBDMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219260 434673263 /nfs/dbraw/zinc/67/32/63/434673263.db2.gz DJBYXVRCGKFCQT-XJKSGUPXSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219260 434673270 /nfs/dbraw/zinc/67/32/70/434673270.db2.gz DJBYXVRCGKFCQT-XJKSGUPXSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219260 434673275 /nfs/dbraw/zinc/67/32/75/434673275.db2.gz DJBYXVRCGKFCQT-XJKSGUPXSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219260 434673282 /nfs/dbraw/zinc/67/32/82/434673282.db2.gz DJBYXVRCGKFCQT-XJKSGUPXSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219260 434673287 /nfs/dbraw/zinc/67/32/87/434673287.db2.gz DJBYXVRCGKFCQT-XJKSGUPXSA-N 2 1 305.422 3.208 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777183 434716287 /nfs/dbraw/zinc/71/62/87/434716287.db2.gz KGDGDXQBKDZCOM-HOTGVXAUSA-N 2 1 319.449 3.237 20 5 DGBDMP C[NH+](C)CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000579977576 435197427 /nfs/dbraw/zinc/19/74/27/435197427.db2.gz GRJQOKGKPNACLS-INIZCTEOSA-N 2 1 317.433 3.294 20 5 DGBDMP C[N@H+]1CCC[C@@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363791 435157338 /nfs/dbraw/zinc/15/73/38/435157338.db2.gz NKUJGQYPMXWKQL-IUODEOHRSA-N 2 1 323.824 3.164 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539089490 435537308 /nfs/dbraw/zinc/53/73/08/435537308.db2.gz SLRUGJHDBHQZEF-YJBOKZPZSA-N 2 1 319.449 3.237 20 5 DGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[NH2+]C3CC3)o2)cc1 ZINC000415065428 534881433 /nfs/dbraw/zinc/88/14/33/534881433.db2.gz GHJPWSXQYCKXPW-UHFFFAOYSA-N 2 1 315.373 3.087 20 5 DGBDMP CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616138 528783454 /nfs/dbraw/zinc/78/34/54/528783454.db2.gz RKBAZXOYWKERCT-CQSZACIVSA-N 2 1 311.813 3.212 20 5 DGBDMP CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616138 528783458 /nfs/dbraw/zinc/78/34/58/528783458.db2.gz RKBAZXOYWKERCT-CQSZACIVSA-N 2 1 311.813 3.212 20 5 DGBDMP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000903182545 619731638 /nfs/dbraw/zinc/73/16/38/619731638.db2.gz DMZJJTGFMVHGGW-CYBMUJFWSA-N 2 1 321.421 3.128 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959901 619840033 /nfs/dbraw/zinc/84/00/33/619840033.db2.gz RMTUDJUTMNKJCV-SUQGKYDKSA-N 2 1 315.417 3.074 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959901 619840036 /nfs/dbraw/zinc/84/00/36/619840036.db2.gz RMTUDJUTMNKJCV-SUQGKYDKSA-N 2 1 315.417 3.074 20 5 DGBDMP Cc1c(C[NH2+]CCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC001620699453 1192069948 /nfs/dbraw/zinc/06/99/48/1192069948.db2.gz XUGUSFGIXHYXBU-UHFFFAOYSA-N 2 1 305.422 3.115 20 5 DGBDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001352111435 1180297426 /nfs/dbraw/zinc/29/74/26/1180297426.db2.gz GIQWYUZLZPHGFK-BBWFWOEESA-N 2 1 317.433 3.065 20 5 DGBDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001352111437 1180298102 /nfs/dbraw/zinc/29/81/02/1180298102.db2.gz GIQWYUZLZPHGFK-GVDBMIGSSA-N 2 1 317.433 3.065 20 5 DGBDMP Cc1c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001461429646 1182813161 /nfs/dbraw/zinc/81/31/61/1182813161.db2.gz GZPVDQOJJJCBAL-CQSZACIVSA-N 2 1 305.422 3.257 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001621388157 1193836975 /nfs/dbraw/zinc/83/69/75/1193836975.db2.gz ZEIGOLDYJDFQOX-OAHLLOKOSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCCC1(C)C ZINC001621388157 1193836976 /nfs/dbraw/zinc/83/69/76/1193836976.db2.gz ZEIGOLDYJDFQOX-OAHLLOKOSA-N 2 1 319.449 3.380 20 5 DGBDMP Cc1c(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001621570326 1193860450 /nfs/dbraw/zinc/86/04/50/1193860450.db2.gz QYRJOGKJTWLVCO-UHFFFAOYSA-N 2 1 305.422 3.256 20 5 DGBDMP Cc1c(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001621570326 1193860451 /nfs/dbraw/zinc/86/04/51/1193860451.db2.gz QYRJOGKJTWLVCO-UHFFFAOYSA-N 2 1 305.422 3.256 20 5 DGBDMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065895 1083873179 /nfs/dbraw/zinc/87/31/79/1083873179.db2.gz RDVOLVZAVZIKIE-QAPCUYQASA-N 2 1 319.449 3.190 20 5 DGBDMP C[C@H](C[N+](C)(C)C)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826916 1096295215 /nfs/dbraw/zinc/29/52/15/1096295215.db2.gz STRKTNGDXSPNHC-MJGOQNOKSA-N 2 1 305.486 3.010 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246609711 1104624563 /nfs/dbraw/zinc/62/45/63/1104624563.db2.gz JFPYAMXIXPRMCM-OAHLLOKOSA-N 2 1 317.433 3.134 20 5 DGBDMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131222199 432033864 /nfs/dbraw/zinc/03/38/64/432033864.db2.gz XLMTVUSQLPIVFL-CQSZACIVSA-N 2 1 305.422 3.366 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415064726 237050200 /nfs/dbraw/zinc/05/02/00/237050200.db2.gz LHVDYNNMDCYNTE-CJNGLKHVSA-N 2 1 305.422 3.023 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429264874 238045754 /nfs/dbraw/zinc/04/57/54/238045754.db2.gz OBKXFXKKYSKZGL-UHFFFAOYSA-N 2 1 316.405 3.405 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130737 240030474 /nfs/dbraw/zinc/03/04/74/240030474.db2.gz HOWRWEOZUUSZKD-CVEARBPZSA-N 2 1 319.449 3.236 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000192627103 285144008 /nfs/dbraw/zinc/14/40/08/285144008.db2.gz VTLRKMHEJGQLDT-SFHVURJKSA-N 2 1 315.417 3.189 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000069754277 400341558 /nfs/dbraw/zinc/34/15/58/400341558.db2.gz QHKMUKXQMIMJAC-UHFFFAOYSA-N 2 1 316.405 3.403 20 5 DGBDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602575627 400501746 /nfs/dbraw/zinc/50/17/46/400501746.db2.gz TWFGCRRXQIXNCQ-KRWDZBQOSA-N 2 1 319.449 3.095 20 5 DGBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000591658930 400548887 /nfs/dbraw/zinc/54/88/87/400548887.db2.gz NERUIIXHZAUGCS-LBPRGKRZSA-N 2 1 323.824 3.212 20 5 DGBDMP Cc1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492864 400658320 /nfs/dbraw/zinc/65/83/20/400658320.db2.gz FCQGMTXYBLWDQK-DOTOQJQBSA-N 2 1 317.433 3.115 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593315570 400817244 /nfs/dbraw/zinc/81/72/44/400817244.db2.gz LXVBLUMWFRHDJV-YJBOKZPZSA-N 2 1 317.433 3.279 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593315570 400817246 /nfs/dbraw/zinc/81/72/46/400817246.db2.gz LXVBLUMWFRHDJV-YJBOKZPZSA-N 2 1 317.433 3.279 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246868140 432174467 /nfs/dbraw/zinc/17/44/67/432174467.db2.gz CICTXUUEQORAOA-HUUCEWRRSA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246868140 432174470 /nfs/dbraw/zinc/17/44/70/432174470.db2.gz CICTXUUEQORAOA-HUUCEWRRSA-N 2 1 305.422 3.366 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000247037737 432194525 /nfs/dbraw/zinc/19/45/25/432194525.db2.gz LPNLLLOYIKHTRS-RRFJBIMHSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302196063 230154697 /nfs/dbraw/zinc/15/46/97/230154697.db2.gz SRVMAGFKSYCHSB-CYBMUJFWSA-N 2 1 314.389 3.205 20 5 DGBDMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000346275367 264000715 /nfs/dbraw/zinc/00/07/15/264000715.db2.gz JTDHLSUEHOSCNK-UHFFFAOYSA-N 2 1 302.378 3.010 20 5 DGBDMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000346275367 264000716 /nfs/dbraw/zinc/00/07/16/264000716.db2.gz JTDHLSUEHOSCNK-UHFFFAOYSA-N 2 1 302.378 3.010 20 5 DGBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346655332 264073552 /nfs/dbraw/zinc/07/35/52/264073552.db2.gz FZHZFZKHIAWYTO-QWHCGFSZSA-N 2 1 315.373 3.024 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134939 276052892 /nfs/dbraw/zinc/05/28/92/276052892.db2.gz WNHBPHSGSVNJOW-DZGCQCFKSA-N 2 1 305.422 3.135 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134939 276052893 /nfs/dbraw/zinc/05/28/93/276052893.db2.gz WNHBPHSGSVNJOW-DZGCQCFKSA-N 2 1 305.422 3.135 20 5 DGBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331977 276221721 /nfs/dbraw/zinc/22/17/21/276221721.db2.gz WSFYCZAKVHKGCX-RDTXWAMCSA-N 2 1 317.433 3.294 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000122839276 431846491 /nfs/dbraw/zinc/84/64/91/431846491.db2.gz SNAUZOHTZMPHAH-ZDUSSCGKSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152182989 432311435 /nfs/dbraw/zinc/31/14/35/432311435.db2.gz FJMZBBAFNUWZNM-NSHDSACASA-N 2 1 322.796 3.179 20 5 DGBDMP CC(C)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192971394 432435396 /nfs/dbraw/zinc/43/53/96/432435396.db2.gz YMFWXACQYJPCFE-SFHVURJKSA-N 2 1 317.433 3.435 20 5 DGBDMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192971394 432435400 /nfs/dbraw/zinc/43/54/00/432435400.db2.gz YMFWXACQYJPCFE-SFHVURJKSA-N 2 1 317.433 3.435 20 5 DGBDMP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1ccnc1 ZINC000276311569 432795103 /nfs/dbraw/zinc/79/51/03/432795103.db2.gz MLPKTBBKBISCTF-MLGOLLRUSA-N 2 1 318.352 3.014 20 5 DGBDMP C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1ccnc1 ZINC000276311569 432795106 /nfs/dbraw/zinc/79/51/06/432795106.db2.gz MLPKTBBKBISCTF-MLGOLLRUSA-N 2 1 318.352 3.014 20 5 DGBDMP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC([NH3+])C1 ZINC000414781728 433829671 /nfs/dbraw/zinc/82/96/71/433829671.db2.gz WNMZOIBZCQZBIR-UHFFFAOYSA-N 2 1 317.414 3.245 20 5 DGBDMP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC([NH3+])C1 ZINC000414781728 433829677 /nfs/dbraw/zinc/82/96/77/433829677.db2.gz WNMZOIBZCQZBIR-UHFFFAOYSA-N 2 1 317.414 3.245 20 5 DGBDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414785885 433836798 /nfs/dbraw/zinc/83/67/98/433836798.db2.gz ABCRLNADZNFXSH-CQSZACIVSA-N 2 1 319.430 3.396 20 5 DGBDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414796734 433845251 /nfs/dbraw/zinc/84/52/51/433845251.db2.gz OOPNPQDWEDABEK-OAHLLOKOSA-N 2 1 319.430 3.396 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357079889 433858762 /nfs/dbraw/zinc/85/87/62/433858762.db2.gz LRODSLBZVPJWBW-CYBMUJFWSA-N 2 1 323.824 3.070 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414831240 433867569 /nfs/dbraw/zinc/86/75/69/433867569.db2.gz CDFQTHRALLAIHD-YOEHRIQHSA-N 2 1 319.449 3.413 20 5 DGBDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349414548 434710463 /nfs/dbraw/zinc/71/04/63/434710463.db2.gz HBTFUMADEXPHES-UHFFFAOYSA-N 2 1 305.422 3.211 20 5 DGBDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349414548 434710470 /nfs/dbraw/zinc/71/04/70/434710470.db2.gz HBTFUMADEXPHES-UHFFFAOYSA-N 2 1 305.422 3.211 20 5 DGBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244804 435070532 /nfs/dbraw/zinc/07/05/32/435070532.db2.gz LMKXCHDECLXHCG-GXTWGEPZSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244804 435070535 /nfs/dbraw/zinc/07/05/35/435070535.db2.gz LMKXCHDECLXHCG-GXTWGEPZSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000477917905 435286466 /nfs/dbraw/zinc/28/64/66/435286466.db2.gz BCBNSOBIEUTPID-AWEZNQCLSA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000537972715 435478877 /nfs/dbraw/zinc/47/88/77/435478877.db2.gz YPWCRSZIWIWJPC-CQSZACIVSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([C@@H](C)NCC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000538278051 435489524 /nfs/dbraw/zinc/48/95/24/435489524.db2.gz JGEWMASVDSHLAB-ZBFHGGJFSA-N 2 1 305.422 3.428 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000538278051 435489531 /nfs/dbraw/zinc/48/95/31/435489531.db2.gz JGEWMASVDSHLAB-ZBFHGGJFSA-N 2 1 305.422 3.428 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000574899338 316013623 /nfs/dbraw/zinc/01/36/23/316013623.db2.gz HPTAYGKZNKSGQH-AWEZNQCLSA-N 2 1 305.422 3.428 20 5 DGBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435390399 534691394 /nfs/dbraw/zinc/69/13/94/534691394.db2.gz OYYGKZIBHLXSCZ-GFCCVEGCSA-N 2 1 317.414 3.104 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134941 528094346 /nfs/dbraw/zinc/09/43/46/528094346.db2.gz WNHBPHSGSVNJOW-UKRRQHHQSA-N 2 1 305.422 3.135 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134941 528094352 /nfs/dbraw/zinc/09/43/52/528094352.db2.gz WNHBPHSGSVNJOW-UKRRQHHQSA-N 2 1 305.422 3.135 20 5 DGBDMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482515327 535590449 /nfs/dbraw/zinc/59/04/49/535590449.db2.gz WPMLEERQFSNVQW-YOEHRIQHSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903081625 619712607 /nfs/dbraw/zinc/71/26/07/619712607.db2.gz WAPLRXXOBDBDTO-JATKITJMSA-N 2 1 315.417 3.403 20 5 DGBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903081625 619712608 /nfs/dbraw/zinc/71/26/08/619712608.db2.gz WAPLRXXOBDBDTO-JATKITJMSA-N 2 1 315.417 3.403 20 5 DGBDMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000903814179 619814501 /nfs/dbraw/zinc/81/45/01/619814501.db2.gz LAEOLIMKJJAIEL-INIZCTEOSA-N 2 1 303.406 3.078 20 5 DGBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839180083 621343439 /nfs/dbraw/zinc/34/34/39/621343439.db2.gz CFKOWEOHYYOZON-GFCCVEGCSA-N 2 1 311.813 3.070 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872032663 622763579 /nfs/dbraw/zinc/76/35/79/622763579.db2.gz XONMARZHAWHQKJ-RYUDHWBXSA-N 2 1 320.368 3.226 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000872036666 622766482 /nfs/dbraw/zinc/76/64/82/622766482.db2.gz UTSJMGJMNWRAOP-STQMWFEESA-N 2 1 323.462 3.309 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000872036666 622766488 /nfs/dbraw/zinc/76/64/88/622766488.db2.gz UTSJMGJMNWRAOP-STQMWFEESA-N 2 1 323.462 3.309 20 5 DGBDMP C[N@@H+](CCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000835062492 629841507 /nfs/dbraw/zinc/84/15/07/629841507.db2.gz OXFXOPYVTSBXBM-UHFFFAOYSA-N 2 1 311.813 3.212 20 5 DGBDMP [NH3+]C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000843065105 630610552 /nfs/dbraw/zinc/61/05/52/630610552.db2.gz IZDXTFMULJXDLL-KRWDZBQOSA-N 2 1 306.409 3.153 20 5 DGBDMP [NH3+]C[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000843065105 630610555 /nfs/dbraw/zinc/61/05/55/630610555.db2.gz IZDXTFMULJXDLL-KRWDZBQOSA-N 2 1 306.409 3.153 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000843124847 630616488 /nfs/dbraw/zinc/61/64/88/630616488.db2.gz JGVOZCFRLPVTBF-KBPBESRZSA-N 2 1 323.824 3.070 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC001648882461 1081953563 /nfs/dbraw/zinc/95/35/63/1081953563.db2.gz OYUGSQWAXQIVOH-CQSZACIVSA-N 2 1 319.449 3.423 20 5 DGBDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205281357 1091163553 /nfs/dbraw/zinc/16/35/53/1091163553.db2.gz SZLAANWWSYMQLR-FQEVSTJZSA-N 2 1 320.440 3.486 20 5 DGBDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1F ZINC001206188212 1091526647 /nfs/dbraw/zinc/52/66/47/1091526647.db2.gz UUQGDYPODMOERF-DLBZAZTESA-N 2 1 324.403 3.044 20 5 DGBDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293146 1095507567 /nfs/dbraw/zinc/50/75/67/1095507567.db2.gz KMRXMAAHABXJKH-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293146 1095507576 /nfs/dbraw/zinc/50/75/76/1095507576.db2.gz KMRXMAAHABXJKH-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP C[N+](C)(C)CCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224621694 1096248418 /nfs/dbraw/zinc/24/84/18/1096248418.db2.gz ZNKRGKJWEXFJIU-KRWDZBQOSA-N 2 1 311.877 3.027 20 5 DGBDMP C[N+](C)(C)CCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001224621056 1096248768 /nfs/dbraw/zinc/24/87/68/1096248768.db2.gz JNQIJZZQABVNSN-VAMGGRTRSA-N 2 1 317.497 3.010 20 5 DGBDMP CC(C)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC001246581843 1104603634 /nfs/dbraw/zinc/60/36/34/1104603634.db2.gz BGHUUJSGXJGJRG-NVXWUHKLSA-N 2 1 319.449 3.378 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000179394537 199028328 /nfs/dbraw/zinc/02/83/28/199028328.db2.gz UVUDPSUSLDAZMK-CQSZACIVSA-N 2 1 321.421 3.130 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414831234 236893948 /nfs/dbraw/zinc/89/39/48/236893948.db2.gz CDFQTHRALLAIHD-RHSMWYFYSA-N 2 1 319.449 3.413 20 5 DGBDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507156 201065753 /nfs/dbraw/zinc/06/57/53/201065753.db2.gz HAAIYCMPDPDLNL-SUMWQHHRSA-N 2 1 303.406 3.120 20 5 DGBDMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121212035 284191320 /nfs/dbraw/zinc/19/13/20/284191320.db2.gz IUWMMRAFSUEMDI-PBHICJAKSA-N 2 1 305.422 3.367 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000470169721 533407139 /nfs/dbraw/zinc/40/71/39/533407139.db2.gz IFJGDWHLZYVMCZ-OBHPCNEJSA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000470169721 533407144 /nfs/dbraw/zinc/40/71/44/533407144.db2.gz IFJGDWHLZYVMCZ-OBHPCNEJSA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000470169721 533407146 /nfs/dbraw/zinc/40/71/46/533407146.db2.gz IFJGDWHLZYVMCZ-OBHPCNEJSA-N 2 1 317.433 3.272 20 5 DGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058027 400305959 /nfs/dbraw/zinc/30/59/59/400305959.db2.gz BFNCBNJDGRMVPI-INIZCTEOSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596058027 400305967 /nfs/dbraw/zinc/30/59/67/400305967.db2.gz BFNCBNJDGRMVPI-INIZCTEOSA-N 2 1 317.433 3.115 20 5 DGBDMP C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593316288 400817481 /nfs/dbraw/zinc/81/74/81/400817481.db2.gz OROGWYVSHCXZBH-IRHPPKKSSA-N 2 1 303.406 3.057 20 5 DGBDMP C[N@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965844 400915359 /nfs/dbraw/zinc/91/53/59/400915359.db2.gz NVDFVVQEPBAWNO-INIZCTEOSA-N 2 1 319.449 3.380 20 5 DGBDMP C[N@H+]1CCCC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599142300 400974426 /nfs/dbraw/zinc/97/44/26/400974426.db2.gz SVWQUNQMHVPXGX-CYBMUJFWSA-N 2 1 314.389 3.287 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023870 264142129 /nfs/dbraw/zinc/14/21/29/264142129.db2.gz QFSDMDVTVPKFBW-ZFWWWQNUSA-N 2 1 305.422 3.277 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023870 264142130 /nfs/dbraw/zinc/14/21/30/264142130.db2.gz QFSDMDVTVPKFBW-ZFWWWQNUSA-N 2 1 305.422 3.277 20 5 DGBDMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1[NH3+] ZINC000347043365 264146316 /nfs/dbraw/zinc/14/63/16/264146316.db2.gz MEKYLUPSNFMDDB-MLGOLLRUSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1[NH3+] ZINC000347043365 264146318 /nfs/dbraw/zinc/14/63/18/264146318.db2.gz MEKYLUPSNFMDDB-MLGOLLRUSA-N 2 1 315.373 3.024 20 5 DGBDMP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC[NH2+]CC1 ZINC000347106405 264157558 /nfs/dbraw/zinc/15/75/58/264157558.db2.gz LSHRXIJKLWIQEO-UHFFFAOYSA-N 2 1 315.373 3.039 20 5 DGBDMP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC[NH2+]CC1 ZINC000347106405 264157559 /nfs/dbraw/zinc/15/75/59/264157559.db2.gz LSHRXIJKLWIQEO-UHFFFAOYSA-N 2 1 315.373 3.039 20 5 DGBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC[NH2+]CC1 ZINC000347168112 264168843 /nfs/dbraw/zinc/16/88/43/264168843.db2.gz LNIWJVITOTVBTH-UHFFFAOYSA-N 2 1 315.373 3.039 20 5 DGBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC[NH2+]CC1 ZINC000347168112 264168846 /nfs/dbraw/zinc/16/88/46/264168846.db2.gz LNIWJVITOTVBTH-UHFFFAOYSA-N 2 1 315.373 3.039 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182805589 432231035 /nfs/dbraw/zinc/23/10/35/432231035.db2.gz SZFOKUSJQROTGM-HZPDHXFCSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182805589 432231037 /nfs/dbraw/zinc/23/10/37/432231037.db2.gz SZFOKUSJQROTGM-HZPDHXFCSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152183069 432311018 /nfs/dbraw/zinc/31/10/18/432311018.db2.gz FJMZBBAFNUWZNM-LLVKDONJSA-N 2 1 322.796 3.179 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000192925253 432428819 /nfs/dbraw/zinc/42/88/19/432428819.db2.gz LZLWXMGWYYOGLI-HNNXBMFYSA-N 2 1 305.422 3.430 20 5 DGBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000245742770 432860525 /nfs/dbraw/zinc/86/05/25/432860525.db2.gz GJCKUFWFWRTEEF-SLLSNFPASA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000245742770 432860526 /nfs/dbraw/zinc/86/05/26/432860526.db2.gz GJCKUFWFWRTEEF-SLLSNFPASA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000245742770 432860528 /nfs/dbraw/zinc/86/05/28/432860528.db2.gz GJCKUFWFWRTEEF-SLLSNFPASA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000245742770 432860530 /nfs/dbraw/zinc/86/05/30/432860530.db2.gz GJCKUFWFWRTEEF-SLLSNFPASA-N 2 1 315.417 3.024 20 5 DGBDMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414188359 433450214 /nfs/dbraw/zinc/45/02/14/433450214.db2.gz QPAAMTNWANWQAR-RHSMWYFYSA-N 2 1 305.422 3.367 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000449063938 433718579 /nfs/dbraw/zinc/71/85/79/433718579.db2.gz RZZYNCDMMXLGKR-HOTGVXAUSA-N 2 1 319.449 3.380 20 5 DGBDMP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414799768 433844714 /nfs/dbraw/zinc/84/47/14/433844714.db2.gz HCUNFWLRIOEPIZ-UHFFFAOYSA-N 2 1 305.403 3.150 20 5 DGBDMP CC(C)c1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414901278 433909755 /nfs/dbraw/zinc/90/97/55/433909755.db2.gz JMHNIDYJMAYDSJ-QGZVFWFLSA-N 2 1 305.422 3.198 20 5 DGBDMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000322820728 434263545 /nfs/dbraw/zinc/26/35/45/434263545.db2.gz CEKNZHNLJBETCJ-BTFYYFJDSA-N 2 1 303.406 3.261 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000423177239 434265161 /nfs/dbraw/zinc/26/51/61/434265161.db2.gz IOWKLBAALKZXKJ-ZDUSSCGKSA-N 2 1 321.421 3.306 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261113 434320406 /nfs/dbraw/zinc/32/04/06/434320406.db2.gz JBRLDCMBIMZVMB-BBRMVZONSA-N 2 1 305.422 3.461 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261116 434325708 /nfs/dbraw/zinc/32/57/08/434325708.db2.gz JBRLDCMBIMZVMB-XJKSGUPXSA-N 2 1 305.422 3.461 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219258 434674213 /nfs/dbraw/zinc/67/42/13/434674213.db2.gz DJBYXVRCGKFCQT-CJNGLKHVSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219258 434674219 /nfs/dbraw/zinc/67/42/19/434674219.db2.gz DJBYXVRCGKFCQT-CJNGLKHVSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219258 434674228 /nfs/dbraw/zinc/67/42/28/434674228.db2.gz DJBYXVRCGKFCQT-CJNGLKHVSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219258 434674237 /nfs/dbraw/zinc/67/42/37/434674237.db2.gz DJBYXVRCGKFCQT-CJNGLKHVSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219258 434674245 /nfs/dbraw/zinc/67/42/45/434674245.db2.gz DJBYXVRCGKFCQT-CJNGLKHVSA-N 2 1 305.422 3.208 20 5 DGBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459789226 434720928 /nfs/dbraw/zinc/72/09/28/434720928.db2.gz QNFHTMJZDSIAQY-LBPRGKRZSA-N 2 1 311.813 3.070 20 5 DGBDMP CCC[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240065 435152011 /nfs/dbraw/zinc/15/20/11/435152011.db2.gz GNVDNJUIJYJBFP-YOEHRIQHSA-N 2 1 305.422 3.367 20 5 DGBDMP CCC[C@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240065 435152015 /nfs/dbraw/zinc/15/20/15/435152015.db2.gz GNVDNJUIJYJBFP-YOEHRIQHSA-N 2 1 305.422 3.367 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767981 435471233 /nfs/dbraw/zinc/47/12/33/435471233.db2.gz CHLCGRAGNWDABH-PBHICJAKSA-N 2 1 317.433 3.292 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767981 435471236 /nfs/dbraw/zinc/47/12/36/435471236.db2.gz CHLCGRAGNWDABH-PBHICJAKSA-N 2 1 317.433 3.292 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000516024374 435510748 /nfs/dbraw/zinc/51/07/48/435510748.db2.gz SFQJFXJLDXFEMD-XUWXXGDYSA-N 2 1 317.433 3.435 20 5 DGBDMP C[C@@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000576359694 316122127 /nfs/dbraw/zinc/12/21/27/316122127.db2.gz JUGWVVCOFXXTSV-YOEHRIQHSA-N 2 1 317.433 3.436 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000576742578 316162134 /nfs/dbraw/zinc/16/21/34/316162134.db2.gz VKUCKXQHLJBEFH-KAKTVLCNSA-N 2 1 317.433 3.318 20 5 DGBDMP [NH3+]C1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000906510538 620101907 /nfs/dbraw/zinc/10/19/07/620101907.db2.gz LHXWJSGLOXQKFR-UHFFFAOYSA-N 2 1 321.764 3.088 20 5 DGBDMP Cc1c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000757645072 621730760 /nfs/dbraw/zinc/73/07/60/621730760.db2.gz YUQMELIDHKHGJW-KRWDZBQOSA-N 2 1 317.433 3.067 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705555 622158817 /nfs/dbraw/zinc/15/88/17/622158817.db2.gz CMBGDASQZFUYAM-DYVFJYSZSA-N 2 1 305.422 3.353 20 5 DGBDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000878864525 624375604 /nfs/dbraw/zinc/37/56/04/624375604.db2.gz FOPPQBIWJWGUEX-UHFFFAOYSA-N 2 1 323.824 3.166 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871980 627211629 /nfs/dbraw/zinc/21/16/29/627211629.db2.gz GPXDJMXZZZRNBW-PBHICJAKSA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871980 627211631 /nfs/dbraw/zinc/21/16/31/627211631.db2.gz GPXDJMXZZZRNBW-PBHICJAKSA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871982 627211843 /nfs/dbraw/zinc/21/18/43/627211843.db2.gz GPXDJMXZZZRNBW-WMLDXEAASA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871982 627211844 /nfs/dbraw/zinc/21/18/44/627211844.db2.gz GPXDJMXZZZRNBW-WMLDXEAASA-N 2 1 303.406 3.121 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125825 630616395 /nfs/dbraw/zinc/61/63/95/630616395.db2.gz JHOFBBMNXKYEDL-QWHCGFSZSA-N 2 1 323.824 3.070 20 5 DGBDMP C[NH2+]CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000262010313 685122526 /nfs/dbraw/zinc/12/25/26/685122526.db2.gz SYYWSGQLHZIAIU-UHFFFAOYSA-N 2 1 311.813 3.070 20 5 DGBDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001352111439 1180297737 /nfs/dbraw/zinc/29/77/37/1180297737.db2.gz GIQWYUZLZPHGFK-ULQDDVLXSA-N 2 1 317.433 3.065 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001658192966 1196223201 /nfs/dbraw/zinc/22/32/01/1196223201.db2.gz IATYEFVNZRNPGI-GOSISDBHSA-N 2 1 317.433 3.129 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001658192966 1196223202 /nfs/dbraw/zinc/22/32/02/1196223202.db2.gz IATYEFVNZRNPGI-GOSISDBHSA-N 2 1 317.433 3.129 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001658192966 1196223205 /nfs/dbraw/zinc/22/32/05/1196223205.db2.gz IATYEFVNZRNPGI-GOSISDBHSA-N 2 1 317.433 3.129 20 5 DGBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998299 1092479670 /nfs/dbraw/zinc/47/96/70/1092479670.db2.gz LBXNWYXCEWCRMJ-BRSBDYLESA-N 2 1 323.481 3.194 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246604616 1104619618 /nfs/dbraw/zinc/61/96/18/1104619618.db2.gz HEMIFNNKUBMUFM-QAPCUYQASA-N 2 1 317.433 3.134 20 5 DGBDMP [NH3+]CCC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254571671 1106106284 /nfs/dbraw/zinc/10/62/84/1106106284.db2.gz ADENEOGGXUMGOQ-GOSISDBHSA-N 2 1 317.433 3.046 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427767 186071586 /nfs/dbraw/zinc/07/15/86/186071586.db2.gz CRBMGMQMYRQPCZ-KGLIPLIRSA-N 2 1 303.406 3.038 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000152513031 186081067 /nfs/dbraw/zinc/08/10/67/186081067.db2.gz AWXBNBHLLUTLKU-CYBMUJFWSA-N 2 1 323.437 3.232 20 5 DGBDMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507181 201066710 /nfs/dbraw/zinc/06/67/10/201066710.db2.gz HAAIYCMPDPDLNL-CXAGYDPISA-N 2 1 303.406 3.120 20 5 DGBDMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329134 240134348 /nfs/dbraw/zinc/13/43/48/240134348.db2.gz MNQIRIVSXAITGF-LSDHHAIUSA-N 2 1 307.438 3.236 20 5 DGBDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329134 240134352 /nfs/dbraw/zinc/13/43/52/240134352.db2.gz MNQIRIVSXAITGF-LSDHHAIUSA-N 2 1 307.438 3.236 20 5 DGBDMP CC[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093634133 193277607 /nfs/dbraw/zinc/27/76/07/193277607.db2.gz ANXCURSCQVLFHS-UHFFFAOYSA-N 2 1 311.813 3.070 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000119683473 195017257 /nfs/dbraw/zinc/01/72/57/195017257.db2.gz MPMABYVQDMVLQC-ZDUSSCGKSA-N 2 1 303.406 3.181 20 5 DGBDMP CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000589196987 400273697 /nfs/dbraw/zinc/27/36/97/400273697.db2.gz RJUPVHPMYQJIOL-JXMROGBWSA-N 2 1 317.433 3.416 20 5 DGBDMP CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000589196987 400273703 /nfs/dbraw/zinc/27/37/03/400273703.db2.gz RJUPVHPMYQJIOL-JXMROGBWSA-N 2 1 317.433 3.416 20 5 DGBDMP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582669 400542404 /nfs/dbraw/zinc/54/24/04/400542404.db2.gz SSEBEHDJMKUTEI-HOCLYGCPSA-N 2 1 303.406 3.310 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582694 400543107 /nfs/dbraw/zinc/54/31/07/400543107.db2.gz UFTRWLMOPQWBQS-ZFWWWQNUSA-N 2 1 303.406 3.229 20 5 DGBDMP CC[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427655 400647749 /nfs/dbraw/zinc/64/77/49/400647749.db2.gz NNCJEYKMITWTQM-GDBMZVCRSA-N 2 1 305.422 3.277 20 5 DGBDMP CC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427655 400647755 /nfs/dbraw/zinc/64/77/55/400647755.db2.gz NNCJEYKMITWTQM-GDBMZVCRSA-N 2 1 305.422 3.277 20 5 DGBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000594490629 401078649 /nfs/dbraw/zinc/07/86/49/401078649.db2.gz NYTMXBPBURBBKS-MRXNPFEDSA-N 2 1 303.406 3.048 20 5 DGBDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247111867 432203535 /nfs/dbraw/zinc/20/35/35/432203535.db2.gz TVCNZAULTDSVFP-WMLDXEAASA-N 2 1 319.449 3.236 20 5 DGBDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247111867 432203536 /nfs/dbraw/zinc/20/35/36/432203536.db2.gz TVCNZAULTDSVFP-WMLDXEAASA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130908335 196121557 /nfs/dbraw/zinc/12/15/57/196121557.db2.gz FEGDMFVNDJFYJC-UHFFFAOYSA-N 2 1 322.796 3.275 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000130908335 196121560 /nfs/dbraw/zinc/12/15/60/196121560.db2.gz FEGDMFVNDJFYJC-UHFFFAOYSA-N 2 1 322.796 3.275 20 5 DGBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346678640 264078794 /nfs/dbraw/zinc/07/87/94/264078794.db2.gz MKOAXQBODSROGM-OLZOCXBDSA-N 2 1 315.373 3.024 20 5 DGBDMP CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347017045 264141170 /nfs/dbraw/zinc/14/11/70/264141170.db2.gz DGPKIYOTFJMDON-ALCCZGGFSA-N 2 1 303.406 3.072 20 5 DGBDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347113228 264158998 /nfs/dbraw/zinc/15/89/98/264158998.db2.gz QZPMPJGLYFBQCK-ZDUSSCGKSA-N 2 1 315.373 3.026 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178701358 432768100 /nfs/dbraw/zinc/76/81/00/432768100.db2.gz LSPCPDLRUGYTAX-TZMCWYRMSA-N 2 1 316.405 3.395 20 5 DGBDMP Cc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000290525304 433078562 /nfs/dbraw/zinc/07/85/62/433078562.db2.gz QGFFLMLQKRUYCE-KRWDZBQOSA-N 2 1 317.433 3.067 20 5 DGBDMP C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000425919911 433374787 /nfs/dbraw/zinc/37/47/87/433374787.db2.gz GSQXEFFDUWZQBO-BLLLJJGKSA-N 2 1 305.422 3.105 20 5 DGBDMP O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000414359602 433567721 /nfs/dbraw/zinc/56/77/21/433567721.db2.gz OULIKTREHWIYIA-WMZOPIPTSA-N 2 1 317.433 3.134 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000449063937 433718819 /nfs/dbraw/zinc/71/88/19/433718819.db2.gz RZZYNCDMMXLGKR-CVEARBPZSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000449064844 433720847 /nfs/dbraw/zinc/72/08/47/433720847.db2.gz RDVKBEZUJFTIJG-HNNXBMFYSA-N 2 1 319.449 3.380 20 5 DGBDMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840055 433871153 /nfs/dbraw/zinc/87/11/53/433871153.db2.gz MDGKQGKTHXTWNZ-DHINHOHASA-N 2 1 303.406 3.105 20 5 DGBDMP CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]CC1 ZINC000414941881 433927709 /nfs/dbraw/zinc/92/77/09/433927709.db2.gz MDUBSFIHPFQRDM-UHFFFAOYSA-N 2 1 315.373 3.087 20 5 DGBDMP CCC([NH3+])(CC)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423286655 434339699 /nfs/dbraw/zinc/33/96/99/434339699.db2.gz HZWWYNDMSLMNBI-OAHLLOKOSA-N 2 1 305.422 3.424 20 5 DGBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298113 434349458 /nfs/dbraw/zinc/34/94/58/434349458.db2.gz NEWAPAGMFHICLP-CVEARBPZSA-N 2 1 305.422 3.023 20 5 DGBDMP C[C@H]1CC2(C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378454 434714717 /nfs/dbraw/zinc/71/47/17/434714717.db2.gz NELBVDQFWQWUDS-DRDHIDPGSA-N 2 1 315.417 3.072 20 5 DGBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536867844 435417002 /nfs/dbraw/zinc/41/70/02/435417002.db2.gz FJIOSDRFIUNMBH-RVKKMQEKSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000516024372 435511134 /nfs/dbraw/zinc/51/11/34/435511134.db2.gz SFQJFXJLDXFEMD-SIIHOXLZSA-N 2 1 317.433 3.435 20 5 DGBDMP CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576002417 316084934 /nfs/dbraw/zinc/08/49/34/316084934.db2.gz WWYIHOJBLQFSGF-MRXNPFEDSA-N 2 1 317.433 3.294 20 5 DGBDMP C[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000576359693 316122103 /nfs/dbraw/zinc/12/21/03/316122103.db2.gz JUGWVVCOFXXTSV-WMLDXEAASA-N 2 1 317.433 3.436 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648805 316256997 /nfs/dbraw/zinc/25/69/97/316256997.db2.gz KHUGSMLHXVSVRQ-LRDDRELGSA-N 2 1 314.389 3.013 20 5 DGBDMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461112 619130239 /nfs/dbraw/zinc/13/02/39/619130239.db2.gz LKLAAONDUYWXBY-KBPBESRZSA-N 2 1 305.422 3.161 20 5 DGBDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461115 619130248 /nfs/dbraw/zinc/13/02/48/619130248.db2.gz LKLAAONDUYWXBY-ZIAGYGMSSA-N 2 1 305.422 3.161 20 5 DGBDMP [NH3+]CCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000841032020 619166504 /nfs/dbraw/zinc/16/65/04/619166504.db2.gz GOKBUWVXGFAWIJ-UHFFFAOYSA-N 2 1 319.792 3.039 20 5 DGBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000839182585 621344067 /nfs/dbraw/zinc/34/40/67/621344067.db2.gz NUGFPGFPOBGWPU-GFCCVEGCSA-N 2 1 311.813 3.070 20 5 DGBDMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026166 622759921 /nfs/dbraw/zinc/75/99/21/622759921.db2.gz YKABPRKGIINMRS-OLZOCXBDSA-N 2 1 323.462 3.309 20 5 DGBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026166 622759925 /nfs/dbraw/zinc/75/99/25/622759925.db2.gz YKABPRKGIINMRS-OLZOCXBDSA-N 2 1 323.462 3.309 20 5 DGBDMP Cc1c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873139517 623047193 /nfs/dbraw/zinc/04/71/93/623047193.db2.gz CJRQBDKHNQXKTI-INIZCTEOSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873139517 623047197 /nfs/dbraw/zinc/04/71/97/623047197.db2.gz CJRQBDKHNQXKTI-INIZCTEOSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873139517 623047204 /nfs/dbraw/zinc/04/72/04/623047204.db2.gz CJRQBDKHNQXKTI-INIZCTEOSA-N 2 1 317.433 3.115 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868141 627211737 /nfs/dbraw/zinc/21/17/37/627211737.db2.gz WJTDJUWIQKQTFE-YOEHRIQHSA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868141 627211739 /nfs/dbraw/zinc/21/17/39/627211739.db2.gz WJTDJUWIQKQTFE-YOEHRIQHSA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554794 627683984 /nfs/dbraw/zinc/68/39/84/627683984.db2.gz IZESTIDXCLBAJB-KBPBESRZSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554794 627683986 /nfs/dbraw/zinc/68/39/86/627683986.db2.gz IZESTIDXCLBAJB-KBPBESRZSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554794 627683987 /nfs/dbraw/zinc/68/39/87/627683987.db2.gz IZESTIDXCLBAJB-KBPBESRZSA-N 2 1 320.437 3.092 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000262134592 657393337 /nfs/dbraw/zinc/39/33/37/657393337.db2.gz YOHMGZGEIWQGOF-UHFFFAOYSA-N 2 1 317.433 3.294 20 5 DGBDMP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689975 1191862934 /nfs/dbraw/zinc/86/29/34/1191862934.db2.gz GGWOYFXZUHSXQY-ABAIWWIYSA-N 2 1 311.813 3.245 20 5 DGBDMP Cc1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001335584994 1178933863 /nfs/dbraw/zinc/93/38/63/1178933863.db2.gz ZMKWKKKEASCJLL-GVDBMIGSSA-N 2 1 317.433 3.065 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001474029733 1183853892 /nfs/dbraw/zinc/85/38/92/1183853892.db2.gz XXFPIEJSYZFDFO-CABCVRRESA-N 2 1 305.422 3.174 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001474029736 1183854200 /nfs/dbraw/zinc/85/42/00/1183854200.db2.gz XXFPIEJSYZFDFO-LSDHHAIUSA-N 2 1 305.422 3.174 20 5 DGBDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001560844937 1189392899 /nfs/dbraw/zinc/39/28/99/1189392899.db2.gz CLNXEIGWSKLUBS-KRWDZBQOSA-N 2 1 319.449 3.237 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576315830 1191560473 /nfs/dbraw/zinc/56/04/73/1191560473.db2.gz MWJCPQVUPAKYSK-KEYYUXOJSA-N 2 1 303.406 3.107 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001621108430 1193803957 /nfs/dbraw/zinc/80/39/57/1193803957.db2.gz OUUBKJKDWAIGTH-USXIJHARSA-N 2 1 317.433 3.148 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001621108430 1193803960 /nfs/dbraw/zinc/80/39/60/1193803960.db2.gz OUUBKJKDWAIGTH-USXIJHARSA-N 2 1 317.433 3.148 20 5 DGBDMP CCC[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204421065 1090965524 /nfs/dbraw/zinc/96/55/24/1090965524.db2.gz BKNUPKIHILUWBI-UHFFFAOYSA-N 2 1 319.449 3.191 20 5 DGBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998301 1092478493 /nfs/dbraw/zinc/47/84/93/1092478493.db2.gz LBXNWYXCEWCRMJ-XLAORIBOSA-N 2 1 323.481 3.194 20 5 DGBDMP CCC(CC)[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169000826 1092480301 /nfs/dbraw/zinc/48/03/01/1092480301.db2.gz YTZXZNVCXWKSHP-MUIFIZLQSA-N 2 1 311.470 3.192 20 5 DGBDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206633116 1092765487 /nfs/dbraw/zinc/76/54/87/1092765487.db2.gz TVVKBDNGOWTWKB-OAHLLOKOSA-N 2 1 320.440 3.344 20 5 DGBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OCC[N+](C)(C)C ZINC001224771287 1096282734 /nfs/dbraw/zinc/28/27/34/1096282734.db2.gz ILEDDAPFBUSQOZ-GOSISDBHSA-N 2 1 305.486 3.010 20 5 DGBDMP C[C@H](C[N+](C)(C)C)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826915 1096295043 /nfs/dbraw/zinc/29/50/43/1096295043.db2.gz STRKTNGDXSPNHC-IEBWSBKVSA-N 2 1 305.486 3.010 20 5 DGBDMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC001177949463 1098666140 /nfs/dbraw/zinc/66/61/40/1098666140.db2.gz QXZPXTZWCVONKV-UHFFFAOYSA-N 2 1 317.433 3.400 20 5 DGBDMP CC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001178204624 1098745782 /nfs/dbraw/zinc/74/57/82/1098745782.db2.gz KUWSZCGKNSCPLJ-YQQAZPJKSA-N 2 1 303.406 3.262 20 5 DGBDMP Cc1c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC001202243235 1102913769 /nfs/dbraw/zinc/91/37/69/1102913769.db2.gz SZUOHIIZKGVFDV-UHFFFAOYSA-N 2 1 305.422 3.115 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328411686 1103937277 /nfs/dbraw/zinc/93/72/77/1103937277.db2.gz HLIDGXQYIDZBPV-UTCJRWHESA-N 2 1 315.417 3.074 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278206736 214023951 /nfs/dbraw/zinc/02/39/51/214023951.db2.gz HECQLWLWBAHMFW-KRWDZBQOSA-N 2 1 314.389 3.157 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000165302569 432055204 /nfs/dbraw/zinc/05/52/04/432055204.db2.gz VNZGFGHVIVESBT-HIFRSBDPSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160613 240044026 /nfs/dbraw/zinc/04/40/26/240044026.db2.gz CAYPINDBCPCMQB-CQSZACIVSA-N 2 1 316.405 3.101 20 5 DGBDMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000125884943 284287003 /nfs/dbraw/zinc/28/70/03/284287003.db2.gz OMRFONMHTOWGRB-HNNXBMFYSA-N 2 1 305.422 3.367 20 5 DGBDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000589195032 400273252 /nfs/dbraw/zinc/27/32/52/400273252.db2.gz BZLDSUGYAGBBHO-JKSUJKDBSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901498 400290952 /nfs/dbraw/zinc/29/09/52/400290952.db2.gz XKQKUYRQZXEQIP-PBHICJAKSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599051690 400939297 /nfs/dbraw/zinc/93/92/97/400939297.db2.gz WAVUAUSDNUWFDH-AAEUAGOBSA-N 2 1 300.362 3.038 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364448481 287027845 /nfs/dbraw/zinc/02/78/45/287027845.db2.gz QKWZQFOJOPZPDI-PVAVHDDUSA-N 2 1 317.433 3.132 20 5 DGBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346665667 264076759 /nfs/dbraw/zinc/07/67/59/264076759.db2.gz DGDVSDZDPSOOOE-STQMWFEESA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346692952 264080421 /nfs/dbraw/zinc/08/04/21/264080421.db2.gz KACPPNIGXFBDAO-GXTWGEPZSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346693036 264080452 /nfs/dbraw/zinc/08/04/52/264080452.db2.gz KMGIFNUEYPWQTO-QWHCGFSZSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346693034 264080574 /nfs/dbraw/zinc/08/05/74/264080574.db2.gz KMGIFNUEYPWQTO-CHWSQXEVSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1[NH3+] ZINC000347106902 264157116 /nfs/dbraw/zinc/15/71/16/264157116.db2.gz MCOLTRHKXYRZEM-WBMJQRKESA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1[NH3+] ZINC000347106902 264157119 /nfs/dbraw/zinc/15/71/19/264157119.db2.gz MCOLTRHKXYRZEM-WBMJQRKESA-N 2 1 315.373 3.024 20 5 DGBDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347113227 264158910 /nfs/dbraw/zinc/15/89/10/264158910.db2.gz QZPMPJGLYFBQCK-CYBMUJFWSA-N 2 1 315.373 3.026 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349245972 264502989 /nfs/dbraw/zinc/50/29/89/264502989.db2.gz JDAZABBMOJCBNX-CQSZACIVSA-N 2 1 323.437 3.374 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349245972 264502992 /nfs/dbraw/zinc/50/29/92/264502992.db2.gz JDAZABBMOJCBNX-CQSZACIVSA-N 2 1 323.437 3.374 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362617 431892240 /nfs/dbraw/zinc/89/22/40/431892240.db2.gz LPVRNZOOMZMZJX-UONOGXRCSA-N 2 1 303.406 3.038 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000271353481 432379637 /nfs/dbraw/zinc/37/96/37/432379637.db2.gz YUSOYPDUHVAJPW-CKEIUWERSA-N 2 1 314.389 3.435 20 5 DGBDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261609928 432433822 /nfs/dbraw/zinc/43/38/22/432433822.db2.gz BUWNJOAISCJANF-QGZVFWFLSA-N 2 1 315.373 3.026 20 5 DGBDMP CC[N@H+](CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000156573353 432600624 /nfs/dbraw/zinc/60/06/24/432600624.db2.gz PTGJZTFYKLYPEB-QGZVFWFLSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[N@@H+](CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000156573353 432600629 /nfs/dbraw/zinc/60/06/29/432600629.db2.gz PTGJZTFYKLYPEB-QGZVFWFLSA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178699977 432768726 /nfs/dbraw/zinc/76/87/26/432768726.db2.gz HAJROBNWSQHFTR-TZMCWYRMSA-N 2 1 316.405 3.395 20 5 DGBDMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278952526 432920921 /nfs/dbraw/zinc/92/09/21/432920921.db2.gz LLYMVXMUWTYHBW-CJNGLKHVSA-N 2 1 314.389 3.095 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000161056883 292827321 /nfs/dbraw/zinc/82/73/21/292827321.db2.gz BWBPSHVECWOKHP-IMJJTQAJSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292846621 433600353 /nfs/dbraw/zinc/60/03/53/433600353.db2.gz BNPHMHWQIHRJRJ-QAPCUYQASA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292846621 433600365 /nfs/dbraw/zinc/60/03/65/433600365.db2.gz BNPHMHWQIHRJRJ-QAPCUYQASA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292846621 433600374 /nfs/dbraw/zinc/60/03/74/433600374.db2.gz BNPHMHWQIHRJRJ-QAPCUYQASA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292846621 433600382 /nfs/dbraw/zinc/60/03/82/433600382.db2.gz BNPHMHWQIHRJRJ-QAPCUYQASA-N 2 1 317.433 3.382 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414831237 433869994 /nfs/dbraw/zinc/86/99/94/433869994.db2.gz CDFQTHRALLAIHD-WMLDXEAASA-N 2 1 319.449 3.413 20 5 DGBDMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000401762008 293868959 /nfs/dbraw/zinc/86/89/59/293868959.db2.gz CUOGKMJJIAIABC-MRXNPFEDSA-N 2 1 302.378 3.002 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423327091 434367239 /nfs/dbraw/zinc/36/72/39/434367239.db2.gz CUWWETNUCUGSRV-GUYCJALGSA-N 2 1 321.421 3.034 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]CC([NH3+])(CC)CC)cc1[N+](=O)[O-] ZINC000423288692 434343807 /nfs/dbraw/zinc/34/38/07/434343807.db2.gz UJZAKZQDVCJVIM-GFCCVEGCSA-N 2 1 309.410 3.162 20 5 DGBDMP O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000491928395 434884183 /nfs/dbraw/zinc/88/41/83/434884183.db2.gz FOKZNJXVHXGXHB-UHFFFAOYSA-N 2 1 320.780 3.351 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531955836 435128755 /nfs/dbraw/zinc/12/87/55/435128755.db2.gz BFFFAYDWHKCIEG-CYBMUJFWSA-N 2 1 302.378 3.149 20 5 DGBDMP Cc1ccc([C@@H](C)NCC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000538278048 435490763 /nfs/dbraw/zinc/49/07/63/435490763.db2.gz JGEWMASVDSHLAB-GDBMZVCRSA-N 2 1 305.422 3.428 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000538278048 435490770 /nfs/dbraw/zinc/49/07/70/435490770.db2.gz JGEWMASVDSHLAB-GDBMZVCRSA-N 2 1 305.422 3.428 20 5 DGBDMP CC(C)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000518215153 435629192 /nfs/dbraw/zinc/62/91/92/435629192.db2.gz NIKYHAYHNAIICI-INIZCTEOSA-N 2 1 303.406 3.045 20 5 DGBDMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000518215153 435629197 /nfs/dbraw/zinc/62/91/97/435629197.db2.gz NIKYHAYHNAIICI-INIZCTEOSA-N 2 1 303.406 3.045 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217502 315242965 /nfs/dbraw/zinc/24/29/65/315242965.db2.gz IICKLVJFPLHJKU-INIZCTEOSA-N 2 1 314.389 3.157 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130739 535176308 /nfs/dbraw/zinc/17/63/08/535176308.db2.gz HOWRWEOZUUSZKD-HZPDHXFCSA-N 2 1 319.449 3.236 20 5 DGBDMP C[N@H+]1CCCC[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000858246073 621167818 /nfs/dbraw/zinc/16/78/18/621167818.db2.gz TXMDBOPHERMDTQ-LBPRGKRZSA-N 2 1 311.813 3.070 20 5 DGBDMP Cc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000866710034 622158468 /nfs/dbraw/zinc/15/84/68/622158468.db2.gz WIYGGNNRXINLNS-KRWDZBQOSA-N 2 1 305.422 3.100 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705554 622158554 /nfs/dbraw/zinc/15/85/54/622158554.db2.gz CMBGDASQZFUYAM-CXAGYDPISA-N 2 1 305.422 3.353 20 5 DGBDMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026165 622760257 /nfs/dbraw/zinc/76/02/57/622760257.db2.gz YKABPRKGIINMRS-CHWSQXEVSA-N 2 1 323.462 3.309 20 5 DGBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026165 622760259 /nfs/dbraw/zinc/76/02/59/622760259.db2.gz YKABPRKGIINMRS-CHWSQXEVSA-N 2 1 323.462 3.309 20 5 DGBDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000261678282 656962021 /nfs/dbraw/zinc/96/20/21/656962021.db2.gz GTMVYLHTMUXEAH-KRWDZBQOSA-N 2 1 315.373 3.026 20 5 DGBDMP [NH3+]C[C@H]1CC[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001580331570 1192021625 /nfs/dbraw/zinc/02/16/25/1192021625.db2.gz RTGLJIKYWXVTDN-SHTZXODSSA-N 2 1 317.433 3.324 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001345955112 1179629322 /nfs/dbraw/zinc/62/93/22/1179629322.db2.gz BJTQZEKWBNIICQ-UHFFFAOYSA-N 2 1 323.824 3.214 20 5 DGBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113283 1193804860 /nfs/dbraw/zinc/80/48/60/1193804860.db2.gz CPXZOZSSFFBOTI-INIZCTEOSA-N 2 1 319.449 3.375 20 5 DGBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113283 1193804864 /nfs/dbraw/zinc/80/48/64/1193804864.db2.gz CPXZOZSSFFBOTI-INIZCTEOSA-N 2 1 319.449 3.375 20 5 DGBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113283 1193804869 /nfs/dbraw/zinc/80/48/69/1193804869.db2.gz CPXZOZSSFFBOTI-INIZCTEOSA-N 2 1 319.449 3.375 20 5 DGBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113283 1193804871 /nfs/dbraw/zinc/80/48/71/1193804871.db2.gz CPXZOZSSFFBOTI-INIZCTEOSA-N 2 1 319.449 3.375 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001621388156 1193836780 /nfs/dbraw/zinc/83/67/80/1193836780.db2.gz ZEIGOLDYJDFQOX-HNNXBMFYSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCCC1(C)C ZINC001621388156 1193836784 /nfs/dbraw/zinc/83/67/84/1193836784.db2.gz ZEIGOLDYJDFQOX-HNNXBMFYSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205281358 1091164349 /nfs/dbraw/zinc/16/43/49/1091164349.db2.gz SZLAANWWSYMQLR-HXUWFJFHSA-N 2 1 320.440 3.486 20 5 DGBDMP C[N+](C)(C)CCCO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001224620733 1096248532 /nfs/dbraw/zinc/24/85/32/1096248532.db2.gz CGBRQKXQYDCIRH-INIZCTEOSA-N 2 1 311.877 3.027 20 5 DGBDMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912636 1097292250 /nfs/dbraw/zinc/29/22/50/1097292250.db2.gz KWCABTYZBIAVHN-KRWDZBQOSA-N 2 1 319.449 3.116 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001173222846 1097373286 /nfs/dbraw/zinc/37/32/86/1097373286.db2.gz ZMVGYFUZGBTWEF-UWIFEVILSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001173222846 1097373288 /nfs/dbraw/zinc/37/32/88/1097373288.db2.gz ZMVGYFUZGBTWEF-UWIFEVILSA-N 2 1 317.433 3.131 20 5 DGBDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001173228913 1097376302 /nfs/dbraw/zinc/37/63/02/1097376302.db2.gz NNCFITSFAZLLBD-RKVPGOIHSA-N 2 1 319.449 3.234 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001173228677 1097376498 /nfs/dbraw/zinc/37/64/98/1097376498.db2.gz JMYPERSJPGVDEX-RDJZCZTQSA-N 2 1 319.449 3.367 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460466 1104547875 /nfs/dbraw/zinc/54/78/75/1104547875.db2.gz IJFIQBCCRWVXKH-RDTXWAMCSA-N 2 1 317.433 3.038 20 5 DGBDMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246501011 1104566948 /nfs/dbraw/zinc/56/69/48/1104566948.db2.gz JVIBUBZKERQUMW-CQSZACIVSA-N 2 1 307.438 3.413 20 5 DGBDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382648 1108438240 /nfs/dbraw/zinc/43/82/40/1108438240.db2.gz HYMHNUGTKQKADK-YOEHRIQHSA-N 2 1 305.422 3.367 20 5 DGBDMP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC001308301499 1111413762 /nfs/dbraw/zinc/41/37/62/1111413762.db2.gz YPFBXWYEQGDULL-UHFFFAOYSA-N 2 1 303.406 3.091 20 5 DGBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000281122174 216093023 /nfs/dbraw/zinc/09/30/23/216093023.db2.gz CEVIHCJQTQKSKU-RMKNXTFCSA-N 2 1 303.406 3.026 20 5 DGBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+]1CCCC1 ZINC000281122174 216093026 /nfs/dbraw/zinc/09/30/26/216093026.db2.gz CEVIHCJQTQKSKU-RMKNXTFCSA-N 2 1 303.406 3.026 20 5 DGBDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543773 241165566 /nfs/dbraw/zinc/16/55/66/241165566.db2.gz CRQLBOKWMBNBTN-IAGOWNOFSA-N 2 1 317.433 3.259 20 5 DGBDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543773 241165570 /nfs/dbraw/zinc/16/55/70/241165570.db2.gz CRQLBOKWMBNBTN-IAGOWNOFSA-N 2 1 317.433 3.259 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000468648022 533385419 /nfs/dbraw/zinc/38/54/19/533385419.db2.gz MWOPCPYEUYZAIG-YWALDVPYSA-N 2 1 315.417 3.215 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000468650667 533410227 /nfs/dbraw/zinc/41/02/27/533410227.db2.gz VFKCSVCJGLXUJR-YUOYJMCBSA-N 2 1 303.406 3.070 20 5 DGBDMP C[C@@H]1C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599051693 400940302 /nfs/dbraw/zinc/94/03/02/400940302.db2.gz WAVUAUSDNUWFDH-YPMHNXCESA-N 2 1 300.362 3.038 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420311376 292294946 /nfs/dbraw/zinc/29/49/46/292294946.db2.gz QZASBHDZOLQNEK-CQSZACIVSA-N 2 1 303.406 3.040 20 5 DGBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)C[NH3+] ZINC000346649173 264072758 /nfs/dbraw/zinc/07/27/58/264072758.db2.gz GMSCMLICBPGQAY-UHFFFAOYSA-N 2 1 317.389 3.272 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346827201 264104720 /nfs/dbraw/zinc/10/47/20/264104720.db2.gz HTRVSFTWZIJDKO-USXIJHARSA-N 2 1 317.433 3.277 20 5 DGBDMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000368964752 271228024 /nfs/dbraw/zinc/22/80/24/271228024.db2.gz HIPCWUYDVKLBHL-UHFFFAOYSA-N 2 1 323.824 3.308 20 5 DGBDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000368964752 271228029 /nfs/dbraw/zinc/22/80/29/271228029.db2.gz HIPCWUYDVKLBHL-UHFFFAOYSA-N 2 1 323.824 3.308 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000192925241 432428477 /nfs/dbraw/zinc/42/84/77/432428477.db2.gz LZLWXMGWYYOGLI-OAHLLOKOSA-N 2 1 305.422 3.430 20 5 DGBDMP Cc1c(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262511742 432489524 /nfs/dbraw/zinc/48/95/24/432489524.db2.gz NARPQPVKLDKUMD-XJKSGUPXSA-N 2 1 305.422 3.304 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000161072979 432757834 /nfs/dbraw/zinc/75/78/34/432757834.db2.gz LPNLLLOYIKHTRS-ZNMIVQPWSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178699987 432768398 /nfs/dbraw/zinc/76/83/98/432768398.db2.gz HAJROBNWSQHFTR-OCCSQVGLSA-N 2 1 316.405 3.395 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000453408595 433164001 /nfs/dbraw/zinc/16/40/01/433164001.db2.gz FLEHCGBVJLMVQL-CQSZACIVSA-N 2 1 305.422 3.428 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173008 433436770 /nfs/dbraw/zinc/43/67/70/433436770.db2.gz FYBGVDHPXFQLGT-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414187220 433449115 /nfs/dbraw/zinc/44/91/15/433449115.db2.gz PRELIFLWUBFSJZ-KSSFIOAISA-N 2 1 317.433 3.294 20 5 DGBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414187216 433451633 /nfs/dbraw/zinc/45/16/33/433451633.db2.gz PRELIFLWUBFSJZ-KDOFPFPSSA-N 2 1 317.433 3.294 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000373024958 293252237 /nfs/dbraw/zinc/25/22/37/293252237.db2.gz ONHSDCXUXKYANI-RVKKMQEKSA-N 2 1 315.417 3.189 20 5 DGBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC([NH3+])C1 ZINC000414780368 433830203 /nfs/dbraw/zinc/83/02/03/433830203.db2.gz TULPOOHBWOOSJC-UHFFFAOYSA-N 2 1 317.414 3.245 20 5 DGBDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414785883 433835862 /nfs/dbraw/zinc/83/58/62/433835862.db2.gz ABCRLNADZNFXSH-AWEZNQCLSA-N 2 1 319.430 3.396 20 5 DGBDMP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414888119 433898299 /nfs/dbraw/zinc/89/82/99/433898299.db2.gz JUDLXJZVQQEEIL-CQSZACIVSA-N 2 1 317.414 3.150 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415064727 433975859 /nfs/dbraw/zinc/97/58/59/433975859.db2.gz LHVDYNNMDCYNTE-CZUORRHYSA-N 2 1 305.422 3.023 20 5 DGBDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000414956165 433937100 /nfs/dbraw/zinc/93/71/00/433937100.db2.gz UZAHKCVTSRQRSD-GXTWGEPZSA-N 2 1 315.373 3.085 20 5 DGBDMP C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1c[nH+]ccc1N ZINC000422922406 434111914 /nfs/dbraw/zinc/11/19/14/434111914.db2.gz QFZYGJQDJBKFBN-CYBMUJFWSA-N 2 1 314.389 3.076 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363924816 434188506 /nfs/dbraw/zinc/18/85/06/434188506.db2.gz SVOOSLGBIUJELK-HOTGVXAUSA-N 2 1 317.433 3.435 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363924816 434188519 /nfs/dbraw/zinc/18/85/19/434188519.db2.gz SVOOSLGBIUJELK-HOTGVXAUSA-N 2 1 317.433 3.435 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423327092 434366562 /nfs/dbraw/zinc/36/65/62/434366562.db2.gz CUWWETNUCUGSRV-SUMWQHHRSA-N 2 1 321.421 3.034 20 5 DGBDMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423324950 434360481 /nfs/dbraw/zinc/36/04/81/434360481.db2.gz LHCBLRXJSJRABD-GHMZBOCLSA-N 2 1 305.403 3.321 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750333 434393685 /nfs/dbraw/zinc/39/36/85/434393685.db2.gz HRJYMOLRGBTPNQ-HOCLYGCPSA-N 2 1 305.422 3.208 20 5 DGBDMP Cc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000296059270 434494098 /nfs/dbraw/zinc/49/40/98/434494098.db2.gz VSPJKDPFXPJMBN-WWTUQBGBSA-N 2 1 303.406 3.179 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000296059270 434494113 /nfs/dbraw/zinc/49/41/13/434494113.db2.gz VSPJKDPFXPJMBN-WWTUQBGBSA-N 2 1 303.406 3.179 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459784781 434719838 /nfs/dbraw/zinc/71/98/38/434719838.db2.gz OORKCHZTHVMGHE-RBFDBLARSA-N 2 1 317.433 3.320 20 5 DGBDMP C[NH+](C)CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000579977577 435197130 /nfs/dbraw/zinc/19/71/30/435197130.db2.gz GRJQOKGKPNACLS-MRXNPFEDSA-N 2 1 317.433 3.294 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536859052 435417412 /nfs/dbraw/zinc/41/74/12/435417412.db2.gz QFYGKOHPNHMOQN-OCCSQVGLSA-N 2 1 316.405 3.395 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000560890807 314947631 /nfs/dbraw/zinc/94/76/31/314947631.db2.gz GAXJEQAPDAHQNH-UHFFFAOYSA-N 2 1 317.433 3.482 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468627733 534955782 /nfs/dbraw/zinc/95/57/82/534955782.db2.gz ODYUWUDGEZMBSS-IUYQLWOBSA-N 2 1 317.433 3.320 20 5 DGBDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461113 619130377 /nfs/dbraw/zinc/13/03/77/619130377.db2.gz LKLAAONDUYWXBY-KGLIPLIRSA-N 2 1 305.422 3.161 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000903883490 619827984 /nfs/dbraw/zinc/82/79/84/619827984.db2.gz IFYBBDVAXNOPCF-MQVJKMGUSA-N 2 1 315.417 3.090 20 5 DGBDMP C[N@H+]1CCCC[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858245731 621167539 /nfs/dbraw/zinc/16/75/39/621167539.db2.gz WPUYMJGAWCDPRR-LBPRGKRZSA-N 2 1 311.813 3.070 20 5 DGBDMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000125143257 623336827 /nfs/dbraw/zinc/33/68/27/623336827.db2.gz ZSLUGTNOKXSZHE-UHFFFAOYSA-N 2 1 305.422 3.257 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877739902 624012798 /nfs/dbraw/zinc/01/27/98/624012798.db2.gz ICUWQCJBQPBBGK-JRIYGVKESA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739902 624012800 /nfs/dbraw/zinc/01/28/00/624012800.db2.gz ICUWQCJBQPBBGK-JRIYGVKESA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739902 624012804 /nfs/dbraw/zinc/01/28/04/624012804.db2.gz ICUWQCJBQPBBGK-JRIYGVKESA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739902 624012808 /nfs/dbraw/zinc/01/28/08/624012808.db2.gz ICUWQCJBQPBBGK-JRIYGVKESA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@H]21 ZINC000796840410 626088739 /nfs/dbraw/zinc/08/87/39/626088739.db2.gz WWENWQIQBNJRRV-VNQPRFMTSA-N 2 1 323.824 3.211 20 5 DGBDMP C[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@H]21 ZINC000796840410 626088741 /nfs/dbraw/zinc/08/87/41/626088741.db2.gz WWENWQIQBNJRRV-VNQPRFMTSA-N 2 1 323.824 3.211 20 5 DGBDMP CC(C)([NH3+])CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000925740322 627785211 /nfs/dbraw/zinc/78/52/11/627785211.db2.gz ITAWRYQGMHTMGL-QGZVFWFLSA-N 2 1 313.401 3.401 20 5 DGBDMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004688 630394194 /nfs/dbraw/zinc/39/41/94/630394194.db2.gz XCUPITPEQFECIZ-RYUDHWBXSA-N 2 1 311.813 3.068 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Cl ZINC000843124849 630616236 /nfs/dbraw/zinc/61/62/36/630616236.db2.gz JGVOZCFRLPVTBF-UONOGXRCSA-N 2 1 323.824 3.070 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(Cl)c1 ZINC001621382624 1193835588 /nfs/dbraw/zinc/83/55/88/1193835588.db2.gz RSMSROZFWZFTDL-UHFFFAOYSA-N 2 1 316.748 3.186 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001658192967 1196223439 /nfs/dbraw/zinc/22/34/39/1196223439.db2.gz IATYEFVNZRNPGI-SFHVURJKSA-N 2 1 317.433 3.129 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001658192967 1196223441 /nfs/dbraw/zinc/22/34/41/1196223441.db2.gz IATYEFVNZRNPGI-SFHVURJKSA-N 2 1 317.433 3.129 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001658192967 1196223443 /nfs/dbraw/zinc/22/34/43/1196223443.db2.gz IATYEFVNZRNPGI-SFHVURJKSA-N 2 1 317.433 3.129 20 5 DGBDMP CC(C)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC001246581844 1104604519 /nfs/dbraw/zinc/60/45/19/1104604519.db2.gz BGHUUJSGXJGJRG-RDJZCZTQSA-N 2 1 319.449 3.378 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001254548693 1106101863 /nfs/dbraw/zinc/10/18/63/1106101863.db2.gz KOEKONDCBPWAID-JKSUJKDBSA-N 2 1 319.449 3.367 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001254563942 1106104517 /nfs/dbraw/zinc/10/45/17/1106104517.db2.gz HADYCSXCMRBWHR-CYBMUJFWSA-N 2 1 314.389 3.062 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173441732 198215386 /nfs/dbraw/zinc/21/53/86/198215386.db2.gz MCKYLXCTKOWZSU-CYBMUJFWSA-N 2 1 302.378 3.231 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134907908 432089700 /nfs/dbraw/zinc/08/97/00/432089700.db2.gz YLBOBKAPQKBYFE-QAPCUYQASA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134907908 432089701 /nfs/dbraw/zinc/08/97/01/432089701.db2.gz YLBOBKAPQKBYFE-QAPCUYQASA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134907908 432089703 /nfs/dbraw/zinc/08/97/03/432089703.db2.gz YLBOBKAPQKBYFE-QAPCUYQASA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134907908 432089704 /nfs/dbraw/zinc/08/97/04/432089704.db2.gz YLBOBKAPQKBYFE-QAPCUYQASA-N 2 1 315.417 3.044 20 5 DGBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043156 193146303 /nfs/dbraw/zinc/14/63/03/193146303.db2.gz GJCKUFWFWRTEEF-PRPGUUAMSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043156 193146305 /nfs/dbraw/zinc/14/63/05/193146305.db2.gz GJCKUFWFWRTEEF-PRPGUUAMSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043156 193146306 /nfs/dbraw/zinc/14/63/06/193146306.db2.gz GJCKUFWFWRTEEF-PRPGUUAMSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000092043156 193146308 /nfs/dbraw/zinc/14/63/08/193146308.db2.gz GJCKUFWFWRTEEF-PRPGUUAMSA-N 2 1 315.417 3.024 20 5 DGBDMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178629 244155189 /nfs/dbraw/zinc/15/51/89/244155189.db2.gz LQKFVYKUJFROMZ-MJSCBBHESA-N 2 1 317.433 3.272 20 5 DGBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178629 244155195 /nfs/dbraw/zinc/15/51/95/244155195.db2.gz LQKFVYKUJFROMZ-MJSCBBHESA-N 2 1 317.433 3.272 20 5 DGBDMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178629 244155199 /nfs/dbraw/zinc/15/51/99/244155199.db2.gz LQKFVYKUJFROMZ-MJSCBBHESA-N 2 1 317.433 3.272 20 5 DGBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470178629 244155206 /nfs/dbraw/zinc/15/52/06/244155206.db2.gz LQKFVYKUJFROMZ-MJSCBBHESA-N 2 1 317.433 3.272 20 5 DGBDMP C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000121588897 284201627 /nfs/dbraw/zinc/20/16/27/284201627.db2.gz OCSVCWIXAOCZHP-GJZGRUSLSA-N 2 1 305.422 3.367 20 5 DGBDMP C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[NH+](C)C ZINC000491599173 245532706 /nfs/dbraw/zinc/53/27/06/245532706.db2.gz ORQBEACXAUVLGA-ZDUSSCGKSA-N 2 1 317.389 3.142 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268850080 207017240 /nfs/dbraw/zinc/01/72/40/207017240.db2.gz KCMBAWXSZVEGRP-CYBMUJFWSA-N 2 1 302.378 3.149 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000246846461 284925019 /nfs/dbraw/zinc/92/50/19/284925019.db2.gz BWBPSHVECWOKHP-CWRNSKLLSA-N 2 1 305.422 3.427 20 5 DGBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609145740 400144821 /nfs/dbraw/zinc/14/48/21/400144821.db2.gz ZWPIRCJVPFVCJC-UHFFFAOYSA-N 2 1 323.412 3.286 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609145740 400144826 /nfs/dbraw/zinc/14/48/26/400144826.db2.gz ZWPIRCJVPFVCJC-UHFFFAOYSA-N 2 1 323.412 3.286 20 5 DGBDMP CC1([NH3+])CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000592431649 400648623 /nfs/dbraw/zinc/64/86/23/400648623.db2.gz VHGLVGYLPVFYQJ-UHFFFAOYSA-N 2 1 315.373 3.168 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493984 400658289 /nfs/dbraw/zinc/65/82/89/400658289.db2.gz YFEQXCANLCHRIM-OWCLPIDISA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593316292 400817401 /nfs/dbraw/zinc/81/74/01/400817401.db2.gz OROGWYVSHCXZBH-YOPWKTHZSA-N 2 1 303.406 3.057 20 5 DGBDMP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)C[NH3+] ZINC000346636807 264070317 /nfs/dbraw/zinc/07/03/17/264070317.db2.gz HZNNRXRKOBLDQB-UHFFFAOYSA-N 2 1 317.389 3.272 20 5 DGBDMP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1[NH3+] ZINC000347043364 264145712 /nfs/dbraw/zinc/14/57/12/264145712.db2.gz MEKYLUPSNFMDDB-LRDDRELGSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1[NH3+] ZINC000347043364 264145714 /nfs/dbraw/zinc/14/57/14/264145714.db2.gz MEKYLUPSNFMDDB-LRDDRELGSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000347140045 264163985 /nfs/dbraw/zinc/16/39/85/264163985.db2.gz VYYBXBCSMFYITF-IUODEOHRSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000347140045 264163987 /nfs/dbraw/zinc/16/39/87/264163987.db2.gz VYYBXBCSMFYITF-IUODEOHRSA-N 2 1 315.373 3.024 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182806625 432229946 /nfs/dbraw/zinc/22/99/46/432229946.db2.gz TZKFFRQCUOWQMY-LSDHHAIUSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182806625 432229948 /nfs/dbraw/zinc/22/99/48/432229948.db2.gz TZKFFRQCUOWQMY-LSDHHAIUSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182806625 432229950 /nfs/dbraw/zinc/22/99/50/432229950.db2.gz TZKFFRQCUOWQMY-LSDHHAIUSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182806625 432229953 /nfs/dbraw/zinc/22/99/53/432229953.db2.gz TZKFFRQCUOWQMY-LSDHHAIUSA-N 2 1 305.422 3.238 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435447094 276052469 /nfs/dbraw/zinc/05/24/69/276052469.db2.gz NPBDGHARQVVLTB-OAHLLOKOSA-N 2 1 305.422 3.292 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000435447094 276052470 /nfs/dbraw/zinc/05/24/70/276052470.db2.gz NPBDGHARQVVLTB-OAHLLOKOSA-N 2 1 305.422 3.292 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261066 279382440 /nfs/dbraw/zinc/38/24/40/279382440.db2.gz IYEAQFZHPVOBJJ-CJNGLKHVSA-N 2 1 305.422 3.023 20 5 DGBDMP CC[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000113656039 431358122 /nfs/dbraw/zinc/35/81/22/431358122.db2.gz BXZYKSANEZFICV-UHFFFAOYSA-N 2 1 311.813 3.070 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362132 431891737 /nfs/dbraw/zinc/89/17/37/431891737.db2.gz LPVRNZOOMZMZJX-KBPBESRZSA-N 2 1 303.406 3.038 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420305407 281022686 /nfs/dbraw/zinc/02/26/86/281022686.db2.gz KDOVYMVVEDRNHP-CLROSIBMSA-N 2 1 303.406 3.023 20 5 DGBDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031116 432264365 /nfs/dbraw/zinc/26/43/65/432264365.db2.gz QJVFIFZJCGUZOK-UKRRQHHQSA-N 2 1 323.824 3.164 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000249060410 432336137 /nfs/dbraw/zinc/33/61/37/432336137.db2.gz ZVVNQBWJLWCNMK-KSSFIOAISA-N 2 1 317.433 3.294 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271004697 432314636 /nfs/dbraw/zinc/31/46/36/432314636.db2.gz KXVIMJYSQOFDSQ-ZDUSSCGKSA-N 2 1 302.378 3.183 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271004697 432314641 /nfs/dbraw/zinc/31/46/41/432314641.db2.gz KXVIMJYSQOFDSQ-ZDUSSCGKSA-N 2 1 302.378 3.183 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000271353483 432379242 /nfs/dbraw/zinc/37/92/42/432379242.db2.gz YUSOYPDUHVAJPW-JKIFEVAISA-N 2 1 314.389 3.435 20 5 DGBDMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588731 432390773 /nfs/dbraw/zinc/39/07/73/432390773.db2.gz BFBPFDQUORKZJZ-KRWDZBQOSA-N 2 1 305.422 3.294 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178705238 432768379 /nfs/dbraw/zinc/76/83/79/432768379.db2.gz MDAKYXKFRUGPBD-QWHCGFSZSA-N 2 1 302.378 3.087 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178700091 432768568 /nfs/dbraw/zinc/76/85/68/432768568.db2.gz HAJROBNWSQHFTR-GXTWGEPZSA-N 2 1 316.405 3.395 20 5 DGBDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266899116 432795186 /nfs/dbraw/zinc/79/51/86/432795186.db2.gz SZBIQVZPCARKFC-ZDUSSCGKSA-N 2 1 303.406 3.262 20 5 DGBDMP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261115 434319587 /nfs/dbraw/zinc/31/95/87/434319587.db2.gz JBRLDCMBIMZVMB-CZUORRHYSA-N 2 1 305.422 3.461 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750336 434395618 /nfs/dbraw/zinc/39/56/18/434395618.db2.gz HRJYMOLRGBTPNQ-ZBFHGGJFSA-N 2 1 305.422 3.208 20 5 DGBDMP CCC[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240063 435150927 /nfs/dbraw/zinc/15/09/27/435150927.db2.gz GNVDNJUIJYJBFP-RHSMWYFYSA-N 2 1 305.422 3.367 20 5 DGBDMP CCC[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240063 435150931 /nfs/dbraw/zinc/15/09/31/435150931.db2.gz GNVDNJUIJYJBFP-RHSMWYFYSA-N 2 1 305.422 3.367 20 5 DGBDMP CC[N@@H+](CCC[NH+](C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000583962101 435261002 /nfs/dbraw/zinc/26/10/02/435261002.db2.gz DRHAZHPGUHWAFE-QINSGFPZSA-N 2 1 305.422 3.272 20 5 DGBDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000569222326 435513537 /nfs/dbraw/zinc/51/35/37/435513537.db2.gz WLUJVHHXOKRDGL-GJZGRUSLSA-N 2 1 307.438 3.234 20 5 DGBDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000569222326 435513542 /nfs/dbraw/zinc/51/35/42/435513542.db2.gz WLUJVHHXOKRDGL-GJZGRUSLSA-N 2 1 307.438 3.234 20 5 DGBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420158 435823319 /nfs/dbraw/zinc/82/33/19/435823319.db2.gz NOILVXFTIOVVMZ-OCCSQVGLSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420158 435823324 /nfs/dbraw/zinc/82/33/24/435823324.db2.gz NOILVXFTIOVVMZ-OCCSQVGLSA-N 2 1 315.373 3.166 20 5 DGBDMP CC1CC[NH+](CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565219411 315243231 /nfs/dbraw/zinc/24/32/31/315243231.db2.gz VDMZKNGOXQVBFU-KRWDZBQOSA-N 2 1 317.433 3.294 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000442928108 528093303 /nfs/dbraw/zinc/09/33/03/528093303.db2.gz PIRHSKWNKXKWCW-CQSZACIVSA-N 2 1 305.422 3.279 20 5 DGBDMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746665742 575467440 /nfs/dbraw/zinc/46/74/40/575467440.db2.gz DVJRTJMFKSGEIR-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP C[NH+]1CCC(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000894717655 618434094 /nfs/dbraw/zinc/43/40/94/618434094.db2.gz FSWVSZOPCPJIAD-KRWDZBQOSA-N 2 1 317.433 3.116 20 5 DGBDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000762557205 622083652 /nfs/dbraw/zinc/08/36/52/622083652.db2.gz VSPQGVPNTBIXFG-NRFANRHFSA-N 2 1 320.436 3.149 20 5 DGBDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000762557205 622083653 /nfs/dbraw/zinc/08/36/53/622083653.db2.gz VSPQGVPNTBIXFG-NRFANRHFSA-N 2 1 320.436 3.149 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000872054483 622779327 /nfs/dbraw/zinc/77/93/27/622779327.db2.gz XAHSVLDTVAHGCJ-LBPRGKRZSA-N 2 1 321.446 3.229 20 5 DGBDMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000872253101 622868585 /nfs/dbraw/zinc/86/85/85/622868585.db2.gz ZWENGHMVSOATCS-ZDUSSCGKSA-N 2 1 311.813 3.116 20 5 DGBDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873020498 623019013 /nfs/dbraw/zinc/01/90/13/623019013.db2.gz UOJODSBNCDFCOG-OAHLLOKOSA-N 2 1 305.422 3.033 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873020498 623019019 /nfs/dbraw/zinc/01/90/19/623019019.db2.gz UOJODSBNCDFCOG-OAHLLOKOSA-N 2 1 305.422 3.033 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868138 627211862 /nfs/dbraw/zinc/21/18/62/627211862.db2.gz WJTDJUWIQKQTFE-PBHICJAKSA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868138 627211866 /nfs/dbraw/zinc/21/18/66/627211866.db2.gz WJTDJUWIQKQTFE-PBHICJAKSA-N 2 1 303.406 3.121 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000843055543 630609288 /nfs/dbraw/zinc/60/92/88/630609288.db2.gz GSLOPSPHLXUJQT-UHFFFAOYSA-N 2 1 305.422 3.420 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001621108429 1193803896 /nfs/dbraw/zinc/80/38/96/1193803896.db2.gz OUUBKJKDWAIGTH-HYVNUMGLSA-N 2 1 317.433 3.148 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001621108429 1193803900 /nfs/dbraw/zinc/80/39/00/1193803900.db2.gz OUUBKJKDWAIGTH-HYVNUMGLSA-N 2 1 317.433 3.148 20 5 DGBDMP Cc1c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001656897223 1196081421 /nfs/dbraw/zinc/08/14/21/1196081421.db2.gz WHPQUJPQYIMHEE-AWEZNQCLSA-N 2 1 305.422 3.115 20 5 DGBDMP Cc1c(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369700 1196476285 /nfs/dbraw/zinc/47/62/85/1196476285.db2.gz JSWMYLVUOSDNAR-RHSMWYFYSA-N 2 1 319.449 3.455 20 5 DGBDMP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369700 1196476286 /nfs/dbraw/zinc/47/62/86/1196476286.db2.gz JSWMYLVUOSDNAR-RHSMWYFYSA-N 2 1 319.449 3.455 20 5 DGBDMP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001661991709 1196673173 /nfs/dbraw/zinc/67/31/73/1196673173.db2.gz OLCHDKYCKYOEDV-INIZCTEOSA-N 2 1 319.449 3.361 20 5 DGBDMP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001661991709 1196673176 /nfs/dbraw/zinc/67/31/76/1196673176.db2.gz OLCHDKYCKYOEDV-INIZCTEOSA-N 2 1 319.449 3.361 20 5 DGBDMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065894 1083872892 /nfs/dbraw/zinc/87/28/92/1083872892.db2.gz RDVOLVZAVZIKIE-MAUKXSAKSA-N 2 1 319.449 3.190 20 5 DGBDMP CC(C)(C)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169000241 1092481042 /nfs/dbraw/zinc/48/10/42/1092481042.db2.gz XEWAADUMOSTXRU-FPCVCCKLSA-N 2 1 311.470 3.050 20 5 DGBDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293145 1095508677 /nfs/dbraw/zinc/50/86/77/1095508677.db2.gz KMRXMAAHABXJKH-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293145 1095508685 /nfs/dbraw/zinc/50/86/85/1095508685.db2.gz KMRXMAAHABXJKH-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215785 1097367916 /nfs/dbraw/zinc/36/79/16/1097367916.db2.gz ZRLBFWGDPICKKI-OAHLLOKOSA-N 2 1 307.438 3.237 20 5 DGBDMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215785 1097367921 /nfs/dbraw/zinc/36/79/21/1097367921.db2.gz ZRLBFWGDPICKKI-OAHLLOKOSA-N 2 1 307.438 3.237 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001173225307 1097373814 /nfs/dbraw/zinc/37/38/14/1097373814.db2.gz JHAVCLOASIWJML-OAHLLOKOSA-N 2 1 317.433 3.086 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001173236264 1097381628 /nfs/dbraw/zinc/38/16/28/1097381628.db2.gz ZMVGYFUZGBTWEF-PLYYQAHHSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001173236264 1097381635 /nfs/dbraw/zinc/38/16/35/1097381635.db2.gz ZMVGYFUZGBTWEF-PLYYQAHHSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246609709 1104624057 /nfs/dbraw/zinc/62/40/57/1104624057.db2.gz JFPYAMXIXPRMCM-HNNXBMFYSA-N 2 1 317.433 3.134 20 5 DGBDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094259 1105886927 /nfs/dbraw/zinc/88/69/27/1105886927.db2.gz BANZXHJUWLMEJH-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094259 1105886934 /nfs/dbraw/zinc/88/69/34/1105886934.db2.gz BANZXHJUWLMEJH-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001308570251 1111445723 /nfs/dbraw/zinc/44/57/23/1111445723.db2.gz KTWJHLWILSYZFU-QAPCUYQASA-N 2 1 317.433 3.128 20 5 DGBDMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178630 244155102 /nfs/dbraw/zinc/15/51/02/244155102.db2.gz LQKFVYKUJFROMZ-OBHPCNEJSA-N 2 1 317.433 3.272 20 5 DGBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178630 244155108 /nfs/dbraw/zinc/15/51/08/244155108.db2.gz LQKFVYKUJFROMZ-OBHPCNEJSA-N 2 1 317.433 3.272 20 5 DGBDMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178630 244155112 /nfs/dbraw/zinc/15/51/12/244155112.db2.gz LQKFVYKUJFROMZ-OBHPCNEJSA-N 2 1 317.433 3.272 20 5 DGBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178630 244155115 /nfs/dbraw/zinc/15/51/15/244155115.db2.gz LQKFVYKUJFROMZ-OBHPCNEJSA-N 2 1 317.433 3.272 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352535698 285353692 /nfs/dbraw/zinc/35/36/92/285353692.db2.gz UMJMPIZQZMEMLU-HNNXBMFYSA-N 2 1 305.422 3.422 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352535698 285353696 /nfs/dbraw/zinc/35/36/96/285353696.db2.gz UMJMPIZQZMEMLU-HNNXBMFYSA-N 2 1 305.422 3.422 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000165302826 292878521 /nfs/dbraw/zinc/87/85/21/292878521.db2.gz VNZGFGHVIVESBT-ZFWWWQNUSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094079 400315857 /nfs/dbraw/zinc/31/58/57/400315857.db2.gz JFAHHGWXDVSELL-ZBFHGGJFSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094079 400315858 /nfs/dbraw/zinc/31/58/58/400315858.db2.gz JFAHHGWXDVSELL-ZBFHGGJFSA-N 2 1 317.433 3.367 20 5 DGBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)o2)c1 ZINC000591278572 400505511 /nfs/dbraw/zinc/50/55/11/400505511.db2.gz RWROIZCDKRREHX-CQSZACIVSA-N 2 1 315.373 3.087 20 5 DGBDMP C[C@@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073955 400952224 /nfs/dbraw/zinc/95/22/24/400952224.db2.gz ODQQIYYFMPAQIX-CXAGYDPISA-N 2 1 303.406 3.262 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000151127160 432222481 /nfs/dbraw/zinc/22/24/81/432222481.db2.gz SRMFLWRBHMRNAF-PBHICJAKSA-N 2 1 305.422 3.367 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415064725 533681804 /nfs/dbraw/zinc/68/18/04/533681804.db2.gz LHVDYNNMDCYNTE-BBRMVZONSA-N 2 1 305.422 3.023 20 5 DGBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346692955 264080817 /nfs/dbraw/zinc/08/08/17/264080817.db2.gz KACPPNIGXFBDAO-TZMCWYRMSA-N 2 1 315.373 3.024 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023869 264142248 /nfs/dbraw/zinc/14/22/48/264142248.db2.gz QFSDMDVTVPKFBW-UKRRQHHQSA-N 2 1 305.422 3.277 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023869 264142250 /nfs/dbraw/zinc/14/22/50/264142250.db2.gz QFSDMDVTVPKFBW-UKRRQHHQSA-N 2 1 305.422 3.277 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347070195 264150619 /nfs/dbraw/zinc/15/06/19/264150619.db2.gz AAVZKIOMDDGLAR-DZGCQCFKSA-N 2 1 313.357 3.204 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccncc2)C1 ZINC000347070195 264150620 /nfs/dbraw/zinc/15/06/20/264150620.db2.gz AAVZKIOMDDGLAR-DZGCQCFKSA-N 2 1 313.357 3.204 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182805607 432229763 /nfs/dbraw/zinc/22/97/63/432229763.db2.gz SZFOKUSJQROTGM-JKSUJKDBSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182805607 432229765 /nfs/dbraw/zinc/22/97/65/432229765.db2.gz SZFOKUSJQROTGM-JKSUJKDBSA-N 2 1 317.433 3.382 20 5 DGBDMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192589535 432390014 /nfs/dbraw/zinc/39/00/14/432390014.db2.gz VUMQZFWWQDDNLF-INIZCTEOSA-N 2 1 305.422 3.150 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245535329 432839828 /nfs/dbraw/zinc/83/98/28/432839828.db2.gz WMBOBBCCUBPZRN-MPGHIAIKSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245535329 432839832 /nfs/dbraw/zinc/83/98/32/432839832.db2.gz WMBOBBCCUBPZRN-MPGHIAIKSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245535329 432839834 /nfs/dbraw/zinc/83/98/34/432839834.db2.gz WMBOBBCCUBPZRN-MPGHIAIKSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245535329 432839837 /nfs/dbraw/zinc/83/98/37/432839837.db2.gz WMBOBBCCUBPZRN-MPGHIAIKSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000279056013 432930546 /nfs/dbraw/zinc/93/05/46/432930546.db2.gz YLJFGKBGMIBHCM-ZIAGYGMSSA-N 2 1 314.389 3.013 20 5 DGBDMP Cc1ccc(CCC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000361797765 433394584 /nfs/dbraw/zinc/39/45/84/433394584.db2.gz KLKKJXOPDFARQZ-UHFFFAOYSA-N 2 1 311.385 3.289 20 5 DGBDMP Cc1ccc(CCCN2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000361797765 433394595 /nfs/dbraw/zinc/39/45/95/433394595.db2.gz KLKKJXOPDFARQZ-UHFFFAOYSA-N 2 1 311.385 3.289 20 5 DGBDMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429190 433576491 /nfs/dbraw/zinc/57/64/91/433576491.db2.gz PZQKFAJLAZIRNW-MRXNPFEDSA-N 2 1 323.824 3.166 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000373024955 293251937 /nfs/dbraw/zinc/25/19/37/293251937.db2.gz ONHSDCXUXKYANI-RLFYNMQTSA-N 2 1 315.417 3.189 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000373024948 293252128 /nfs/dbraw/zinc/25/21/28/293252128.db2.gz ONHSDCXUXKYANI-HDMKZQKVSA-N 2 1 315.417 3.189 20 5 DGBDMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000414887801 433898454 /nfs/dbraw/zinc/89/84/54/433898454.db2.gz ZRAKUGPYTLSNTA-UHFFFAOYSA-N 2 1 317.414 3.294 20 5 DGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)o2)cc1 ZINC000414899422 433904680 /nfs/dbraw/zinc/90/46/80/433904680.db2.gz BUERGWRJDRUTNZ-CQSZACIVSA-N 2 1 315.373 3.087 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363791583 434151031 /nfs/dbraw/zinc/15/10/31/434151031.db2.gz JWIRHWMUKMFAEY-SOUVJXGZSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363791583 434151043 /nfs/dbraw/zinc/15/10/43/434151043.db2.gz JWIRHWMUKMFAEY-SOUVJXGZSA-N 2 1 303.406 3.181 20 5 DGBDMP O=[N+]([O-])c1ccc(CCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459414649 434581504 /nfs/dbraw/zinc/58/15/04/434581504.db2.gz ATUVQBGFCREQGJ-UHFFFAOYSA-N 2 1 317.433 3.134 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349405037 434707199 /nfs/dbraw/zinc/70/71/99/434707199.db2.gz GYUNMADOAPENQW-YVMONPNESA-N 2 1 314.389 3.135 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349405037 434707207 /nfs/dbraw/zinc/70/72/07/434707207.db2.gz GYUNMADOAPENQW-YVMONPNESA-N 2 1 314.389 3.135 20 5 DGBDMP C[N@H+]1CCC[C@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363792 435157083 /nfs/dbraw/zinc/15/70/83/435157083.db2.gz NKUJGQYPMXWKQL-SWLSCSKDSA-N 2 1 323.824 3.164 20 5 DGBDMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000477919823 435285387 /nfs/dbraw/zinc/28/53/87/435285387.db2.gz XRNUGBHQDMQOHU-CQSZACIVSA-N 2 1 305.422 3.367 20 5 DGBDMP CC(C)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000518215154 435629450 /nfs/dbraw/zinc/62/94/50/435629450.db2.gz NIKYHAYHNAIICI-MRXNPFEDSA-N 2 1 303.406 3.045 20 5 DGBDMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000518215154 435629452 /nfs/dbraw/zinc/62/94/52/435629452.db2.gz NIKYHAYHNAIICI-MRXNPFEDSA-N 2 1 303.406 3.045 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536859033 313788821 /nfs/dbraw/zinc/78/88/21/313788821.db2.gz QFYGKOHPNHMOQN-GXTWGEPZSA-N 2 1 316.405 3.395 20 5 DGBDMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563634581 315129211 /nfs/dbraw/zinc/12/92/11/315129211.db2.gz DFOCMHQDHWQELT-ZENOOKHLSA-N 2 1 303.406 3.045 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000575992502 316084110 /nfs/dbraw/zinc/08/41/10/316084110.db2.gz TXSHCXNQVLHEOR-FFHGMXDLSA-N 2 1 303.406 3.179 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000575992502 316084114 /nfs/dbraw/zinc/08/41/14/316084114.db2.gz TXSHCXNQVLHEOR-FFHGMXDLSA-N 2 1 303.406 3.179 20 5 DGBDMP CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000576002416 316085126 /nfs/dbraw/zinc/08/51/26/316085126.db2.gz WWYIHOJBLQFSGF-INIZCTEOSA-N 2 1 317.433 3.294 20 5 DGBDMP CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616136 528783277 /nfs/dbraw/zinc/78/32/77/528783277.db2.gz RKBAZXOYWKERCT-AWEZNQCLSA-N 2 1 311.813 3.212 20 5 DGBDMP CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616136 528783282 /nfs/dbraw/zinc/78/32/82/528783282.db2.gz RKBAZXOYWKERCT-AWEZNQCLSA-N 2 1 311.813 3.212 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468621821 535523115 /nfs/dbraw/zinc/52/31/15/535523115.db2.gz ZCCAKTPYIUHCFN-OBHPCNEJSA-N 2 1 317.433 3.320 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039151 622768303 /nfs/dbraw/zinc/76/83/03/622768303.db2.gz RAYKABSLVGAJRI-LBPRGKRZSA-N 2 1 320.368 3.370 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000872073121 622790071 /nfs/dbraw/zinc/79/00/71/622790071.db2.gz NCKCXTVHZVXVMK-NEPJUHHUSA-N 2 1 311.451 3.165 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000873141762 623048523 /nfs/dbraw/zinc/04/85/23/623048523.db2.gz KIPVTNVHHDVSHF-OAHLLOKOSA-N 2 1 305.422 3.033 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000873141762 623048530 /nfs/dbraw/zinc/04/85/30/623048530.db2.gz KIPVTNVHHDVSHF-OAHLLOKOSA-N 2 1 305.422 3.033 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000873141762 623048536 /nfs/dbraw/zinc/04/85/36/623048536.db2.gz KIPVTNVHHDVSHF-OAHLLOKOSA-N 2 1 305.422 3.033 20 5 DGBDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000873222888 623079877 /nfs/dbraw/zinc/07/98/77/623079877.db2.gz DIKZVVOTCHZZNJ-POZKEBTKSA-N 2 1 317.433 3.305 20 5 DGBDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000873222887 623080089 /nfs/dbraw/zinc/08/00/89/623080089.db2.gz DIKZVVOTCHZZNJ-JHTBKMLMSA-N 2 1 317.433 3.305 20 5 DGBDMP C[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788739711 625255212 /nfs/dbraw/zinc/25/52/12/625255212.db2.gz NUEVGCVJZKUMRS-ZIAGYGMSSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868139 627211650 /nfs/dbraw/zinc/21/16/50/627211650.db2.gz WJTDJUWIQKQTFE-RHSMWYFYSA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868139 627211652 /nfs/dbraw/zinc/21/16/52/627211652.db2.gz WJTDJUWIQKQTFE-RHSMWYFYSA-N 2 1 303.406 3.121 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000105442940 630712191 /nfs/dbraw/zinc/71/21/91/630712191.db2.gz BMKZRUQPZRFJHT-LLVKDONJSA-N 2 1 322.796 3.179 20 5 DGBDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001352111441 1180297577 /nfs/dbraw/zinc/29/75/77/1180297577.db2.gz GIQWYUZLZPHGFK-YESZJQIVSA-N 2 1 317.433 3.065 20 5 DGBDMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560812665 1189386030 /nfs/dbraw/zinc/38/60/30/1189386030.db2.gz ZWHDISJUKPGOMW-UHFFFAOYSA-N 2 1 307.438 3.375 20 5 DGBDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC001655436034 1195917073 /nfs/dbraw/zinc/91/70/73/1195917073.db2.gz FWIYXODUTFLMTD-UHFFFAOYSA-N 2 1 323.412 3.432 20 5 DGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC001655436034 1195917075 /nfs/dbraw/zinc/91/70/75/1195917075.db2.gz FWIYXODUTFLMTD-UHFFFAOYSA-N 2 1 323.412 3.432 20 5 DGBDMP Cc1c(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369699 1196476444 /nfs/dbraw/zinc/47/64/44/1196476444.db2.gz JSWMYLVUOSDNAR-PBHICJAKSA-N 2 1 319.449 3.455 20 5 DGBDMP Cc1c(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369699 1196476447 /nfs/dbraw/zinc/47/64/47/1196476447.db2.gz JSWMYLVUOSDNAR-PBHICJAKSA-N 2 1 319.449 3.455 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596022 1196910822 /nfs/dbraw/zinc/91/08/22/1196910822.db2.gz VUEPURWVOCGLFI-PBHICJAKSA-N 2 1 319.449 3.374 20 5 DGBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596022 1196910823 /nfs/dbraw/zinc/91/08/23/1196910823.db2.gz VUEPURWVOCGLFI-PBHICJAKSA-N 2 1 319.449 3.374 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596022 1196910825 /nfs/dbraw/zinc/91/08/25/1196910825.db2.gz VUEPURWVOCGLFI-PBHICJAKSA-N 2 1 319.449 3.374 20 5 DGBDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCC[N+](C)(C)C ZINC001224618438 1096247539 /nfs/dbraw/zinc/24/75/39/1096247539.db2.gz HHBWPKGYRYSBCU-IEBWSBKVSA-N 2 1 305.486 3.010 20 5 DGBDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[N+](C)(C)C ZINC001224618439 1096247813 /nfs/dbraw/zinc/24/78/13/1096247813.db2.gz HHBWPKGYRYSBCU-MJGOQNOKSA-N 2 1 305.486 3.010 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246463594 1104549460 /nfs/dbraw/zinc/54/94/60/1104549460.db2.gz WDBDMEIGSCTRJT-KBXCAEBGSA-N 2 1 317.433 3.038 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246463595 1104549842 /nfs/dbraw/zinc/54/98/42/1104549842.db2.gz WDBDMEIGSCTRJT-RDTXWAMCSA-N 2 1 317.433 3.038 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001254539694 1106098827 /nfs/dbraw/zinc/09/88/27/1106098827.db2.gz JOHNESYAACAXMI-MXASKKJJSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001254539694 1106098831 /nfs/dbraw/zinc/09/88/31/1106098831.db2.gz JOHNESYAACAXMI-MXASKKJJSA-N 2 1 317.433 3.131 20 5 DGBDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382646 1108439006 /nfs/dbraw/zinc/43/90/06/1108439006.db2.gz HYMHNUGTKQKADK-WMLDXEAASA-N 2 1 305.422 3.367 20 5 DGBDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308593371 1111448543 /nfs/dbraw/zinc/44/85/43/1111448543.db2.gz HPEHWQGRJAWRDJ-MRXNPFEDSA-N 2 1 319.449 3.375 20 5 DGBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308593371 1111448544 /nfs/dbraw/zinc/44/85/44/1111448544.db2.gz HPEHWQGRJAWRDJ-MRXNPFEDSA-N 2 1 319.449 3.375 20 5 DGBDMP C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000174847215 198393450 /nfs/dbraw/zinc/39/34/50/198393450.db2.gz WZVVXOKJQBOVPQ-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435395886 238300509 /nfs/dbraw/zinc/30/05/09/238300509.db2.gz VQTHSSXGVCXOHN-LBPRGKRZSA-N 2 1 317.414 3.104 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130738 240030655 /nfs/dbraw/zinc/03/06/55/240030655.db2.gz HOWRWEOZUUSZKD-HOTGVXAUSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000468626694 244056739 /nfs/dbraw/zinc/05/67/39/244056739.db2.gz HYKPPCANZLLOGX-JMPLCFMRSA-N 2 1 317.433 3.462 20 5 DGBDMP C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000121585409 284201655 /nfs/dbraw/zinc/20/16/55/284201655.db2.gz HELRPGQNRJUDJQ-HUUCEWRRSA-N 2 1 305.422 3.367 20 5 DGBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000093659940 400251410 /nfs/dbraw/zinc/25/14/10/400251410.db2.gz GVFJOUPLDPHVNB-UGAXZCSASA-N 2 1 317.433 3.414 20 5 DGBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000093659940 400251413 /nfs/dbraw/zinc/25/14/13/400251413.db2.gz GVFJOUPLDPHVNB-UGAXZCSASA-N 2 1 317.433 3.414 20 5 DGBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@@H+]1C ZINC000093659940 400251418 /nfs/dbraw/zinc/25/14/18/400251418.db2.gz GVFJOUPLDPHVNB-UGAXZCSASA-N 2 1 317.433 3.414 20 5 DGBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@H+]1C ZINC000093659940 400251423 /nfs/dbraw/zinc/25/14/23/400251423.db2.gz GVFJOUPLDPHVNB-UGAXZCSASA-N 2 1 317.433 3.414 20 5 DGBDMP Cc1c(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cccc1[N+](=O)[O-] ZINC000595904612 400290908 /nfs/dbraw/zinc/29/09/08/400290908.db2.gz IQPBZJMOEHWTLN-CZUORRHYSA-N 2 1 305.422 3.243 20 5 DGBDMP C[C@@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599051691 400939203 /nfs/dbraw/zinc/93/92/03/400939203.db2.gz WAVUAUSDNUWFDH-DGCLKSJQSA-N 2 1 300.362 3.038 20 5 DGBDMP Cc1ccc([C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069291 400948238 /nfs/dbraw/zinc/94/82/38/400948238.db2.gz FBUASXQCMCUMCV-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069291 400948247 /nfs/dbraw/zinc/94/82/47/400948247.db2.gz FBUASXQCMCUMCV-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073494 400950632 /nfs/dbraw/zinc/95/06/32/400950632.db2.gz HBZFUGZAWQJIDI-DYVFJYSZSA-N 2 1 303.406 3.262 20 5 DGBDMP C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073493 400950810 /nfs/dbraw/zinc/95/08/10/400950810.db2.gz HBZFUGZAWQJIDI-CXAGYDPISA-N 2 1 303.406 3.262 20 5 DGBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247098159 432201748 /nfs/dbraw/zinc/20/17/48/432201748.db2.gz PXDBTDDYQQRRES-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000247098159 432201751 /nfs/dbraw/zinc/20/17/51/432201751.db2.gz PXDBTDDYQQRRES-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247111850 432203183 /nfs/dbraw/zinc/20/31/83/432203183.db2.gz TVCNZAULTDSVFP-RHSMWYFYSA-N 2 1 319.449 3.236 20 5 DGBDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247111850 432203187 /nfs/dbraw/zinc/20/31/87/432203187.db2.gz TVCNZAULTDSVFP-RHSMWYFYSA-N 2 1 319.449 3.236 20 5 DGBDMP CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000347017064 264141426 /nfs/dbraw/zinc/14/14/26/264141426.db2.gz DGPKIYOTFJMDON-FNORWQNLSA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1[NH3+] ZINC000347043366 264146263 /nfs/dbraw/zinc/14/62/63/264146263.db2.gz MEKYLUPSNFMDDB-WBMJQRKESA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1[NH3+] ZINC000347043366 264146265 /nfs/dbraw/zinc/14/62/65/264146265.db2.gz MEKYLUPSNFMDDB-WBMJQRKESA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000347140044 264163862 /nfs/dbraw/zinc/16/38/62/264163862.db2.gz VYYBXBCSMFYITF-DOMZBBRYSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000347140044 264163864 /nfs/dbraw/zinc/16/38/64/264163864.db2.gz VYYBXBCSMFYITF-DOMZBBRYSA-N 2 1 315.373 3.024 20 5 DGBDMP Cc1nccn1CCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352564791 265090784 /nfs/dbraw/zinc/09/07/84/265090784.db2.gz WUOPQDRYFZJJCI-UHFFFAOYSA-N 2 1 316.405 3.054 20 5 DGBDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352564791 265090786 /nfs/dbraw/zinc/09/07/86/265090786.db2.gz WUOPQDRYFZJJCI-UHFFFAOYSA-N 2 1 316.405 3.054 20 5 DGBDMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352564791 265090790 /nfs/dbraw/zinc/09/07/90/265090790.db2.gz WUOPQDRYFZJJCI-UHFFFAOYSA-N 2 1 316.405 3.054 20 5 DGBDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279144468 277023177 /nfs/dbraw/zinc/02/31/77/277023177.db2.gz SEGIHZMHQZLDET-QGZVFWFLSA-N 2 1 315.417 3.169 20 5 DGBDMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827339 279037081 /nfs/dbraw/zinc/03/70/81/279037081.db2.gz KYSJMJIAVXXARN-GJZGRUSLSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827339 279037084 /nfs/dbraw/zinc/03/70/84/279037084.db2.gz KYSJMJIAVXXARN-GJZGRUSLSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827339 279037086 /nfs/dbraw/zinc/03/70/86/279037086.db2.gz KYSJMJIAVXXARN-GJZGRUSLSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827339 279037088 /nfs/dbraw/zinc/03/70/88/279037088.db2.gz KYSJMJIAVXXARN-GJZGRUSLSA-N 2 1 305.422 3.238 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000092253672 431908727 /nfs/dbraw/zinc/90/87/27/431908727.db2.gz XFFXYEAGEPRDOQ-MRXNPFEDSA-N 2 1 319.449 3.492 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000092253672 431908729 /nfs/dbraw/zinc/90/87/29/431908729.db2.gz XFFXYEAGEPRDOQ-MRXNPFEDSA-N 2 1 319.449 3.492 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253672 431908730 /nfs/dbraw/zinc/90/87/30/431908730.db2.gz XFFXYEAGEPRDOQ-MRXNPFEDSA-N 2 1 319.449 3.492 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253672 431908732 /nfs/dbraw/zinc/90/87/32/431908732.db2.gz XFFXYEAGEPRDOQ-MRXNPFEDSA-N 2 1 319.449 3.492 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657975 432398884 /nfs/dbraw/zinc/39/88/84/432398884.db2.gz QWAJBGVOHCTSDF-ACJLOTCBSA-N 2 1 315.417 3.046 20 5 DGBDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261609926 432432247 /nfs/dbraw/zinc/43/22/47/432432247.db2.gz BUWNJOAISCJANF-KRWDZBQOSA-N 2 1 315.373 3.026 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000161619150 432789038 /nfs/dbraw/zinc/78/90/38/432789038.db2.gz NWGCBKZEUQGQCU-CQSZACIVSA-N 2 1 305.422 3.428 20 5 DGBDMP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1ccnc1 ZINC000276311556 432794809 /nfs/dbraw/zinc/79/48/09/432794809.db2.gz MLPKTBBKBISCTF-LRDDRELGSA-N 2 1 318.352 3.014 20 5 DGBDMP C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1ccnc1 ZINC000276311556 432794813 /nfs/dbraw/zinc/79/48/13/432794813.db2.gz MLPKTBBKBISCTF-LRDDRELGSA-N 2 1 318.352 3.014 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000331987540 432966144 /nfs/dbraw/zinc/96/61/44/432966144.db2.gz MCJKZRLBYXVIHF-XHBSWPGZSA-N 2 1 303.406 3.047 20 5 DGBDMP Cc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000290525308 433079483 /nfs/dbraw/zinc/07/94/83/433079483.db2.gz QGFFLMLQKRUYCE-QGZVFWFLSA-N 2 1 317.433 3.067 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322431 433165939 /nfs/dbraw/zinc/16/59/39/433165939.db2.gz FCYVHTWCIBPEDQ-QWHCGFSZSA-N 2 1 323.824 3.070 20 5 DGBDMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536912 433216460 /nfs/dbraw/zinc/21/64/60/433216460.db2.gz RDOBNCHAJDAKTR-KRWDZBQOSA-N 2 1 305.422 3.292 20 5 DGBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536912 433216464 /nfs/dbraw/zinc/21/64/64/433216464.db2.gz RDOBNCHAJDAKTR-KRWDZBQOSA-N 2 1 305.422 3.292 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357079892 433857007 /nfs/dbraw/zinc/85/70/07/433857007.db2.gz LRODSLBZVPJWBW-ZDUSSCGKSA-N 2 1 323.824 3.070 20 5 DGBDMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000423185755 434272770 /nfs/dbraw/zinc/27/27/70/434272770.db2.gz WCTCWHFIDYCTLG-MRXNPFEDSA-N 2 1 303.406 3.223 20 5 DGBDMP CC1(C)C[C@H]([NH2+]CCC[NH2+]C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423556763 434491485 /nfs/dbraw/zinc/49/14/85/434491485.db2.gz MQFAZCWUYXJWSC-INIZCTEOSA-N 2 1 303.406 3.049 20 5 DGBDMP CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000554883316 434950861 /nfs/dbraw/zinc/95/08/61/434950861.db2.gz BPIQNICYMKKIRB-JXMROGBWSA-N 2 1 305.422 3.272 20 5 DGBDMP CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000554883316 434950864 /nfs/dbraw/zinc/95/08/64/434950864.db2.gz BPIQNICYMKKIRB-JXMROGBWSA-N 2 1 305.422 3.272 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000531945192 435129521 /nfs/dbraw/zinc/12/95/21/435129521.db2.gz HHCFOMYSLBDBMG-HNNXBMFYSA-N 2 1 305.422 3.430 20 5 DGBDMP CCC[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240062 435151328 /nfs/dbraw/zinc/15/13/28/435151328.db2.gz GNVDNJUIJYJBFP-PBHICJAKSA-N 2 1 305.422 3.367 20 5 DGBDMP CCC[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240062 435151335 /nfs/dbraw/zinc/15/13/35/435151335.db2.gz GNVDNJUIJYJBFP-PBHICJAKSA-N 2 1 305.422 3.367 20 5 DGBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420156 435823263 /nfs/dbraw/zinc/82/32/63/435823263.db2.gz NOILVXFTIOVVMZ-GXTWGEPZSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000572420156 435823267 /nfs/dbraw/zinc/82/32/67/435823267.db2.gz NOILVXFTIOVVMZ-GXTWGEPZSA-N 2 1 315.373 3.166 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000576742579 316161932 /nfs/dbraw/zinc/16/19/32/316161932.db2.gz VKUCKXQHLJBEFH-NQUDRAQSSA-N 2 1 317.433 3.318 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000872036663 622766787 /nfs/dbraw/zinc/76/67/87/622766787.db2.gz UTSJMGJMNWRAOP-CHWSQXEVSA-N 2 1 323.462 3.309 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000872036663 622766793 /nfs/dbraw/zinc/76/67/93/622766793.db2.gz UTSJMGJMNWRAOP-CHWSQXEVSA-N 2 1 323.462 3.309 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000873130763 623043558 /nfs/dbraw/zinc/04/35/58/623043558.db2.gz JUYNMFHDCYSJOS-UHFFFAOYSA-N 2 1 305.422 3.176 20 5 DGBDMP Cc1c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873139519 623047652 /nfs/dbraw/zinc/04/76/52/623047652.db2.gz CJRQBDKHNQXKTI-MRXNPFEDSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873139519 623047659 /nfs/dbraw/zinc/04/76/59/623047659.db2.gz CJRQBDKHNQXKTI-MRXNPFEDSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000873139519 623047665 /nfs/dbraw/zinc/04/76/65/623047665.db2.gz CJRQBDKHNQXKTI-MRXNPFEDSA-N 2 1 317.433 3.115 20 5 DGBDMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000788609940 625226661 /nfs/dbraw/zinc/22/66/61/625226661.db2.gz KHBFEELCURSIFJ-CQSZACIVSA-N 2 1 322.453 3.337 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Cl ZINC000843124848 630616723 /nfs/dbraw/zinc/61/67/23/630616723.db2.gz JGVOZCFRLPVTBF-KGLIPLIRSA-N 2 1 323.824 3.070 20 5 DGBDMP CC(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC001644259047 1195093725 /nfs/dbraw/zinc/09/37/25/1195093725.db2.gz XLHOHCBBBSAJAQ-UHFFFAOYSA-N 2 1 319.449 3.395 20 5 DGBDMP Cc1c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001661991710 1196673125 /nfs/dbraw/zinc/67/31/25/1196673125.db2.gz OLCHDKYCKYOEDV-MRXNPFEDSA-N 2 1 319.449 3.361 20 5 DGBDMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001661991710 1196673127 /nfs/dbraw/zinc/67/31/27/1196673127.db2.gz OLCHDKYCKYOEDV-MRXNPFEDSA-N 2 1 319.449 3.361 20 5 DGBDMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205117339 1091106668 /nfs/dbraw/zinc/10/66/68/1091106668.db2.gz OHJPMPBQGBNNCB-INIZCTEOSA-N 2 1 306.413 3.096 20 5 DGBDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1F ZINC001206188223 1091526441 /nfs/dbraw/zinc/52/64/41/1091526441.db2.gz UUQGDYPODMOERF-SJORKVTESA-N 2 1 324.403 3.044 20 5 DGBDMP C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001169054567 1092511381 /nfs/dbraw/zinc/51/13/81/1092511381.db2.gz MRINJYZXCNORNE-CRAIPNDOSA-N 2 1 323.481 3.161 20 5 DGBDMP C[N+](C)(C)CCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224622958 1096248707 /nfs/dbraw/zinc/24/87/07/1096248707.db2.gz JGLCJNCKJJFKQL-PMOLBWCYSA-N 2 1 317.497 3.295 20 5 DGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCC[N+](C)(C)C ZINC001224624837 1096248828 /nfs/dbraw/zinc/24/88/28/1096248828.db2.gz ZUPVSTJBIOPALF-IEBWSBKVSA-N 2 1 305.486 3.010 20 5 DGBDMP C[N+](C)(C)CCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001224621699 1096249112 /nfs/dbraw/zinc/24/91/12/1096249112.db2.gz ZNKRGKJWEXFJIU-QGZVFWFLSA-N 2 1 311.877 3.027 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001173217098 1097368965 /nfs/dbraw/zinc/36/89/65/1097368965.db2.gz LLKMKRAQCQLBEO-JKSUJKDBSA-N 2 1 319.449 3.380 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327004217 1103496979 /nfs/dbraw/zinc/49/69/79/1103496979.db2.gz IQJPKMKXQDBNEW-UHFFFAOYSA-N 2 1 323.824 3.214 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001254548692 1106101397 /nfs/dbraw/zinc/10/13/97/1106101397.db2.gz KOEKONDCBPWAID-HZPDHXFCSA-N 2 1 319.449 3.367 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001254563943 1106105298 /nfs/dbraw/zinc/10/52/98/1106105298.db2.gz HADYCSXCMRBWHR-ZDUSSCGKSA-N 2 1 314.389 3.062 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319201281 1108362897 /nfs/dbraw/zinc/36/28/97/1108362897.db2.gz OPZZQNJNVKGQNG-HFTRVMKXSA-N 2 1 319.449 3.378 20 5 DGBDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC001319382642 1108438927 /nfs/dbraw/zinc/43/89/27/1108438927.db2.gz HYMHNUGTKQKADK-PBHICJAKSA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449160612 240044232 /nfs/dbraw/zinc/04/42/32/240044232.db2.gz CAYPINDBCPCMQB-AWEZNQCLSA-N 2 1 316.405 3.101 20 5 DGBDMP CC[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000468626692 244056364 /nfs/dbraw/zinc/05/63/64/244056364.db2.gz HYKPPCANZLLOGX-HKBKRHGFSA-N 2 1 317.433 3.462 20 5 DGBDMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000268855395 207023021 /nfs/dbraw/zinc/02/30/21/207023021.db2.gz ZCCXAUKYDIGHLQ-INIZCTEOSA-N 2 1 302.378 3.231 20 5 DGBDMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582670 400543006 /nfs/dbraw/zinc/54/30/06/400543006.db2.gz SSEBEHDJMKUTEI-ZBFHGGJFSA-N 2 1 303.406 3.310 20 5 DGBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000591668410 400549064 /nfs/dbraw/zinc/54/90/64/400549064.db2.gz MMDKKLUCHFZCFS-GFCCVEGCSA-N 2 1 323.824 3.212 20 5 DGBDMP CC[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427658 400648647 /nfs/dbraw/zinc/64/86/47/400648647.db2.gz NNCJEYKMITWTQM-ZBFHGGJFSA-N 2 1 305.422 3.277 20 5 DGBDMP CC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592427658 400648652 /nfs/dbraw/zinc/64/86/52/400648652.db2.gz NNCJEYKMITWTQM-ZBFHGGJFSA-N 2 1 305.422 3.277 20 5 DGBDMP Cc1ccc([C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069289 400949157 /nfs/dbraw/zinc/94/91/57/400949157.db2.gz FBUASXQCMCUMCV-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069289 400949165 /nfs/dbraw/zinc/94/91/65/400949165.db2.gz FBUASXQCMCUMCV-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073957 400952494 /nfs/dbraw/zinc/95/24/94/400952494.db2.gz ODQQIYYFMPAQIX-GUYCJALGSA-N 2 1 303.406 3.262 20 5 DGBDMP CC(C)[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000359221027 286263709 /nfs/dbraw/zinc/26/37/09/286263709.db2.gz OJSCHEZATPDJSV-UHFFFAOYSA-N 2 1 305.422 3.195 20 5 DGBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000246842962 432172101 /nfs/dbraw/zinc/17/21/01/432172101.db2.gz CFJAEFSWEFTVPU-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000246842962 432172105 /nfs/dbraw/zinc/17/21/05/432172105.db2.gz CFJAEFSWEFTVPU-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346497835 264041870 /nfs/dbraw/zinc/04/18/70/264041870.db2.gz UVHPHWKHZIDYCH-CXAGYDPISA-N 2 1 313.357 3.204 20 5 DGBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346692953 264080406 /nfs/dbraw/zinc/08/04/06/264080406.db2.gz KACPPNIGXFBDAO-JSGCOSHPSA-N 2 1 315.373 3.024 20 5 DGBDMP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124166015 431885017 /nfs/dbraw/zinc/88/50/17/431885017.db2.gz DTUQAIBMLGUGGV-RHSMWYFYSA-N 2 1 305.422 3.367 20 5 DGBDMP C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701744 432526250 /nfs/dbraw/zinc/52/62/50/432526250.db2.gz GDNMASZEYPHWQA-HOCLYGCPSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185701744 432526253 /nfs/dbraw/zinc/52/62/53/432526253.db2.gz GDNMASZEYPHWQA-HOCLYGCPSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701744 432526254 /nfs/dbraw/zinc/52/62/54/432526254.db2.gz GDNMASZEYPHWQA-HOCLYGCPSA-N 2 1 317.433 3.337 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000279056007 432930236 /nfs/dbraw/zinc/93/02/36/432930236.db2.gz YLJFGKBGMIBHCM-UONOGXRCSA-N 2 1 314.389 3.013 20 5 DGBDMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166121 433844634 /nfs/dbraw/zinc/84/46/34/433844634.db2.gz WWNFJNXMXHBWHS-MLGOLLRUSA-N 2 1 305.422 3.247 20 5 DGBDMP CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]CC1 ZINC000414946972 433929363 /nfs/dbraw/zinc/92/93/63/433929363.db2.gz VHPAQQHQAWSPEU-UHFFFAOYSA-N 2 1 315.373 3.087 20 5 DGBDMP COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422944264 434127648 /nfs/dbraw/zinc/12/76/48/434127648.db2.gz LFAUKJPJBQQFSV-UKRRQHHQSA-N 2 1 321.421 3.004 20 5 DGBDMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000477919822 435286155 /nfs/dbraw/zinc/28/61/55/435286155.db2.gz XRNUGBHQDMQOHU-AWEZNQCLSA-N 2 1 305.422 3.367 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000565769024 315286127 /nfs/dbraw/zinc/28/61/27/315286127.db2.gz AYVVQKDNNPVCMF-ZDUSSCGKSA-N 2 1 309.410 3.032 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000574899339 316013595 /nfs/dbraw/zinc/01/35/95/316013595.db2.gz HPTAYGKZNKSGQH-CQSZACIVSA-N 2 1 305.422 3.428 20 5 DGBDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000903244873 619743543 /nfs/dbraw/zinc/74/35/43/619743543.db2.gz FWBAFUCHHCXDFS-DZUCGIPZSA-N 2 1 317.433 3.161 20 5 DGBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cs1 ZINC000923503051 621188869 /nfs/dbraw/zinc/18/88/69/621188869.db2.gz FOOMBXIYOSVTQG-CQSZACIVSA-N 2 1 323.462 3.258 20 5 DGBDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873020497 623018568 /nfs/dbraw/zinc/01/85/68/623018568.db2.gz UOJODSBNCDFCOG-HNNXBMFYSA-N 2 1 305.422 3.033 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873020497 623018573 /nfs/dbraw/zinc/01/85/73/623018573.db2.gz UOJODSBNCDFCOG-HNNXBMFYSA-N 2 1 305.422 3.033 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877739901 624012076 /nfs/dbraw/zinc/01/20/76/624012076.db2.gz ICUWQCJBQPBBGK-JBQASTCHSA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739901 624012079 /nfs/dbraw/zinc/01/20/79/624012079.db2.gz ICUWQCJBQPBBGK-JBQASTCHSA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739901 624012083 /nfs/dbraw/zinc/01/20/83/624012083.db2.gz ICUWQCJBQPBBGK-JBQASTCHSA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739901 624012085 /nfs/dbraw/zinc/01/20/85/624012085.db2.gz ICUWQCJBQPBBGK-JBQASTCHSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000878865934 624375979 /nfs/dbraw/zinc/37/59/79/624375979.db2.gz FSVLQBIVQWKSPD-UHFFFAOYSA-N 2 1 323.824 3.166 20 5 DGBDMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788739710 625254973 /nfs/dbraw/zinc/25/49/73/625254973.db2.gz NUEVGCVJZKUMRS-UONOGXRCSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@@H]1CC2(C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl)CC[NH2+]CC2 ZINC000818340394 628015830 /nfs/dbraw/zinc/01/58/30/628015830.db2.gz LSXFUMLXCUXYKV-GFCCVEGCSA-N 2 1 323.824 3.212 20 5 DGBDMP C[N@@H+](CCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000835063953 629842266 /nfs/dbraw/zinc/84/22/66/629842266.db2.gz SDGDXXJBDWNRGI-UHFFFAOYSA-N 2 1 311.813 3.212 20 5 DGBDMP [NH3+]C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000843065107 630610656 /nfs/dbraw/zinc/61/06/56/630610656.db2.gz IZDXTFMULJXDLL-QGZVFWFLSA-N 2 1 306.409 3.153 20 5 DGBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000843065107 630610658 /nfs/dbraw/zinc/61/06/58/630610658.db2.gz IZDXTFMULJXDLL-QGZVFWFLSA-N 2 1 306.409 3.153 20 5 DGBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000852006985 632538179 /nfs/dbraw/zinc/53/81/79/632538179.db2.gz HPFUZUOLRLTUEZ-UHFFFAOYSA-N 2 1 321.396 3.042 20 5 DGBDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001620533358 1193776506 /nfs/dbraw/zinc/77/65/06/1193776506.db2.gz MYLOVSVKCKDOII-UHFFFAOYSA-N 2 1 323.412 3.432 20 5 DGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001620533358 1193776510 /nfs/dbraw/zinc/77/65/10/1193776510.db2.gz MYLOVSVKCKDOII-UHFFFAOYSA-N 2 1 323.412 3.432 20 5 DGBDMP O=[N+]([O-])c1ccc(CCN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206715484 1090607976 /nfs/dbraw/zinc/60/79/76/1090607976.db2.gz SLOXHRCIPHTSMX-INIZCTEOSA-N 2 1 317.433 3.134 20 5 DGBDMP O=[N+]([O-])c1ccc(CCN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206715484 1090607981 /nfs/dbraw/zinc/60/79/81/1090607981.db2.gz SLOXHRCIPHTSMX-INIZCTEOSA-N 2 1 317.433 3.134 20 5 DGBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206715484 1090607984 /nfs/dbraw/zinc/60/79/84/1090607984.db2.gz SLOXHRCIPHTSMX-INIZCTEOSA-N 2 1 317.433 3.134 20 5 DGBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206715484 1090607988 /nfs/dbraw/zinc/60/79/88/1090607988.db2.gz SLOXHRCIPHTSMX-INIZCTEOSA-N 2 1 317.433 3.134 20 5 DGBDMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899569 1097267397 /nfs/dbraw/zinc/26/73/97/1097267397.db2.gz APSLUNRWVQARAN-CGZBRXJRSA-N 2 1 317.433 3.044 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246646037 1104644332 /nfs/dbraw/zinc/64/43/32/1104644332.db2.gz GIAVBYLSGGYDAV-HNNXBMFYSA-N 2 1 317.433 3.134 20 5 DGBDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094558 1105887542 /nfs/dbraw/zinc/88/75/42/1105887542.db2.gz FDPNQEAVDRPVKP-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094558 1105887546 /nfs/dbraw/zinc/88/75/46/1105887546.db2.gz FDPNQEAVDRPVKP-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254534731 1106095872 /nfs/dbraw/zinc/09/58/72/1106095872.db2.gz CDNKDNYXWFNGLD-HNNXBMFYSA-N 2 1 307.438 3.237 20 5 DGBDMP CC(C)[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254588170 1106109288 /nfs/dbraw/zinc/10/92/88/1106109288.db2.gz VTUWMGARKYPABF-JFIYKMOQSA-N 2 1 317.433 3.042 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319201282 1108362746 /nfs/dbraw/zinc/36/27/46/1108362746.db2.gz OPZZQNJNVKGQNG-KYJSFNMBSA-N 2 1 319.449 3.378 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178700105 198914450 /nfs/dbraw/zinc/91/44/50/198914450.db2.gz HAJROBNWSQHFTR-JSGCOSHPSA-N 2 1 316.405 3.395 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000449172152 240050759 /nfs/dbraw/zinc/05/07/59/240050759.db2.gz JOHNESYAACAXMI-HZTRTUMWSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000449172152 240050763 /nfs/dbraw/zinc/05/07/63/240050763.db2.gz JOHNESYAACAXMI-HZTRTUMWSA-N 2 1 317.433 3.131 20 5 DGBDMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329131 240135025 /nfs/dbraw/zinc/13/50/25/240135025.db2.gz MNQIRIVSXAITGF-CABCVRRESA-N 2 1 307.438 3.236 20 5 DGBDMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329131 240135031 /nfs/dbraw/zinc/13/50/31/240135031.db2.gz MNQIRIVSXAITGF-CABCVRRESA-N 2 1 307.438 3.236 20 5 DGBDMP CC[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000468626693 244057156 /nfs/dbraw/zinc/05/71/56/244057156.db2.gz HYKPPCANZLLOGX-JBXOJTMHSA-N 2 1 317.433 3.462 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268908333 207077330 /nfs/dbraw/zinc/07/73/30/207077330.db2.gz YDTQGAUNLGQCIX-AWEZNQCLSA-N 2 1 316.405 3.101 20 5 DGBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289897854 221301902 /nfs/dbraw/zinc/30/19/02/221301902.db2.gz WQUXMLLCQLVBFC-SPCSRVOQSA-N 2 1 315.417 3.165 20 5 DGBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289897854 221301905 /nfs/dbraw/zinc/30/19/05/221301905.db2.gz WQUXMLLCQLVBFC-SPCSRVOQSA-N 2 1 315.417 3.165 20 5 DGBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289897854 221301907 /nfs/dbraw/zinc/30/19/07/221301907.db2.gz WQUXMLLCQLVBFC-SPCSRVOQSA-N 2 1 315.417 3.165 20 5 DGBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289897854 221301909 /nfs/dbraw/zinc/30/19/09/221301909.db2.gz WQUXMLLCQLVBFC-SPCSRVOQSA-N 2 1 315.417 3.165 20 5 DGBDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206585 400277212 /nfs/dbraw/zinc/27/72/12/400277212.db2.gz UAKAMMGDWAIGKK-BDLCJYEQSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206585 400277215 /nfs/dbraw/zinc/27/72/15/400277215.db2.gz UAKAMMGDWAIGKK-BDLCJYEQSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206585 400277219 /nfs/dbraw/zinc/27/72/19/400277219.db2.gz UAKAMMGDWAIGKK-BDLCJYEQSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589206585 400277224 /nfs/dbraw/zinc/27/72/24/400277224.db2.gz UAKAMMGDWAIGKK-BDLCJYEQSA-N 2 1 315.417 3.024 20 5 DGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058029 400306499 /nfs/dbraw/zinc/30/64/99/400306499.db2.gz BFNCBNJDGRMVPI-MRXNPFEDSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596058029 400306503 /nfs/dbraw/zinc/30/65/03/400306503.db2.gz BFNCBNJDGRMVPI-MRXNPFEDSA-N 2 1 317.433 3.115 20 5 DGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275682 400505311 /nfs/dbraw/zinc/50/53/11/400505311.db2.gz XCVSMHBQRRWCTQ-XIRDDKMYSA-N 2 1 317.433 3.038 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000591582608 400542432 /nfs/dbraw/zinc/54/24/32/400542432.db2.gz NUEUPFZUSBWEGA-KBPBESRZSA-N 2 1 303.406 3.229 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424294 400648400 /nfs/dbraw/zinc/64/84/00/400648400.db2.gz BKPFAWPRRVZBKV-UHFFFAOYSA-N 2 1 317.433 3.435 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424294 400648403 /nfs/dbraw/zinc/64/84/03/400648403.db2.gz BKPFAWPRRVZBKV-UHFFFAOYSA-N 2 1 317.433 3.435 20 5 DGBDMP CC1([NH3+])CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000592431553 400649549 /nfs/dbraw/zinc/64/95/49/400649549.db2.gz GMVVMDLEVRFSGW-UHFFFAOYSA-N 2 1 315.373 3.168 20 5 DGBDMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000593319671 400818308 /nfs/dbraw/zinc/81/83/08/400818308.db2.gz OIZPLJUPLZXPFE-LLVKDONJSA-N 2 1 303.337 3.043 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000598994789 400923143 /nfs/dbraw/zinc/92/31/43/400923143.db2.gz RZTYOCIFIQYHRP-MJSCBBHESA-N 2 1 317.433 3.320 20 5 DGBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000594490626 401078569 /nfs/dbraw/zinc/07/85/69/401078569.db2.gz NYTMXBPBURBBKS-INIZCTEOSA-N 2 1 303.406 3.048 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000269006179 432151309 /nfs/dbraw/zinc/15/13/09/432151309.db2.gz QNERRHXCWASOBY-IIAWOOMASA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000269006179 432151311 /nfs/dbraw/zinc/15/13/11/432151311.db2.gz QNERRHXCWASOBY-IIAWOOMASA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000269006179 432151316 /nfs/dbraw/zinc/15/13/16/432151316.db2.gz QNERRHXCWASOBY-IIAWOOMASA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000269006179 432151321 /nfs/dbraw/zinc/15/13/21/432151321.db2.gz QNERRHXCWASOBY-IIAWOOMASA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000269006179 432151324 /nfs/dbraw/zinc/15/13/24/432151324.db2.gz QNERRHXCWASOBY-IIAWOOMASA-N 2 1 303.406 3.072 20 5 DGBDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347060169 264149747 /nfs/dbraw/zinc/14/97/47/264149747.db2.gz XOBMCCMMDVEWNW-CYBMUJFWSA-N 2 1 315.373 3.026 20 5 DGBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331959 276212326 /nfs/dbraw/zinc/21/23/26/276212326.db2.gz WSFYCZAKVHKGCX-KBXCAEBGSA-N 2 1 317.433 3.294 20 5 DGBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415064728 278236914 /nfs/dbraw/zinc/23/69/14/278236914.db2.gz LHVDYNNMDCYNTE-XJKSGUPXSA-N 2 1 305.422 3.023 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000093089004 431913579 /nfs/dbraw/zinc/91/35/79/431913579.db2.gz SJJNJLPKAINCHQ-UHFFFAOYSA-N 2 1 319.449 3.492 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245531131 281021184 /nfs/dbraw/zinc/02/11/84/281021184.db2.gz SZFOKUSJQROTGM-HOTGVXAUSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245531131 281021187 /nfs/dbraw/zinc/02/11/87/281021187.db2.gz SZFOKUSJQROTGM-HOTGVXAUSA-N 2 1 317.433 3.382 20 5 DGBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C)CC1 ZINC000271176566 432344911 /nfs/dbraw/zinc/34/49/11/432344911.db2.gz VBNNFHXCALVBIJ-ZDUSSCGKSA-N 2 1 323.462 3.149 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000271353482 432379557 /nfs/dbraw/zinc/37/95/57/432379557.db2.gz YUSOYPDUHVAJPW-CPUCHLNUSA-N 2 1 314.389 3.435 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178255315 432712119 /nfs/dbraw/zinc/71/21/19/432712119.db2.gz GPVCDEQHGVCBIS-AWEZNQCLSA-N 2 1 317.433 3.428 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245531606 432840042 /nfs/dbraw/zinc/84/00/42/432840042.db2.gz TZKFFRQCUOWQMY-CABCVRRESA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000245531606 432840044 /nfs/dbraw/zinc/84/00/44/432840044.db2.gz TZKFFRQCUOWQMY-CABCVRRESA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000245531606 432840045 /nfs/dbraw/zinc/84/00/45/432840045.db2.gz TZKFFRQCUOWQMY-CABCVRRESA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000245531606 432840046 /nfs/dbraw/zinc/84/00/46/432840046.db2.gz TZKFFRQCUOWQMY-CABCVRRESA-N 2 1 305.422 3.238 20 5 DGBDMP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279044321 432929550 /nfs/dbraw/zinc/92/95/50/432929550.db2.gz JOJJUCOEBRZIEJ-MRXNPFEDSA-N 2 1 303.406 3.001 20 5 DGBDMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453396454 433154432 /nfs/dbraw/zinc/15/44/32/433154432.db2.gz IWUQMOZWPLXOBW-GOSISDBHSA-N 2 1 317.433 3.436 20 5 DGBDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574185 433101677 /nfs/dbraw/zinc/10/16/77/433101677.db2.gz UAKAMMGDWAIGKK-APRRPJGKSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574185 433101687 /nfs/dbraw/zinc/10/16/87/433101687.db2.gz UAKAMMGDWAIGKK-APRRPJGKSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574185 433101694 /nfs/dbraw/zinc/10/16/94/433101694.db2.gz UAKAMMGDWAIGKK-APRRPJGKSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574185 433101699 /nfs/dbraw/zinc/10/16/99/433101699.db2.gz UAKAMMGDWAIGKK-APRRPJGKSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574185 433101706 /nfs/dbraw/zinc/10/17/06/433101706.db2.gz UAKAMMGDWAIGKK-APRRPJGKSA-N 2 1 315.417 3.024 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322429 433164205 /nfs/dbraw/zinc/16/42/05/433164205.db2.gz FCYVHTWCIBPEDQ-CHWSQXEVSA-N 2 1 323.824 3.070 20 5 DGBDMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536913 433217686 /nfs/dbraw/zinc/21/76/86/433217686.db2.gz RDOBNCHAJDAKTR-QGZVFWFLSA-N 2 1 305.422 3.292 20 5 DGBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536913 433217695 /nfs/dbraw/zinc/21/76/95/433217695.db2.gz RDOBNCHAJDAKTR-QGZVFWFLSA-N 2 1 305.422 3.292 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000165302443 292878797 /nfs/dbraw/zinc/87/87/97/292878797.db2.gz VNZGFGHVIVESBT-UKRRQHHQSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000449063939 433721841 /nfs/dbraw/zinc/72/18/41/433721841.db2.gz RZZYNCDMMXLGKR-HZPDHXFCSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000449092105 433725768 /nfs/dbraw/zinc/72/57/68/433725768.db2.gz LHRHKMZQOYWXDI-OAGGEKHMSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000449092105 433725760 /nfs/dbraw/zinc/72/57/60/433725760.db2.gz LHRHKMZQOYWXDI-OAGGEKHMSA-N 2 1 319.449 3.236 20 5 DGBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414689693 433792325 /nfs/dbraw/zinc/79/23/25/433792325.db2.gz LVCOLRTTXYVQSM-GDBMZVCRSA-N 2 1 305.422 3.193 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000414948677 433930246 /nfs/dbraw/zinc/93/02/46/433930246.db2.gz MNRJMJYCEYDLOA-TZMCWYRMSA-N 2 1 315.373 3.085 20 5 DGBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423266803 434324287 /nfs/dbraw/zinc/32/42/87/434324287.db2.gz SFTKDRRLUHNBIS-OIISXLGYSA-N 2 1 319.449 3.269 20 5 DGBDMP Cc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077922 434606075 /nfs/dbraw/zinc/60/60/75/434606075.db2.gz KNIZUFASJSAXRL-QGZVFWFLSA-N 2 1 317.433 3.067 20 5 DGBDMP CC(C)[NH2+]CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000564649618 315188790 /nfs/dbraw/zinc/18/87/90/315188790.db2.gz CYFXWRIKJMCNRS-INIZCTEOSA-N 2 1 305.422 3.295 20 5 DGBDMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000564968846 315215652 /nfs/dbraw/zinc/21/56/52/315215652.db2.gz JEHCDJKEWCFMMI-UHFFFAOYSA-N 2 1 305.403 3.104 20 5 DGBDMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000575045369 316027378 /nfs/dbraw/zinc/02/73/78/316027378.db2.gz BHMHQROMRBURKM-UHFFFAOYSA-N 2 1 305.403 3.104 20 5 DGBDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543774 536389839 /nfs/dbraw/zinc/38/98/39/536389839.db2.gz CRQLBOKWMBNBTN-IRXDYDNUSA-N 2 1 317.433 3.259 20 5 DGBDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543774 536389843 /nfs/dbraw/zinc/38/98/43/536389843.db2.gz CRQLBOKWMBNBTN-IRXDYDNUSA-N 2 1 317.433 3.259 20 5 DGBDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543774 536389846 /nfs/dbraw/zinc/38/98/46/536389846.db2.gz CRQLBOKWMBNBTN-IRXDYDNUSA-N 2 1 317.433 3.259 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000419694700 546804700 /nfs/dbraw/zinc/80/47/00/546804700.db2.gz QNOCMRPWCUOUBW-HUUCEWRRSA-N 2 1 323.824 3.007 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893028665 618397348 /nfs/dbraw/zinc/39/73/48/618397348.db2.gz JKSCQHFNCZVHNO-UHFFFAOYSA-N 2 1 322.796 3.323 20 5 DGBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903883082 619828152 /nfs/dbraw/zinc/82/81/52/619828152.db2.gz FHBOCRJHUCNSQF-VHRNVKJDSA-N 2 1 315.417 3.090 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000904412692 619920973 /nfs/dbraw/zinc/92/09/73/619920973.db2.gz WJQFCIPTVWPDNW-HIFRSBDPSA-N 2 1 305.422 3.135 20 5 DGBDMP C[N@H+]1CCCC[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000858246072 621167953 /nfs/dbraw/zinc/16/79/53/621167953.db2.gz TXMDBOPHERMDTQ-GFCCVEGCSA-N 2 1 311.813 3.070 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872032662 622763949 /nfs/dbraw/zinc/76/39/49/622763949.db2.gz XONMARZHAWHQKJ-NWDGAFQWSA-N 2 1 320.368 3.226 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873043762 623024754 /nfs/dbraw/zinc/02/47/54/623024754.db2.gz SITOYAIDSZHCEG-LBPRGKRZSA-N 2 1 316.405 3.142 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000873063234 623028999 /nfs/dbraw/zinc/02/89/99/623028999.db2.gz ODLYNXPFTKZSFU-MQVJKMGUSA-N 2 1 317.433 3.317 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000873130253 623042762 /nfs/dbraw/zinc/04/27/62/623042762.db2.gz CGDDNPPJMCEKBD-OAHLLOKOSA-N 2 1 305.422 3.033 20 5 DGBDMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000796840404 626088731 /nfs/dbraw/zinc/08/87/31/626088731.db2.gz WWENWQIQBNJRRV-CWRNSKLLSA-N 2 1 323.824 3.211 20 5 DGBDMP C[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000796840404 626088732 /nfs/dbraw/zinc/08/87/32/626088732.db2.gz WWENWQIQBNJRRV-CWRNSKLLSA-N 2 1 323.824 3.211 20 5 DGBDMP CCC1([NH3+])CC[NH+]([C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000925761343 627790672 /nfs/dbraw/zinc/79/06/72/627790672.db2.gz ZWYYQEWEDLQYJP-MRXNPFEDSA-N 2 1 303.406 3.176 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001620780087 1191863113 /nfs/dbraw/zinc/86/31/13/1191863113.db2.gz YWCJQABUBIJCIJ-INIZCTEOSA-N 2 1 319.449 3.422 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001620780087 1191863114 /nfs/dbraw/zinc/86/31/14/1191863114.db2.gz YWCJQABUBIJCIJ-INIZCTEOSA-N 2 1 319.449 3.422 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734923 1191990070 /nfs/dbraw/zinc/99/00/70/1191990070.db2.gz SZTLKAOYJZAUKM-MAUKXSAKSA-N 2 1 317.433 3.163 20 5 DGBDMP [NH3+]C[C@H]1CC[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001580331261 1192021782 /nfs/dbraw/zinc/02/17/82/1192021782.db2.gz IJAQAWLFKCVYJX-SHTZXODSSA-N 2 1 317.433 3.324 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576315829 1191560222 /nfs/dbraw/zinc/56/02/22/1191560222.db2.gz MWJCPQVUPAKYSK-JKIFEVAISA-N 2 1 303.406 3.107 20 5 DGBDMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576380729 1191578176 /nfs/dbraw/zinc/57/81/76/1191578176.db2.gz XPNMAWPCGKBOHG-HOTGVXAUSA-N 2 1 315.373 3.070 20 5 DGBDMP CC[NH+]1CCC(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC001658258980 1196230684 /nfs/dbraw/zinc/23/06/84/1196230684.db2.gz KVOSXMPDLZPLQO-UHFFFAOYSA-N 2 1 317.433 3.291 20 5 DGBDMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CCCCC2)CC1 ZINC001168998325 1092479470 /nfs/dbraw/zinc/47/94/70/1092479470.db2.gz LHMKKGZDHUHXDP-LAQRGFTBSA-N 2 1 323.481 3.336 20 5 DGBDMP CC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001178204623 1098746731 /nfs/dbraw/zinc/74/67/31/1098746731.db2.gz KUWSZCGKNSCPLJ-HLLBOEOZSA-N 2 1 303.406 3.262 20 5 DGBDMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246496711 1104565310 /nfs/dbraw/zinc/56/53/10/1104565310.db2.gz PLEZEOYKQGUBGH-CQSZACIVSA-N 2 1 307.438 3.413 20 5 DGBDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094557 1105887506 /nfs/dbraw/zinc/88/75/06/1105887506.db2.gz FDPNQEAVDRPVKP-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001253094557 1105887510 /nfs/dbraw/zinc/88/75/10/1105887510.db2.gz FDPNQEAVDRPVKP-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000165301962 432054251 /nfs/dbraw/zinc/05/42/51/432054251.db2.gz MLBCKPXSZKHDMQ-UKRRQHHQSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000449081463 240009587 /nfs/dbraw/zinc/00/95/87/240009587.db2.gz FMCNIHAOWQBLSI-OWCLPIDISA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000449081463 240009589 /nfs/dbraw/zinc/00/95/89/240009589.db2.gz FMCNIHAOWQBLSI-OWCLPIDISA-N 2 1 319.449 3.236 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000092253673 193180200 /nfs/dbraw/zinc/18/02/00/193180200.db2.gz XFFXYEAGEPRDOQ-INIZCTEOSA-N 2 1 319.449 3.492 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1[N+](=O)[O-] ZINC000092253673 193180202 /nfs/dbraw/zinc/18/02/02/193180202.db2.gz XFFXYEAGEPRDOQ-INIZCTEOSA-N 2 1 319.449 3.492 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253673 193180204 /nfs/dbraw/zinc/18/02/04/193180204.db2.gz XFFXYEAGEPRDOQ-INIZCTEOSA-N 2 1 319.449 3.492 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000092253673 193180205 /nfs/dbraw/zinc/18/02/05/193180205.db2.gz XFFXYEAGEPRDOQ-INIZCTEOSA-N 2 1 319.449 3.492 20 5 DGBDMP C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000121585090 284201525 /nfs/dbraw/zinc/20/15/25/284201525.db2.gz HELRPGQNRJUDJQ-CABCVRRESA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268908334 207078177 /nfs/dbraw/zinc/07/81/77/207078177.db2.gz YDTQGAUNLGQCIX-CQSZACIVSA-N 2 1 316.405 3.101 20 5 DGBDMP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601124261 400240090 /nfs/dbraw/zinc/24/00/90/400240090.db2.gz CQPKEUBYQWPUFU-AWEZNQCLSA-N 2 1 314.389 3.064 20 5 DGBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000592493896 400658337 /nfs/dbraw/zinc/65/83/37/400658337.db2.gz HSHIRKGSTVTXAS-UHFFFAOYSA-N 2 1 317.433 3.339 20 5 DGBDMP C[N@H+]1CCC[C@H](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086473 400954762 /nfs/dbraw/zinc/95/47/62/400954762.db2.gz OCSZEDZUTHXLGU-CYBMUJFWSA-N 2 1 314.389 3.287 20 5 DGBDMP Cc1ccc([C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069290 400948107 /nfs/dbraw/zinc/94/81/07/400948107.db2.gz FBUASXQCMCUMCV-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069290 400948116 /nfs/dbraw/zinc/94/81/16/400948116.db2.gz FBUASXQCMCUMCV-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599069310 400948371 /nfs/dbraw/zinc/94/83/71/400948371.db2.gz FZGOJRYROVDBEG-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599069310 400948386 /nfs/dbraw/zinc/94/83/86/400948386.db2.gz FZGOJRYROVDBEG-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733976 400900527 /nfs/dbraw/zinc/90/05/27/400900527.db2.gz PULSOORDLKZPOF-KEYYUXOJSA-N 2 1 303.406 3.025 20 5 DGBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346692954 264080727 /nfs/dbraw/zinc/08/07/27/264080727.db2.gz KACPPNIGXFBDAO-OCCSQVGLSA-N 2 1 315.373 3.024 20 5 DGBDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347091342 264155044 /nfs/dbraw/zinc/15/50/44/264155044.db2.gz FDJZLNHCTQNSPP-CYBMUJFWSA-N 2 1 315.373 3.026 20 5 DGBDMP C[NH+](C)CC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000494185634 273794670 /nfs/dbraw/zinc/79/46/70/273794670.db2.gz LTBPBMKKYIOECZ-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000192657944 275037903 /nfs/dbraw/zinc/03/79/03/275037903.db2.gz QWAJBGVOHCTSDF-UGSOOPFHSA-N 2 1 315.417 3.046 20 5 DGBDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269013619 278335409 /nfs/dbraw/zinc/33/54/09/278335409.db2.gz OAULNNWAIYGRQN-CYBMUJFWSA-N 2 1 303.406 3.262 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292846622 281021861 /nfs/dbraw/zinc/02/18/61/281021861.db2.gz BNPHMHWQIHRJRJ-YJBOKZPZSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292846622 281021863 /nfs/dbraw/zinc/02/18/63/281021863.db2.gz BNPHMHWQIHRJRJ-YJBOKZPZSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292846622 281021864 /nfs/dbraw/zinc/02/18/64/281021864.db2.gz BNPHMHWQIHRJRJ-YJBOKZPZSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292846622 281021865 /nfs/dbraw/zinc/02/18/65/281021865.db2.gz BNPHMHWQIHRJRJ-YJBOKZPZSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1c(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262511737 432489510 /nfs/dbraw/zinc/48/95/10/432489510.db2.gz NARPQPVKLDKUMD-CZUORRHYSA-N 2 1 305.422 3.304 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245471739 432835610 /nfs/dbraw/zinc/83/56/10/432835610.db2.gz YBVPNIZYXHTFAE-CABCVRRESA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245471739 432835614 /nfs/dbraw/zinc/83/56/14/432835614.db2.gz YBVPNIZYXHTFAE-CABCVRRESA-N 2 1 305.422 3.366 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000161607254 432787960 /nfs/dbraw/zinc/78/79/60/432787960.db2.gz OIBVFKBCACNMSQ-NUEKZKHPSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000161607254 432787962 /nfs/dbraw/zinc/78/79/62/432787962.db2.gz OIBVFKBCACNMSQ-NUEKZKHPSA-N 2 1 303.406 3.181 20 5 DGBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214405 432946373 /nfs/dbraw/zinc/94/63/73/432946373.db2.gz YNSDUPQWDZYPLB-GUYCJALGSA-N 2 1 317.433 3.249 20 5 DGBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214403 432946629 /nfs/dbraw/zinc/94/66/29/432946629.db2.gz YNSDUPQWDZYPLB-DYVFJYSZSA-N 2 1 317.433 3.249 20 5 DGBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414187222 433448915 /nfs/dbraw/zinc/44/89/15/433448915.db2.gz PRELIFLWUBFSJZ-RDTXWAMCSA-N 2 1 317.433 3.294 20 5 DGBDMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414978550 433953552 /nfs/dbraw/zinc/95/35/52/433953552.db2.gz MKAYIGZGVFUTGW-LLVKDONJSA-N 2 1 305.403 3.150 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000414957598 293894096 /nfs/dbraw/zinc/89/40/96/293894096.db2.gz WCMJIUYWBQPMDO-OLZOCXBDSA-N 2 1 315.373 3.085 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261068 434319411 /nfs/dbraw/zinc/31/94/11/434319411.db2.gz IYEAQFZHPVOBJJ-XJKSGUPXSA-N 2 1 305.422 3.023 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266083 434322830 /nfs/dbraw/zinc/32/28/30/434322830.db2.gz RUTPLPYMAVPRNA-BBRMVZONSA-N 2 1 305.422 3.461 20 5 DGBDMP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000423355735 434381739 /nfs/dbraw/zinc/38/17/39/434381739.db2.gz GAIUENVVPZFVLB-MLGOLLRUSA-N 2 1 303.406 3.049 20 5 DGBDMP CC(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486988 434902821 /nfs/dbraw/zinc/90/28/21/434902821.db2.gz DIIXBUDLWRORBA-PBHICJAKSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486988 434902831 /nfs/dbraw/zinc/90/28/31/434902831.db2.gz DIIXBUDLWRORBA-PBHICJAKSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486988 434902834 /nfs/dbraw/zinc/90/28/34/434902834.db2.gz DIIXBUDLWRORBA-PBHICJAKSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486988 434902838 /nfs/dbraw/zinc/90/28/38/434902838.db2.gz DIIXBUDLWRORBA-PBHICJAKSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486988 434902841 /nfs/dbraw/zinc/90/28/41/434902841.db2.gz DIIXBUDLWRORBA-PBHICJAKSA-N 2 1 319.449 3.490 20 5 DGBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531956864 435128618 /nfs/dbraw/zinc/12/86/18/435128618.db2.gz NORPLVBVRLWTDO-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000531956864 435128622 /nfs/dbraw/zinc/12/86/22/435128622.db2.gz NORPLVBVRLWTDO-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536867843 435415982 /nfs/dbraw/zinc/41/59/82/435415982.db2.gz FJIOSDRFIUNMBH-RKVPGOIHSA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536859055 313788525 /nfs/dbraw/zinc/78/85/25/313788525.db2.gz QFYGKOHPNHMOQN-TZMCWYRMSA-N 2 1 316.405 3.395 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217516 315242905 /nfs/dbraw/zinc/24/29/05/315242905.db2.gz IICKLVJFPLHJKU-MRXNPFEDSA-N 2 1 314.389 3.157 20 5 DGBDMP C[C@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000576359692 316122003 /nfs/dbraw/zinc/12/20/03/316122003.db2.gz JUGWVVCOFXXTSV-RHSMWYFYSA-N 2 1 317.433 3.436 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648807 316257135 /nfs/dbraw/zinc/25/71/35/316257135.db2.gz KHUGSMLHXVSVRQ-WBMJQRKESA-N 2 1 314.389 3.013 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648804 316257265 /nfs/dbraw/zinc/25/72/65/316257265.db2.gz KHUGSMLHXVSVRQ-BLLLJJGKSA-N 2 1 314.389 3.013 20 5 DGBDMP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000903106327 619717897 /nfs/dbraw/zinc/71/78/97/619717897.db2.gz HDWZWWUHRBRHCZ-NWANDNLSSA-N 2 1 321.421 3.127 20 5 DGBDMP C[N@H+]1CCCC[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862481874 621593352 /nfs/dbraw/zinc/59/33/52/621593352.db2.gz AKPOJOHYFTYLHG-CYBMUJFWSA-N 2 1 311.813 3.070 20 5 DGBDMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862481874 621593355 /nfs/dbraw/zinc/59/33/55/621593355.db2.gz AKPOJOHYFTYLHG-CYBMUJFWSA-N 2 1 311.813 3.070 20 5 DGBDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862481874 621593357 /nfs/dbraw/zinc/59/33/57/621593357.db2.gz AKPOJOHYFTYLHG-CYBMUJFWSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000866368739 622104472 /nfs/dbraw/zinc/10/44/72/622104472.db2.gz GBKJQFCRWFAHOZ-CYBMUJFWSA-N 2 1 323.412 3.129 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704657 622158334 /nfs/dbraw/zinc/15/83/34/622158334.db2.gz PYJRNJONWACTPX-CXAGYDPISA-N 2 1 305.422 3.353 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000872073123 622790164 /nfs/dbraw/zinc/79/01/64/622790164.db2.gz NCKCXTVHZVXVMK-RYUDHWBXSA-N 2 1 311.451 3.165 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000872073122 622790172 /nfs/dbraw/zinc/79/01/72/622790172.db2.gz NCKCXTVHZVXVMK-NWDGAFQWSA-N 2 1 311.451 3.165 20 5 DGBDMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554795 627683954 /nfs/dbraw/zinc/68/39/54/627683954.db2.gz IZESTIDXCLBAJB-KGLIPLIRSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554795 627683955 /nfs/dbraw/zinc/68/39/55/627683955.db2.gz IZESTIDXCLBAJB-KGLIPLIRSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554795 627683957 /nfs/dbraw/zinc/68/39/57/627683957.db2.gz IZESTIDXCLBAJB-KGLIPLIRSA-N 2 1 320.437 3.092 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925629088 627764998 /nfs/dbraw/zinc/76/49/98/627764998.db2.gz LMOZDUVTBAYSKE-OAHLLOKOSA-N 2 1 323.824 3.055 20 5 DGBDMP CC[NH+]1CCC(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC001461872732 1182867958 /nfs/dbraw/zinc/86/79/58/1182867958.db2.gz SSCUBKDHOPAGRX-UHFFFAOYSA-N 2 1 317.433 3.291 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001575967111 1191521480 /nfs/dbraw/zinc/52/14/80/1191521480.db2.gz VAWZUILTZOWFLR-ZBFHGGJFSA-N 2 1 319.449 3.284 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001662361047 1196711939 /nfs/dbraw/zinc/71/19/39/1196711939.db2.gz QVPHKVTYMWRMTP-UHFFFAOYSA-N 2 1 319.449 3.423 20 5 DGBDMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596024 1196910360 /nfs/dbraw/zinc/91/03/60/1196910360.db2.gz VUEPURWVOCGLFI-WMLDXEAASA-N 2 1 319.449 3.374 20 5 DGBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596024 1196910365 /nfs/dbraw/zinc/91/03/65/1196910365.db2.gz VUEPURWVOCGLFI-WMLDXEAASA-N 2 1 319.449 3.374 20 5 DGBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596024 1196910368 /nfs/dbraw/zinc/91/03/68/1196910368.db2.gz VUEPURWVOCGLFI-WMLDXEAASA-N 2 1 319.449 3.374 20 5 DGBDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1F ZINC001206188217 1091526736 /nfs/dbraw/zinc/52/67/36/1091526736.db2.gz UUQGDYPODMOERF-IAGOWNOFSA-N 2 1 324.403 3.044 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000449172153 240050293 /nfs/dbraw/zinc/05/02/93/240050293.db2.gz JOHNESYAACAXMI-LNRIEFBSSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000449172153 240050299 /nfs/dbraw/zinc/05/02/99/240050299.db2.gz JOHNESYAACAXMI-LNRIEFBSSA-N 2 1 317.433 3.131 20 5 DGBDMP C[NH2+]CCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093633690 193277052 /nfs/dbraw/zinc/27/70/52/193277052.db2.gz NAPILHFOGDFSRY-UHFFFAOYSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000121585246 284201506 /nfs/dbraw/zinc/20/15/06/284201506.db2.gz HELRPGQNRJUDJQ-LSDHHAIUSA-N 2 1 305.422 3.367 20 5 DGBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157445235 197188092 /nfs/dbraw/zinc/18/80/92/197188092.db2.gz QSLKRCAYVAOMSH-QGZVFWFLSA-N 2 1 317.433 3.088 20 5 DGBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157445235 197188094 /nfs/dbraw/zinc/18/80/94/197188094.db2.gz QSLKRCAYVAOMSH-QGZVFWFLSA-N 2 1 317.433 3.088 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901501 400290815 /nfs/dbraw/zinc/29/08/15/400290815.db2.gz XKQKUYRQZXEQIP-YOEHRIQHSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094296 400315309 /nfs/dbraw/zinc/31/53/09/400315309.db2.gz JRYFJXFPWMMJBU-HOCLYGCPSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094296 400315316 /nfs/dbraw/zinc/31/53/16/400315316.db2.gz JRYFJXFPWMMJBU-HOCLYGCPSA-N 2 1 317.433 3.367 20 5 DGBDMP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000591582609 400543077 /nfs/dbraw/zinc/54/30/77/400543077.db2.gz NUEUPFZUSBWEGA-KGLIPLIRSA-N 2 1 303.406 3.229 20 5 DGBDMP C[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073496 400950733 /nfs/dbraw/zinc/95/07/33/400950733.db2.gz HBZFUGZAWQJIDI-SUMWQHHRSA-N 2 1 303.406 3.262 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965668 400915330 /nfs/dbraw/zinc/91/53/30/400915330.db2.gz OIMKDHOYCBBUOU-ZFWWWQNUSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965668 400915333 /nfs/dbraw/zinc/91/53/33/400915333.db2.gz OIMKDHOYCBBUOU-ZFWWWQNUSA-N 2 1 305.422 3.427 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000598994790 400922774 /nfs/dbraw/zinc/92/27/74/400922774.db2.gz RZTYOCIFIQYHRP-OBHPCNEJSA-N 2 1 317.433 3.320 20 5 DGBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000255020092 401101953 /nfs/dbraw/zinc/10/19/53/401101953.db2.gz GVFJOUPLDPHVNB-NBEHIINDSA-N 2 1 317.433 3.414 20 5 DGBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000255020092 401101956 /nfs/dbraw/zinc/10/19/56/401101956.db2.gz GVFJOUPLDPHVNB-NBEHIINDSA-N 2 1 317.433 3.414 20 5 DGBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@@H+]1C ZINC000255020092 401101958 /nfs/dbraw/zinc/10/19/58/401101958.db2.gz GVFJOUPLDPHVNB-NBEHIINDSA-N 2 1 317.433 3.414 20 5 DGBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@H+]1C ZINC000255020092 401101961 /nfs/dbraw/zinc/10/19/61/401101961.db2.gz GVFJOUPLDPHVNB-NBEHIINDSA-N 2 1 317.433 3.414 20 5 DGBDMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000299600277 229248399 /nfs/dbraw/zinc/24/83/99/229248399.db2.gz HGSFJAWARNTXQB-UHFFFAOYSA-N 2 1 303.406 3.010 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000347173590 264169808 /nfs/dbraw/zinc/16/98/08/264169808.db2.gz PGTVYIRIPUIVRC-XYPWUTKMSA-N 2 1 317.433 3.433 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000347173590 264169811 /nfs/dbraw/zinc/16/98/11/264169811.db2.gz PGTVYIRIPUIVRC-XYPWUTKMSA-N 2 1 317.433 3.433 20 5 DGBDMP [NH3+]CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC000352510067 265074330 /nfs/dbraw/zinc/07/43/30/265074330.db2.gz MHSBDWWJMGIMGM-UHFFFAOYSA-N 2 1 309.385 3.075 20 5 DGBDMP [NH3+]CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC000352510067 265074333 /nfs/dbraw/zinc/07/43/33/265074333.db2.gz MHSBDWWJMGIMGM-UHFFFAOYSA-N 2 1 309.385 3.075 20 5 DGBDMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827362 279040351 /nfs/dbraw/zinc/04/03/51/279040351.db2.gz KYSJMJIAVXXARN-LSDHHAIUSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827362 279040352 /nfs/dbraw/zinc/04/03/52/279040352.db2.gz KYSJMJIAVXXARN-LSDHHAIUSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827362 279040353 /nfs/dbraw/zinc/04/03/53/279040353.db2.gz KYSJMJIAVXXARN-LSDHHAIUSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182827362 279040355 /nfs/dbraw/zinc/04/03/55/279040355.db2.gz KYSJMJIAVXXARN-LSDHHAIUSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152426979 432331793 /nfs/dbraw/zinc/33/17/93/432331793.db2.gz SQRNRFVDWRUYIO-KBPBESRZSA-N 2 1 303.406 3.038 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000279044427 432929269 /nfs/dbraw/zinc/92/92/69/432929269.db2.gz XMKBFPHTOUGERP-ZIAGYGMSSA-N 2 1 314.389 3.013 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453592314 433222947 /nfs/dbraw/zinc/22/29/47/433222947.db2.gz DRKRLBGTIKOPPL-QINSGFPZSA-N 2 1 317.433 3.462 20 5 DGBDMP C[N@@H+](CCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000453592931 433224144 /nfs/dbraw/zinc/22/41/44/433224144.db2.gz FYBMQCUNVPESBT-SOFGYWHQSA-N 2 1 303.406 3.072 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161072730 292827249 /nfs/dbraw/zinc/82/72/49/292827249.db2.gz ALEVFIGBPFXJTG-KKUMJFAQSA-N 2 1 305.422 3.427 20 5 DGBDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000414948675 433929091 /nfs/dbraw/zinc/92/90/91/433929091.db2.gz MNRJMJYCEYDLOA-JSGCOSHPSA-N 2 1 315.373 3.085 20 5 DGBDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000414957599 293894123 /nfs/dbraw/zinc/89/41/23/293894123.db2.gz WCMJIUYWBQPMDO-QWHCGFSZSA-N 2 1 315.373 3.085 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000423177238 434268677 /nfs/dbraw/zinc/26/86/77/434268677.db2.gz IOWKLBAALKZXKJ-CYBMUJFWSA-N 2 1 321.421 3.306 20 5 DGBDMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000423185754 434269470 /nfs/dbraw/zinc/26/94/70/434269470.db2.gz WCTCWHFIDYCTLG-INIZCTEOSA-N 2 1 303.406 3.223 20 5 DGBDMP [NH3+]C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423507238 434465260 /nfs/dbraw/zinc/46/52/60/434465260.db2.gz PVICZUAWPQZSCC-IAGOWNOFSA-N 2 1 303.406 3.079 20 5 DGBDMP C[C@@H]1CC2(C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378452 434715035 /nfs/dbraw/zinc/71/50/35/434715035.db2.gz NELBVDQFWQWUDS-CSPWOOARSA-N 2 1 315.417 3.072 20 5 DGBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244806 435069847 /nfs/dbraw/zinc/06/98/47/435069847.db2.gz LMKXCHDECLXHCG-OCCSQVGLSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244806 435069851 /nfs/dbraw/zinc/06/98/51/435069851.db2.gz LMKXCHDECLXHCG-OCCSQVGLSA-N 2 1 315.373 3.166 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000467516658 435124319 /nfs/dbraw/zinc/12/43/19/435124319.db2.gz NSINSDGOADALAK-DTQAZKPQSA-N 2 1 317.433 3.416 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000467516658 435124321 /nfs/dbraw/zinc/12/43/21/435124321.db2.gz NSINSDGOADALAK-DTQAZKPQSA-N 2 1 317.433 3.416 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000560897082 435194635 /nfs/dbraw/zinc/19/46/35/435194635.db2.gz SWCZJZNRAOGQLU-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000567519795 435325670 /nfs/dbraw/zinc/32/56/70/435325670.db2.gz QRIFJYORGJPHQG-MRXNPFEDSA-N 2 1 303.406 3.046 20 5 DGBDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000513100110 435378285 /nfs/dbraw/zinc/37/82/85/435378285.db2.gz GSYPEJRLWWUTLD-RXBGNRNISA-N 2 1 317.433 3.462 20 5 DGBDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000513100110 435378292 /nfs/dbraw/zinc/37/82/92/435378292.db2.gz GSYPEJRLWWUTLD-RXBGNRNISA-N 2 1 317.433 3.462 20 5 DGBDMP Cc1ccc([C@H](C)NCC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000538278050 435490784 /nfs/dbraw/zinc/49/07/84/435490784.db2.gz JGEWMASVDSHLAB-HOCLYGCPSA-N 2 1 305.422 3.428 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000538278050 435490794 /nfs/dbraw/zinc/49/07/94/435490794.db2.gz JGEWMASVDSHLAB-HOCLYGCPSA-N 2 1 305.422 3.428 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000532551391 313561587 /nfs/dbraw/zinc/56/15/87/313561587.db2.gz ALEVFIGBPFXJTG-SOUVJXGZSA-N 2 1 305.422 3.427 20 5 DGBDMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000564649619 315188627 /nfs/dbraw/zinc/18/86/27/315188627.db2.gz CYFXWRIKJMCNRS-MRXNPFEDSA-N 2 1 305.422 3.295 20 5 DGBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000584539683 337359381 /nfs/dbraw/zinc/35/93/81/337359381.db2.gz ALHGGZQUULJHIQ-QGZVFWFLSA-N 2 1 315.417 3.046 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000872054482 619099025 /nfs/dbraw/zinc/09/90/25/619099025.db2.gz XAHSVLDTVAHGCJ-GFCCVEGCSA-N 2 1 321.446 3.229 20 5 DGBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903177231 619730583 /nfs/dbraw/zinc/73/05/83/619730583.db2.gz IXXBMNVLDNUTTR-BINIMTDWSA-N 2 1 315.417 3.403 20 5 DGBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903177231 619730585 /nfs/dbraw/zinc/73/05/85/619730585.db2.gz IXXBMNVLDNUTTR-BINIMTDWSA-N 2 1 315.417 3.403 20 5 DGBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000904405132 619920128 /nfs/dbraw/zinc/92/01/28/619920128.db2.gz FHQHNDUDQIBBKZ-CYBMUJFWSA-N 2 1 315.373 3.026 20 5 DGBDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029931 623021219 /nfs/dbraw/zinc/02/12/19/623021219.db2.gz WCOGAKXOKLFHIG-OAHLLOKOSA-N 2 1 305.422 3.033 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029931 623021226 /nfs/dbraw/zinc/02/12/26/623021226.db2.gz WCOGAKXOKLFHIG-OAHLLOKOSA-N 2 1 305.422 3.033 20 5 DGBDMP Cc1c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873044622 623025019 /nfs/dbraw/zinc/02/50/19/623025019.db2.gz SQZOQVKSOLKFBZ-OAHLLOKOSA-N 2 1 305.422 3.113 20 5 DGBDMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000873044622 623025023 /nfs/dbraw/zinc/02/50/23/623025023.db2.gz SQZOQVKSOLKFBZ-OAHLLOKOSA-N 2 1 305.422 3.113 20 5 DGBDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000873222889 623080486 /nfs/dbraw/zinc/08/04/86/623080486.db2.gz DIKZVVOTCHZZNJ-XOWYPZSQSA-N 2 1 317.433 3.305 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877527327 623924383 /nfs/dbraw/zinc/92/43/83/623924383.db2.gz KITWZRBPJCZNPF-UHFFFAOYSA-N 2 1 316.405 3.239 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877527327 623924390 /nfs/dbraw/zinc/92/43/90/623924390.db2.gz KITWZRBPJCZNPF-UHFFFAOYSA-N 2 1 316.405 3.239 20 5 DGBDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809735977 626943534 /nfs/dbraw/zinc/94/35/34/626943534.db2.gz YOUJEGUZQVSRGJ-ZDUSSCGKSA-N 2 1 311.813 3.068 20 5 DGBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809735977 626943536 /nfs/dbraw/zinc/94/35/36/626943536.db2.gz YOUJEGUZQVSRGJ-ZDUSSCGKSA-N 2 1 311.813 3.068 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125604 630616292 /nfs/dbraw/zinc/61/62/92/630616292.db2.gz YNTZGUWENLZJOP-STQMWFEESA-N 2 1 323.824 3.070 20 5 DGBDMP C[NH+](C)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000042393124 658772976 /nfs/dbraw/zinc/77/29/76/658772976.db2.gz NWDZBBMPDWVVFP-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001474029735 1183854387 /nfs/dbraw/zinc/85/43/87/1183854387.db2.gz XXFPIEJSYZFDFO-HUUCEWRRSA-N 2 1 305.422 3.174 20 5 DGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001644301289 1195097806 /nfs/dbraw/zinc/09/78/06/1195097806.db2.gz BAJUMBWXSSELFD-UHFFFAOYSA-N 2 1 323.412 3.432 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC001648725605 1195326366 /nfs/dbraw/zinc/32/63/66/1195326366.db2.gz RKGCFBCBSNBDAG-UHFFFAOYSA-N 2 1 305.422 3.177 20 5 DGBDMP Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369701 1196476033 /nfs/dbraw/zinc/47/60/33/1196476033.db2.gz JSWMYLVUOSDNAR-WMLDXEAASA-N 2 1 319.449 3.455 20 5 DGBDMP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC001660369701 1196476035 /nfs/dbraw/zinc/47/60/35/1196476035.db2.gz JSWMYLVUOSDNAR-WMLDXEAASA-N 2 1 319.449 3.455 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001660976879 1196548614 /nfs/dbraw/zinc/54/86/14/1196548614.db2.gz RMGOUGCWTRECRF-ZDUSSCGKSA-N 2 1 305.422 3.033 20 5 DGBDMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169000245 1092480391 /nfs/dbraw/zinc/48/03/91/1092480391.db2.gz XEWAADUMOSTXRU-VGWMRTNUSA-N 2 1 311.470 3.050 20 5 DGBDMP C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001169054571 1092511428 /nfs/dbraw/zinc/51/14/28/1092511428.db2.gz MRINJYZXCNORNE-YJBOKZPZSA-N 2 1 323.481 3.161 20 5 DGBDMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912640 1097292462 /nfs/dbraw/zinc/29/24/62/1097292462.db2.gz KWCABTYZBIAVHN-QGZVFWFLSA-N 2 1 319.449 3.116 20 5 DGBDMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231150 1097377581 /nfs/dbraw/zinc/37/75/81/1097377581.db2.gz JYFQOZIMIYYAOG-HNNXBMFYSA-N 2 1 307.438 3.190 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001173236261 1097381860 /nfs/dbraw/zinc/38/18/60/1097381860.db2.gz ZMVGYFUZGBTWEF-LFVTVUPYSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001173236261 1097381865 /nfs/dbraw/zinc/38/18/65/1097381865.db2.gz ZMVGYFUZGBTWEF-LFVTVUPYSA-N 2 1 317.433 3.131 20 5 DGBDMP Cc1c(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001177294873 1098505365 /nfs/dbraw/zinc/50/53/65/1098505365.db2.gz QHFAIRKDJYALLH-HUUCEWRRSA-N 2 1 319.449 3.361 20 5 DGBDMP CC[NH+]1CCC(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC001179909715 1099256080 /nfs/dbraw/zinc/25/60/80/1099256080.db2.gz SJRIKSJMTJNJTL-UHFFFAOYSA-N 2 1 317.433 3.291 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001254545391 1106100296 /nfs/dbraw/zinc/10/02/96/1106100296.db2.gz NEVPMSAGRJOXAG-AWEZNQCLSA-N 2 1 317.433 3.119 20 5 DGBDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254550336 1106101215 /nfs/dbraw/zinc/10/12/15/1106101215.db2.gz HUWZARCSSSDCQK-UXLLHSPISA-N 2 1 319.449 3.234 20 5 DGBDMP CC(C)[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254588165 1106109146 /nfs/dbraw/zinc/10/91/46/1106109146.db2.gz VTUWMGARKYPABF-BQFCYCMXSA-N 2 1 317.433 3.042 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180402539 199154755 /nfs/dbraw/zinc/15/47/55/199154755.db2.gz NPIXYSUXEKHWIF-CQSZACIVSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127607138 284345642 /nfs/dbraw/zinc/34/56/42/284345642.db2.gz LTTGFIMJOOHNBE-UHFFFAOYSA-N 2 1 314.389 3.154 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127607138 284345645 /nfs/dbraw/zinc/34/56/45/284345645.db2.gz LTTGFIMJOOHNBE-UHFFFAOYSA-N 2 1 314.389 3.154 20 5 DGBDMP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322354114 400173880 /nfs/dbraw/zinc/17/38/80/400173880.db2.gz FIOONRHUVJSSIJ-GFCCVEGCSA-N 2 1 312.373 3.100 20 5 DGBDMP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000596648655 400472357 /nfs/dbraw/zinc/47/23/57/400472357.db2.gz URAQMZMWCIVFEO-OAHLLOKOSA-N 2 1 303.406 3.178 20 5 DGBDMP C[NH+]1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347870 400512474 /nfs/dbraw/zinc/51/24/74/400512474.db2.gz GEPRRYHRKFWTPG-QGZVFWFLSA-N 2 1 303.406 3.046 20 5 DGBDMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591580660 400543047 /nfs/dbraw/zinc/54/30/47/400543047.db2.gz JCXHKCWEVYYQEF-MNOVXSKESA-N 2 1 305.403 3.321 20 5 DGBDMP O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc2cnccc21 ZINC000599043466 400936350 /nfs/dbraw/zinc/93/63/50/400936350.db2.gz RZCVRFNMEQDVBW-CQSZACIVSA-N 2 1 312.373 3.039 20 5 DGBDMP O=[N+]([O-])c1c(NC[C@H]2CC[N@H+](C3CC3)C2)ccc2cnccc21 ZINC000599022072 400929354 /nfs/dbraw/zinc/92/93/54/400929354.db2.gz ITILPYMJKWOEFP-GFCCVEGCSA-N 2 1 312.373 3.039 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000269006177 432151355 /nfs/dbraw/zinc/15/13/55/432151355.db2.gz QNERRHXCWASOBY-FMKPAKJESA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000269006177 432151358 /nfs/dbraw/zinc/15/13/58/432151358.db2.gz QNERRHXCWASOBY-FMKPAKJESA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000269006177 432151361 /nfs/dbraw/zinc/15/13/61/432151361.db2.gz QNERRHXCWASOBY-FMKPAKJESA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000269006177 432151364 /nfs/dbraw/zinc/15/13/64/432151364.db2.gz QNERRHXCWASOBY-FMKPAKJESA-N 2 1 303.406 3.072 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000269006177 432151368 /nfs/dbraw/zinc/15/13/68/432151368.db2.gz QNERRHXCWASOBY-FMKPAKJESA-N 2 1 303.406 3.072 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000247037756 432194133 /nfs/dbraw/zinc/19/41/33/432194133.db2.gz LPNLLLOYIKHTRS-SOUVJXGZSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171141360 228269764 /nfs/dbraw/zinc/26/97/64/228269764.db2.gz VUFBPXBNKHYFDX-DZGCQCFKSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171141357 228270195 /nfs/dbraw/zinc/27/01/95/228270195.db2.gz VUFBPXBNKHYFDX-HIFRSBDPSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278952531 280190026 /nfs/dbraw/zinc/19/00/26/280190026.db2.gz LLYMVXMUWTYHBW-CZUORRHYSA-N 2 1 314.389 3.095 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337276436 281019493 /nfs/dbraw/zinc/01/94/93/281019493.db2.gz QWPHUWDDTXSDHX-OAHLLOKOSA-N 2 1 305.422 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337276436 281019494 /nfs/dbraw/zinc/01/94/94/281019494.db2.gz QWPHUWDDTXSDHX-OAHLLOKOSA-N 2 1 305.422 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292846620 281022720 /nfs/dbraw/zinc/02/27/20/281022720.db2.gz BNPHMHWQIHRJRJ-MAUKXSAKSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292846620 281022721 /nfs/dbraw/zinc/02/27/21/281022721.db2.gz BNPHMHWQIHRJRJ-MAUKXSAKSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292846620 281022722 /nfs/dbraw/zinc/02/27/22/281022722.db2.gz BNPHMHWQIHRJRJ-MAUKXSAKSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292846620 281022724 /nfs/dbraw/zinc/02/27/24/281022724.db2.gz BNPHMHWQIHRJRJ-MAUKXSAKSA-N 2 1 317.433 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152427171 432333053 /nfs/dbraw/zinc/33/30/53/432333053.db2.gz SQRNRFVDWRUYIO-UONOGXRCSA-N 2 1 303.406 3.038 20 5 DGBDMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178256993 432711805 /nfs/dbraw/zinc/71/18/05/432711805.db2.gz JXYXXRZEGPBRRG-CYBMUJFWSA-N 2 1 303.406 3.120 20 5 DGBDMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000178703839 432767853 /nfs/dbraw/zinc/76/78/53/432767853.db2.gz JPSAJGNZIPQIGC-SUMWQHHRSA-N 2 1 316.405 3.477 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178705219 432768820 /nfs/dbraw/zinc/76/88/20/432768820.db2.gz MDAKYXKFRUGPBD-STQMWFEESA-N 2 1 302.378 3.087 20 5 DGBDMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278295821 432890653 /nfs/dbraw/zinc/89/06/53/432890653.db2.gz RIYIBVTZLXOZPW-KRWDZBQOSA-N 2 1 303.406 3.046 20 5 DGBDMP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279044317 432929303 /nfs/dbraw/zinc/92/93/03/432929303.db2.gz JOJJUCOEBRZIEJ-INIZCTEOSA-N 2 1 303.406 3.001 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322430 433165001 /nfs/dbraw/zinc/16/50/01/433165001.db2.gz FCYVHTWCIBPEDQ-OLZOCXBDSA-N 2 1 323.824 3.070 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173004 433438775 /nfs/dbraw/zinc/43/87/75/433438775.db2.gz FYBGVDHPXFQLGT-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429189 433575873 /nfs/dbraw/zinc/57/58/73/433575873.db2.gz PZQKFAJLAZIRNW-INIZCTEOSA-N 2 1 323.824 3.166 20 5 DGBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)o1 ZINC000414902947 433907639 /nfs/dbraw/zinc/90/76/39/433907639.db2.gz IYGACJIOBIAPFB-CYBMUJFWSA-N 2 1 315.373 3.087 20 5 DGBDMP CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]CC1 ZINC000414946890 433928852 /nfs/dbraw/zinc/92/88/52/433928852.db2.gz UVDBCWUZBRRDKF-UHFFFAOYSA-N 2 1 315.373 3.087 20 5 DGBDMP Cc1c(C[N@H+](CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000303986266 433977876 /nfs/dbraw/zinc/97/78/76/433977876.db2.gz JDCZOPVFWCCCAL-UHFFFAOYSA-N 2 1 313.401 3.254 20 5 DGBDMP Cc1c(C[N@@H+](CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000303986266 433977881 /nfs/dbraw/zinc/97/78/81/433977881.db2.gz JDCZOPVFWCCCAL-UHFFFAOYSA-N 2 1 313.401 3.254 20 5 DGBDMP C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1c[nH+]ccc1N ZINC000422922607 434114004 /nfs/dbraw/zinc/11/40/04/434114004.db2.gz QFZYGJQDJBKFBN-ZDUSSCGKSA-N 2 1 314.389 3.076 20 5 DGBDMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298115 434349679 /nfs/dbraw/zinc/34/96/79/434349679.db2.gz NEWAPAGMFHICLP-HZPDHXFCSA-N 2 1 305.422 3.023 20 5 DGBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459789225 434722658 /nfs/dbraw/zinc/72/26/58/434722658.db2.gz QNFHTMJZDSIAQY-GFCCVEGCSA-N 2 1 311.813 3.070 20 5 DGBDMP CC1(C)CC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000578378837 435079843 /nfs/dbraw/zinc/07/98/43/435079843.db2.gz QOGIGQVUZDZUDF-HNNXBMFYSA-N 2 1 317.433 3.481 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000470200600 435134485 /nfs/dbraw/zinc/13/44/85/435134485.db2.gz CADBISOUQFWTIP-MBMZNTITSA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000470200600 435134491 /nfs/dbraw/zinc/13/44/91/435134491.db2.gz CADBISOUQFWTIP-MBMZNTITSA-N 2 1 315.417 3.024 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000568461765 435439038 /nfs/dbraw/zinc/43/90/38/435439038.db2.gz XPAZIUIMWGRSRW-ZIAGYGMSSA-N 2 1 314.389 3.187 20 5 DGBDMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563634579 315129086 /nfs/dbraw/zinc/12/90/86/315129086.db2.gz DFOCMHQDHWQELT-WOSRLPQWSA-N 2 1 303.406 3.045 20 5 DGBDMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563634580 315129137 /nfs/dbraw/zinc/12/91/37/315129137.db2.gz DFOCMHQDHWQELT-XJKCOSOUSA-N 2 1 303.406 3.045 20 5 DGBDMP C[C@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCC1 ZINC000576359691 316122167 /nfs/dbraw/zinc/12/21/67/316122167.db2.gz JUGWVVCOFXXTSV-PBHICJAKSA-N 2 1 317.433 3.436 20 5 DGBDMP CCCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577412845 316234346 /nfs/dbraw/zinc/23/43/46/316234346.db2.gz RCIIIKFFIBUJOZ-KRWDZBQOSA-N 2 1 317.433 3.436 20 5 DGBDMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184473695 323366190 /nfs/dbraw/zinc/36/61/90/323366190.db2.gz HBLYSXHKSLZXTJ-CQSZACIVSA-N 2 1 305.422 3.367 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449130740 535176667 /nfs/dbraw/zinc/17/66/67/535176667.db2.gz HOWRWEOZUUSZKD-JKSUJKDBSA-N 2 1 319.449 3.236 20 5 DGBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000891626407 617856816 /nfs/dbraw/zinc/85/68/16/617856816.db2.gz YTORZOGSXFBFDR-UHFFFAOYSA-N 2 1 305.422 3.147 20 5 DGBDMP COc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000903182546 619731590 /nfs/dbraw/zinc/73/15/90/619731590.db2.gz DMZJJTGFMVHGGW-ZDUSSCGKSA-N 2 1 321.421 3.128 20 5 DGBDMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1[N+](=O)[O-] ZINC000903214765 619739917 /nfs/dbraw/zinc/73/99/17/619739917.db2.gz XGWGVPNHSHNKSJ-ZXFUBFMLSA-N 2 1 315.417 3.151 20 5 DGBDMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1[N+](=O)[O-] ZINC000903214765 619739919 /nfs/dbraw/zinc/73/99/19/619739919.db2.gz XGWGVPNHSHNKSJ-ZXFUBFMLSA-N 2 1 315.417 3.151 20 5 DGBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000768337880 622451132 /nfs/dbraw/zinc/45/11/32/622451132.db2.gz WQILSHOMCSPLME-UHFFFAOYSA-N 2 1 313.401 3.288 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872032664 622763778 /nfs/dbraw/zinc/76/37/78/622763778.db2.gz XONMARZHAWHQKJ-VXGBXAGGSA-N 2 1 320.368 3.226 20 5 DGBDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077769 622793287 /nfs/dbraw/zinc/79/32/87/622793287.db2.gz AXTBSPZDRBSXJR-STQMWFEESA-N 2 1 309.385 3.116 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876759303 623699324 /nfs/dbraw/zinc/69/93/24/623699324.db2.gz ONIYRXMHFCLLMN-INIZCTEOSA-N 2 1 317.433 3.129 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876759303 623699329 /nfs/dbraw/zinc/69/93/29/623699329.db2.gz ONIYRXMHFCLLMN-INIZCTEOSA-N 2 1 317.433 3.129 20 5 DGBDMP C[C@H](CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000788739709 625255600 /nfs/dbraw/zinc/25/56/00/625255600.db2.gz NUEVGCVJZKUMRS-KGLIPLIRSA-N 2 1 320.437 3.092 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925629087 627765109 /nfs/dbraw/zinc/76/51/09/627765109.db2.gz LMOZDUVTBAYSKE-HNNXBMFYSA-N 2 1 323.824 3.055 20 5 DGBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1)CC[NH2+]CC2 ZINC000818431128 628022663 /nfs/dbraw/zinc/02/26/63/628022663.db2.gz GGHBNSRHEBXARE-LBPRGKRZSA-N 2 1 323.824 3.212 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000841091054 630406622 /nfs/dbraw/zinc/40/66/22/630406622.db2.gz SPYRMCQQYJITBV-LBPRGKRZSA-N 2 1 309.797 3.013 20 5 DGBDMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842471779 630538800 /nfs/dbraw/zinc/53/88/00/630538800.db2.gz ZGUSGDGOXFURBA-LBPRGKRZSA-N 2 1 311.813 3.070 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001621108427 1193804075 /nfs/dbraw/zinc/80/40/75/1193804075.db2.gz OUUBKJKDWAIGTH-BHYGNILZSA-N 2 1 317.433 3.148 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001621108427 1193804079 /nfs/dbraw/zinc/80/40/79/1193804079.db2.gz OUUBKJKDWAIGTH-BHYGNILZSA-N 2 1 317.433 3.148 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC001648882460 1081953014 /nfs/dbraw/zinc/95/30/14/1081953014.db2.gz OYUGSQWAXQIVOH-AWEZNQCLSA-N 2 1 319.449 3.423 20 5 DGBDMP C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001169054569 1092511905 /nfs/dbraw/zinc/51/19/05/1092511905.db2.gz MRINJYZXCNORNE-MAUKXSAKSA-N 2 1 323.481 3.161 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326277886 1103253441 /nfs/dbraw/zinc/25/34/41/1103253441.db2.gz OVYLOSLTQQZCMQ-CQSZACIVSA-N 2 1 303.406 3.121 20 5 DGBDMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246496695 1104564040 /nfs/dbraw/zinc/56/40/40/1104564040.db2.gz PLEZEOYKQGUBGH-AWEZNQCLSA-N 2 1 307.438 3.413 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650093 1104648084 /nfs/dbraw/zinc/64/80/84/1104648084.db2.gz GUTUZAMHGNTQSS-CRAIPNDOSA-N 2 1 317.433 3.134 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650093 1104648089 /nfs/dbraw/zinc/64/80/89/1104648089.db2.gz GUTUZAMHGNTQSS-CRAIPNDOSA-N 2 1 317.433 3.134 20 5 DGBDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001254550334 1106101514 /nfs/dbraw/zinc/10/15/14/1106101514.db2.gz HUWZARCSSSDCQK-BFYDXBDKSA-N 2 1 319.449 3.234 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319201283 1108362670 /nfs/dbraw/zinc/36/26/70/1108362670.db2.gz OPZZQNJNVKGQNG-QGPMSJSTSA-N 2 1 319.449 3.378 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277161873 213336958 /nfs/dbraw/zinc/33/69/58/213336958.db2.gz KFTCRDBLZFQTHG-HUUCEWRRSA-N 2 1 305.422 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277161873 213336961 /nfs/dbraw/zinc/33/69/61/213336961.db2.gz KFTCRDBLZFQTHG-HUUCEWRRSA-N 2 1 305.422 3.380 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000236820863 202024646 /nfs/dbraw/zinc/02/46/46/202024646.db2.gz XNBPJUBCXRMBBJ-AWEZNQCLSA-N 2 1 305.422 3.427 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000468631204 244056698 /nfs/dbraw/zinc/05/66/98/244056698.db2.gz KHHHHMDIWIWVCL-KAMYIIQDSA-N 2 1 315.417 3.215 20 5 DGBDMP CC[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000468626691 244057463 /nfs/dbraw/zinc/05/74/63/244057463.db2.gz HYKPPCANZLLOGX-GSPCDJLXSA-N 2 1 317.433 3.462 20 5 DGBDMP C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000121589054 284201579 /nfs/dbraw/zinc/20/15/79/284201579.db2.gz OCSVCWIXAOCZHP-CABCVRRESA-N 2 1 305.422 3.367 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322716 285089003 /nfs/dbraw/zinc/08/90/03/285089003.db2.gz FCYVHTWCIBPEDQ-STQMWFEESA-N 2 1 323.824 3.070 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000609133537 400142117 /nfs/dbraw/zinc/14/21/17/400142117.db2.gz SWONJBPGJXRXOW-UHFFFAOYSA-N 2 1 305.422 3.147 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609133435 400143033 /nfs/dbraw/zinc/14/30/33/400143033.db2.gz DOKIPZOGRUDJGK-UHFFFAOYSA-N 2 1 305.422 3.147 20 5 DGBDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000589195031 400274201 /nfs/dbraw/zinc/27/42/01/400274201.db2.gz BZLDSUGYAGBBHO-HZPDHXFCSA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595901419 400290500 /nfs/dbraw/zinc/29/05/00/400290500.db2.gz VMHHDWHSYWVGJT-QGZVFWFLSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596059563 400305915 /nfs/dbraw/zinc/30/59/15/400305915.db2.gz QIJNUHWIHWFRRD-QGZVFWFLSA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596059563 400305923 /nfs/dbraw/zinc/30/59/23/400305923.db2.gz QIJNUHWIHWFRRD-QGZVFWFLSA-N 2 1 317.433 3.115 20 5 DGBDMP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000591578083 400541799 /nfs/dbraw/zinc/54/17/99/400541799.db2.gz WFNLAOZMSGZCBK-IUMDCYBTSA-N 2 1 315.417 3.190 20 5 DGBDMP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000591582612 400542721 /nfs/dbraw/zinc/54/27/21/400542721.db2.gz NUEUPFZUSBWEGA-ZIAGYGMSSA-N 2 1 303.406 3.229 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000591582610 400543082 /nfs/dbraw/zinc/54/30/82/400543082.db2.gz NUEUPFZUSBWEGA-UONOGXRCSA-N 2 1 303.406 3.229 20 5 DGBDMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000593319672 400818098 /nfs/dbraw/zinc/81/80/98/400818098.db2.gz OIZPLJUPLZXPFE-NSHDSACASA-N 2 1 303.337 3.043 20 5 DGBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000255393964 401105056 /nfs/dbraw/zinc/10/50/56/401105056.db2.gz GJCKUFWFWRTEEF-DBZNTZSBSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000255393964 401105063 /nfs/dbraw/zinc/10/50/63/401105063.db2.gz GJCKUFWFWRTEEF-DBZNTZSBSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000255393964 401105066 /nfs/dbraw/zinc/10/50/66/401105066.db2.gz GJCKUFWFWRTEEF-DBZNTZSBSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000255393964 401105072 /nfs/dbraw/zinc/10/50/72/401105072.db2.gz GJCKUFWFWRTEEF-DBZNTZSBSA-N 2 1 315.417 3.024 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347070196 264150877 /nfs/dbraw/zinc/15/08/77/264150877.db2.gz AAVZKIOMDDGLAR-HIFRSBDPSA-N 2 1 313.357 3.204 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2ccncc2)C1 ZINC000347070196 264150879 /nfs/dbraw/zinc/15/08/79/264150879.db2.gz AAVZKIOMDDGLAR-HIFRSBDPSA-N 2 1 313.357 3.204 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000331987526 274393010 /nfs/dbraw/zinc/39/30/10/274393010.db2.gz MCJKZRLBYXVIHF-BFQNTYOBSA-N 2 1 303.406 3.047 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262008924 275033330 /nfs/dbraw/zinc/03/33/30/275033330.db2.gz WCJNLKDESPSFAR-OAHLLOKOSA-N 2 1 323.824 3.212 20 5 DGBDMP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165388 431885500 /nfs/dbraw/zinc/88/55/00/431885500.db2.gz DTUQAIBMLGUGGV-YOEHRIQHSA-N 2 1 305.422 3.367 20 5 DGBDMP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000124165566 431885526 /nfs/dbraw/zinc/88/55/26/431885526.db2.gz DTUQAIBMLGUGGV-WMLDXEAASA-N 2 1 305.422 3.367 20 5 DGBDMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192838322 432420837 /nfs/dbraw/zinc/42/08/37/432420837.db2.gz NZKLHJHNNYKJJO-QGZVFWFLSA-N 2 1 303.406 3.262 20 5 DGBDMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521597 432839196 /nfs/dbraw/zinc/83/91/96/432839196.db2.gz KYSJMJIAVXXARN-HUUCEWRRSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521597 432839197 /nfs/dbraw/zinc/83/91/97/432839197.db2.gz KYSJMJIAVXXARN-HUUCEWRRSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521597 432839201 /nfs/dbraw/zinc/83/92/01/432839201.db2.gz KYSJMJIAVXXARN-HUUCEWRRSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245521597 432839204 /nfs/dbraw/zinc/83/92/04/432839204.db2.gz KYSJMJIAVXXARN-HUUCEWRRSA-N 2 1 305.422 3.238 20 5 DGBDMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278295827 432890806 /nfs/dbraw/zinc/89/08/06/432890806.db2.gz RIYIBVTZLXOZPW-QGZVFWFLSA-N 2 1 303.406 3.046 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290363452 433037977 /nfs/dbraw/zinc/03/79/77/433037977.db2.gz GYUNMADOAPENQW-VMPITWQZSA-N 2 1 314.389 3.135 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290363452 433037981 /nfs/dbraw/zinc/03/79/81/433037981.db2.gz GYUNMADOAPENQW-VMPITWQZSA-N 2 1 314.389 3.135 20 5 DGBDMP C[N@H+]1CC[C@H]2[C@H](CCCN2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574194 433100280 /nfs/dbraw/zinc/10/02/80/433100280.db2.gz UAKAMMGDWAIGKK-YQIFSTGGSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574194 433100288 /nfs/dbraw/zinc/10/02/88/433100288.db2.gz UAKAMMGDWAIGKK-YQIFSTGGSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574194 433100294 /nfs/dbraw/zinc/10/02/94/433100294.db2.gz UAKAMMGDWAIGKK-YQIFSTGGSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574194 433100305 /nfs/dbraw/zinc/10/03/05/433100305.db2.gz UAKAMMGDWAIGKK-YQIFSTGGSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000290574194 433100312 /nfs/dbraw/zinc/10/03/12/433100312.db2.gz UAKAMMGDWAIGKK-YQIFSTGGSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@@H+](CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000453599446 433231798 /nfs/dbraw/zinc/23/17/98/433231798.db2.gz RGENUIDDGLJKEF-UHFFFAOYSA-N 2 1 311.813 3.212 20 5 DGBDMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414188358 433449967 /nfs/dbraw/zinc/44/99/67/433449967.db2.gz QPAAMTNWANWQAR-PBHICJAKSA-N 2 1 305.422 3.367 20 5 DGBDMP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000414359601 433566754 /nfs/dbraw/zinc/56/67/54/433566754.db2.gz OULIKTREHWIYIA-SJLPKXTDSA-N 2 1 317.433 3.134 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414780929 433828144 /nfs/dbraw/zinc/82/81/44/433828144.db2.gz MDZLNHUMWXGATH-OLZOCXBDSA-N 2 1 323.824 3.070 20 5 DGBDMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322737229 434263286 /nfs/dbraw/zinc/26/32/86/434263286.db2.gz XKBMCBZBYZBBSM-STQMWFEESA-N 2 1 314.389 3.346 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000539089489 435538175 /nfs/dbraw/zinc/53/81/75/435538175.db2.gz SLRUGJHDBHQZEF-QAPCUYQASA-N 2 1 319.449 3.237 20 5 DGBDMP C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[NH+](C)C ZINC000491599172 435776646 /nfs/dbraw/zinc/77/66/46/435776646.db2.gz ORQBEACXAUVLGA-CYBMUJFWSA-N 2 1 317.389 3.142 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134942 528094716 /nfs/dbraw/zinc/09/47/16/528094716.db2.gz WNHBPHSGSVNJOW-ZFWWWQNUSA-N 2 1 305.422 3.135 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134942 528094722 /nfs/dbraw/zinc/09/47/22/528094722.db2.gz WNHBPHSGSVNJOW-ZFWWWQNUSA-N 2 1 305.422 3.135 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415064476 528102706 /nfs/dbraw/zinc/10/27/06/528102706.db2.gz KTAFHBJXPSPQIK-MRXNPFEDSA-N 2 1 305.422 3.325 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468627737 534955085 /nfs/dbraw/zinc/95/50/85/534955085.db2.gz ODYUWUDGEZMBSS-XBNGYDHASA-N 2 1 317.433 3.320 20 5 DGBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894858420 618480397 /nfs/dbraw/zinc/48/03/97/618480397.db2.gz FSJJHQLOVHLHBD-LBPRGKRZSA-N 2 1 311.813 3.070 20 5 DGBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000904406949 619920722 /nfs/dbraw/zinc/92/07/22/619920722.db2.gz YCQOBVWMQXXBNY-ZDUSSCGKSA-N 2 1 315.373 3.026 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000873029750 623020976 /nfs/dbraw/zinc/02/09/76/623020976.db2.gz PUYDYAJAVVGCNG-OAHLLOKOSA-N 2 1 305.422 3.032 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000873029750 623020983 /nfs/dbraw/zinc/02/09/83/623020983.db2.gz PUYDYAJAVVGCNG-OAHLLOKOSA-N 2 1 305.422 3.032 20 5 DGBDMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554797 627684372 /nfs/dbraw/zinc/68/43/72/627684372.db2.gz IZESTIDXCLBAJB-ZIAGYGMSSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554797 627684375 /nfs/dbraw/zinc/68/43/75/627684375.db2.gz IZESTIDXCLBAJB-ZIAGYGMSSA-N 2 1 320.437 3.092 20 5 DGBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554797 627684379 /nfs/dbraw/zinc/68/43/79/627684379.db2.gz IZESTIDXCLBAJB-ZIAGYGMSSA-N 2 1 320.437 3.092 20 5 DGBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355863 630649678 /nfs/dbraw/zinc/64/96/78/630649678.db2.gz YPYRPKWFJNSSHN-UHFFFAOYSA-N 2 1 321.421 3.084 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001620780088 1191862791 /nfs/dbraw/zinc/86/27/91/1191862791.db2.gz YWCJQABUBIJCIJ-MRXNPFEDSA-N 2 1 319.449 3.422 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001620780088 1191862793 /nfs/dbraw/zinc/86/27/93/1191862793.db2.gz YWCJQABUBIJCIJ-MRXNPFEDSA-N 2 1 319.449 3.422 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC001575967103 1191520709 /nfs/dbraw/zinc/52/07/09/1191520709.db2.gz VAWZUILTZOWFLR-GDBMZVCRSA-N 2 1 319.449 3.284 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576315827 1191560809 /nfs/dbraw/zinc/56/08/09/1191560809.db2.gz MWJCPQVUPAKYSK-CPUCHLNUSA-N 2 1 303.406 3.107 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118264139 1095969752 /nfs/dbraw/zinc/96/97/52/1095969752.db2.gz UFZQEHSFKZTEBK-UHFFFAOYSA-N 2 1 323.824 3.214 20 5 DGBDMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCC[N+](C)(C)C ZINC001224618440 1096247612 /nfs/dbraw/zinc/24/76/12/1096247612.db2.gz HHBWPKGYRYSBCU-PKOBYXMFSA-N 2 1 305.486 3.010 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001173217097 1097368342 /nfs/dbraw/zinc/36/83/42/1097368342.db2.gz LLKMKRAQCQLBEO-HZPDHXFCSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193251016 1100721653 /nfs/dbraw/zinc/72/16/53/1100721653.db2.gz SYXPGMGODIFBBJ-ZBFHGGJFSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001193251016 1100721657 /nfs/dbraw/zinc/72/16/57/1100721657.db2.gz SYXPGMGODIFBBJ-ZBFHGGJFSA-N 2 1 317.433 3.337 20 5 DGBDMP Cc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC001201930197 1102753888 /nfs/dbraw/zinc/75/38/88/1102753888.db2.gz WESFLSYCIPKODI-UHFFFAOYSA-N 2 1 305.422 3.115 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326202324 1103232476 /nfs/dbraw/zinc/23/24/76/1103232476.db2.gz NZEHSFCTQKJFCQ-UHFFFAOYSA-N 2 1 323.824 3.214 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001326236822 1103242158 /nfs/dbraw/zinc/24/21/58/1103242158.db2.gz QHDFKPIEJLZLTR-UHFFFAOYSA-N 2 1 323.824 3.214 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001254547614 1106100489 /nfs/dbraw/zinc/10/04/89/1106100489.db2.gz JOHNESYAACAXMI-DZUCGIPZSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001254547614 1106100493 /nfs/dbraw/zinc/10/04/93/1106100493.db2.gz JOHNESYAACAXMI-DZUCGIPZSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001254548691 1106101409 /nfs/dbraw/zinc/10/14/09/1106101409.db2.gz KOEKONDCBPWAID-HOTGVXAUSA-N 2 1 319.449 3.367 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881460 1107175248 /nfs/dbraw/zinc/17/52/48/1107175248.db2.gz WJXJSWDHYMZTAP-KBXCAEBGSA-N 2 1 317.433 3.294 20 5 DGBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC[NH+](C)CC1 ZINC000272793194 210197080 /nfs/dbraw/zinc/19/70/80/210197080.db2.gz JRLQHCVYYZXNJE-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152427953 186071919 /nfs/dbraw/zinc/07/19/19/186071919.db2.gz CRBMGMQMYRQPCZ-ZIAGYGMSSA-N 2 1 303.406 3.038 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000470169719 533407303 /nfs/dbraw/zinc/40/73/03/533407303.db2.gz IFJGDWHLZYVMCZ-IUYQLWOBSA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000470169719 533407306 /nfs/dbraw/zinc/40/73/06/533407306.db2.gz IFJGDWHLZYVMCZ-IUYQLWOBSA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000470169719 533407312 /nfs/dbraw/zinc/40/73/12/533407312.db2.gz IFJGDWHLZYVMCZ-IUYQLWOBSA-N 2 1 317.433 3.272 20 5 DGBDMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600679703 400128389 /nfs/dbraw/zinc/12/83/89/400128389.db2.gz NRBZWLTVZDZTOH-OHFALNGGSA-N 2 1 317.433 3.036 20 5 DGBDMP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601108033 400234673 /nfs/dbraw/zinc/23/46/73/400234673.db2.gz ASALSHDSQTYGJV-ZDUSSCGKSA-N 2 1 314.389 3.110 20 5 DGBDMP C[C@H]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599051692 400940367 /nfs/dbraw/zinc/94/03/67/400940367.db2.gz WAVUAUSDNUWFDH-WCQYABFASA-N 2 1 300.362 3.038 20 5 DGBDMP C[C@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073958 400952310 /nfs/dbraw/zinc/95/23/10/400952310.db2.gz ODQQIYYFMPAQIX-SUMWQHHRSA-N 2 1 303.406 3.262 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965667 400914978 /nfs/dbraw/zinc/91/49/78/400914978.db2.gz OIMKDHOYCBBUOU-UKRRQHHQSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598965667 400914981 /nfs/dbraw/zinc/91/49/81/400914981.db2.gz OIMKDHOYCBBUOU-UKRRQHHQSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598997973 400924115 /nfs/dbraw/zinc/92/41/15/400924115.db2.gz AASLVAXIOYIQFY-MRXNPFEDSA-N 2 1 303.406 3.010 20 5 DGBDMP O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+](C3CC3)C2)ccc2cnccc21 ZINC000599022073 400929537 /nfs/dbraw/zinc/92/95/37/400929537.db2.gz ITILPYMJKWOEFP-LBPRGKRZSA-N 2 1 312.373 3.039 20 5 DGBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000255020091 401102076 /nfs/dbraw/zinc/10/20/76/401102076.db2.gz GVFJOUPLDPHVNB-KMDWOBIYSA-N 2 1 317.433 3.414 20 5 DGBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000255020091 401102078 /nfs/dbraw/zinc/10/20/78/401102078.db2.gz GVFJOUPLDPHVNB-KMDWOBIYSA-N 2 1 317.433 3.414 20 5 DGBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@@H+]1C ZINC000255020091 401102080 /nfs/dbraw/zinc/10/20/80/401102080.db2.gz GVFJOUPLDPHVNB-KMDWOBIYSA-N 2 1 317.433 3.414 20 5 DGBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@H+]1C ZINC000255020091 401102083 /nfs/dbraw/zinc/10/20/83/401102083.db2.gz GVFJOUPLDPHVNB-KMDWOBIYSA-N 2 1 317.433 3.414 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327198 292295978 /nfs/dbraw/zinc/29/59/78/292295978.db2.gz KYOZZGLIXVGLBV-XHSDSOJGSA-N 2 1 317.433 3.286 20 5 DGBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000151117224 432221213 /nfs/dbraw/zinc/22/12/13/432221213.db2.gz CFJAEFSWEFTVPU-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000151117224 432221217 /nfs/dbraw/zinc/22/12/17/432221217.db2.gz CFJAEFSWEFTVPU-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302196564 230153037 /nfs/dbraw/zinc/15/30/37/230153037.db2.gz SRVMAGFKSYCHSB-ZDUSSCGKSA-N 2 1 314.389 3.205 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346497838 264042120 /nfs/dbraw/zinc/04/21/20/264042120.db2.gz UVHPHWKHZIDYCH-SUMWQHHRSA-N 2 1 313.357 3.204 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415064474 276053463 /nfs/dbraw/zinc/05/34/63/276053463.db2.gz KTAFHBJXPSPQIK-INIZCTEOSA-N 2 1 305.422 3.325 20 5 DGBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214407 276212391 /nfs/dbraw/zinc/21/23/91/276212391.db2.gz YNSDUPQWDZYPLB-SUMWQHHRSA-N 2 1 317.433 3.249 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000279044423 432928817 /nfs/dbraw/zinc/92/88/17/432928817.db2.gz XMKBFPHTOUGERP-UONOGXRCSA-N 2 1 314.389 3.013 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000453408594 433160783 /nfs/dbraw/zinc/16/07/83/433160783.db2.gz FLEHCGBVJLMVQL-AWEZNQCLSA-N 2 1 305.422 3.428 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414780930 433829074 /nfs/dbraw/zinc/82/90/74/433829074.db2.gz MDZLNHUMWXGATH-QWHCGFSZSA-N 2 1 323.824 3.070 20 5 DGBDMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840053 433871422 /nfs/dbraw/zinc/87/14/22/433871422.db2.gz MDGKQGKTHXTWNZ-CXSQMQJXSA-N 2 1 303.406 3.105 20 5 DGBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423266805 434324898 /nfs/dbraw/zinc/32/48/98/434324898.db2.gz SFTKDRRLUHNBIS-USXIJHARSA-N 2 1 319.449 3.269 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219245 434673598 /nfs/dbraw/zinc/67/35/98/434673598.db2.gz DJBYXVRCGKFCQT-BBRMVZONSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219245 434673602 /nfs/dbraw/zinc/67/36/02/434673602.db2.gz DJBYXVRCGKFCQT-BBRMVZONSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219245 434673610 /nfs/dbraw/zinc/67/36/10/434673610.db2.gz DJBYXVRCGKFCQT-BBRMVZONSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219245 434673614 /nfs/dbraw/zinc/67/36/14/434673614.db2.gz DJBYXVRCGKFCQT-BBRMVZONSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354219245 434673620 /nfs/dbraw/zinc/67/36/20/434673620.db2.gz DJBYXVRCGKFCQT-BBRMVZONSA-N 2 1 305.422 3.208 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000579971646 435196965 /nfs/dbraw/zinc/19/69/65/435196965.db2.gz GKINFUYQTBJJQU-INIZCTEOSA-N 2 1 303.406 3.046 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000532475442 435169369 /nfs/dbraw/zinc/16/93/69/435169369.db2.gz FBDDMKIAJLNKAR-CQSZACIVSA-N 2 1 317.433 3.428 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767983 435469616 /nfs/dbraw/zinc/46/96/16/435469616.db2.gz CHLCGRAGNWDABH-WMLDXEAASA-N 2 1 317.433 3.292 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767983 435469619 /nfs/dbraw/zinc/46/96/19/435469619.db2.gz CHLCGRAGNWDABH-WMLDXEAASA-N 2 1 317.433 3.292 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767982 435470341 /nfs/dbraw/zinc/47/03/41/435470341.db2.gz CHLCGRAGNWDABH-RHSMWYFYSA-N 2 1 317.433 3.292 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000568767982 435470345 /nfs/dbraw/zinc/47/03/45/435470345.db2.gz CHLCGRAGNWDABH-RHSMWYFYSA-N 2 1 317.433 3.292 20 5 DGBDMP C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[NH+](C)C ZINC000491589294 435776693 /nfs/dbraw/zinc/77/66/93/435776693.db2.gz PRIHKFASLFZGSP-CYBMUJFWSA-N 2 1 317.389 3.142 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000565769019 315286274 /nfs/dbraw/zinc/28/62/74/315286274.db2.gz AYVVQKDNNPVCMF-CYBMUJFWSA-N 2 1 309.410 3.032 20 5 DGBDMP CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000153947120 620626003 /nfs/dbraw/zinc/62/60/03/620626003.db2.gz SMFJUPLSVISYQE-ZDUSSCGKSA-N 2 1 311.813 3.022 20 5 DGBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839183479 621344780 /nfs/dbraw/zinc/34/47/80/621344780.db2.gz WWRFMGDQURBIBY-GFCCVEGCSA-N 2 1 311.813 3.070 20 5 DGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000880517790 624971196 /nfs/dbraw/zinc/97/11/96/624971196.db2.gz XCDRHEZYSGWRIG-UHFFFAOYSA-N 2 1 323.412 3.432 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177612 626277938 /nfs/dbraw/zinc/27/79/38/626277938.db2.gz YJFXKUONJITIIJ-OAHLLOKOSA-N 2 1 317.433 3.464 20 5 DGBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1)CC[NH2+]CC2 ZINC000818431126 628022672 /nfs/dbraw/zinc/02/26/72/628022672.db2.gz GGHBNSRHEBXARE-GFCCVEGCSA-N 2 1 323.824 3.212 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125821 630616385 /nfs/dbraw/zinc/61/63/85/630616385.db2.gz JHOFBBMNXKYEDL-CHWSQXEVSA-N 2 1 323.824 3.070 20 5 DGBDMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000845996373 631205024 /nfs/dbraw/zinc/20/50/24/631205024.db2.gz NWWIDEXWBHGICE-UHFFFAOYSA-N 2 1 313.829 3.316 20 5 DGBDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000845996373 631205026 /nfs/dbraw/zinc/20/50/26/631205026.db2.gz NWWIDEXWBHGICE-UHFFFAOYSA-N 2 1 313.829 3.316 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001621108428 1193803433 /nfs/dbraw/zinc/80/34/33/1193803433.db2.gz OUUBKJKDWAIGTH-DJIMGWMZSA-N 2 1 317.433 3.148 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001621108428 1193803435 /nfs/dbraw/zinc/80/34/35/1193803435.db2.gz OUUBKJKDWAIGTH-DJIMGWMZSA-N 2 1 317.433 3.148 20 5 DGBDMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CCCCC2)CC1 ZINC001168998324 1092479625 /nfs/dbraw/zinc/47/96/25/1092479625.db2.gz LHMKKGZDHUHXDP-JOCBIADPSA-N 2 1 323.481 3.336 20 5 DGBDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293144 1095507083 /nfs/dbraw/zinc/50/70/83/1095507083.db2.gz KMRXMAAHABXJKH-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293144 1095507089 /nfs/dbraw/zinc/50/70/89/1095507089.db2.gz KMRXMAAHABXJKH-CABCVRRESA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001173225304 1097374248 /nfs/dbraw/zinc/37/42/48/1097374248.db2.gz JHAVCLOASIWJML-HNNXBMFYSA-N 2 1 317.433 3.086 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326277884 1103253090 /nfs/dbraw/zinc/25/30/90/1103253090.db2.gz OVYLOSLTQQZCMQ-AWEZNQCLSA-N 2 1 303.406 3.121 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329499955 1104286135 /nfs/dbraw/zinc/28/61/35/1104286135.db2.gz XHWYJLJDCRJUMT-HNNXBMFYSA-N 2 1 317.433 3.430 20 5 DGBDMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246555575 1104592932 /nfs/dbraw/zinc/59/29/32/1104592932.db2.gz XTIJJYFLBIPTIX-FUHWJXTLSA-N 2 1 317.433 3.046 20 5 DGBDMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246555576 1104593889 /nfs/dbraw/zinc/59/38/89/1104593889.db2.gz XTIJJYFLBIPTIX-SJLPKXTDSA-N 2 1 317.433 3.046 20 5 DGBDMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567985 1106106031 /nfs/dbraw/zinc/10/60/31/1106106031.db2.gz DTCJZZSADUGAQR-OAHLLOKOSA-N 2 1 307.438 3.190 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881461 1107174940 /nfs/dbraw/zinc/17/49/40/1107174940.db2.gz WJXJSWDHYMZTAP-KDOFPFPSSA-N 2 1 317.433 3.294 20 5 DGBDMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000415139973 529964565 /nfs/dbraw/zinc/96/45/65/529964565.db2.gz YJVMMPMRTFUDKJ-UHFFFAOYSA-N 2 1 319.430 3.365 20 5 DGBDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000415139973 529964566 /nfs/dbraw/zinc/96/45/66/529964566.db2.gz YJVMMPMRTFUDKJ-UHFFFAOYSA-N 2 1 319.430 3.365 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000165302087 432054460 /nfs/dbraw/zinc/05/44/60/432054460.db2.gz MLBCKPXSZKHDMQ-HIFRSBDPSA-N 2 1 305.422 3.286 20 5 DGBDMP CC(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000449556704 240287218 /nfs/dbraw/zinc/28/72/18/240287218.db2.gz NPLJATGZOXSRCZ-MQVJKMGUSA-N 2 1 317.433 3.433 20 5 DGBDMP CC(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000449556704 240287223 /nfs/dbraw/zinc/28/72/23/240287223.db2.gz NPLJATGZOXSRCZ-MQVJKMGUSA-N 2 1 317.433 3.433 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@H+](C)C(C)C ZINC000468649206 244059470 /nfs/dbraw/zinc/05/94/70/244059470.db2.gz PEVOGASTXUYBFA-PTNGSMBKSA-N 2 1 305.422 3.318 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1cc[nH+]c1C ZINC000337948381 253198334 /nfs/dbraw/zinc/19/83/34/253198334.db2.gz DQXORHROVULMBB-KAMYIIQDSA-N 2 1 314.389 3.183 20 5 DGBDMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341174500 253758068 /nfs/dbraw/zinc/75/80/68/253758068.db2.gz KRJDTYLTJGLCBR-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000344792506 254305659 /nfs/dbraw/zinc/30/56/59/254305659.db2.gz NAMUWOIUEYAAMT-SCZPIIQISA-N 2 1 315.417 3.072 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000470174420 533380704 /nfs/dbraw/zinc/38/07/04/533380704.db2.gz KTWUBXMNSDIUFZ-PTNGSMBKSA-N 2 1 317.433 3.272 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000470174422 533407383 /nfs/dbraw/zinc/40/73/83/533407383.db2.gz KTWUBXMNSDIUFZ-RVDMUPIBSA-N 2 1 317.433 3.272 20 5 DGBDMP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601108032 400235169 /nfs/dbraw/zinc/23/51/69/400235169.db2.gz ASALSHDSQTYGJV-CYBMUJFWSA-N 2 1 314.389 3.110 20 5 DGBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000589195030 400273831 /nfs/dbraw/zinc/27/38/31/400273831.db2.gz BZLDSUGYAGBBHO-HOTGVXAUSA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000610799554 400308350 /nfs/dbraw/zinc/30/83/50/400308350.db2.gz SNOBLQNFTQVUEV-SOUVJXGZSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000610799554 400308357 /nfs/dbraw/zinc/30/83/57/400308357.db2.gz SNOBLQNFTQVUEV-SOUVJXGZSA-N 2 1 303.406 3.181 20 5 DGBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)o1 ZINC000591278587 400505361 /nfs/dbraw/zinc/50/53/61/400505361.db2.gz UHUKDJPPLIYWOH-ZDUSSCGKSA-N 2 1 315.373 3.087 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582692 400542343 /nfs/dbraw/zinc/54/23/43/400542343.db2.gz UFTRWLMOPQWBQS-UKRRQHHQSA-N 2 1 303.406 3.229 20 5 DGBDMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582668 400543133 /nfs/dbraw/zinc/54/31/33/400543133.db2.gz SSEBEHDJMKUTEI-GOEBONIOSA-N 2 1 303.406 3.310 20 5 DGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000603110001 400642833 /nfs/dbraw/zinc/64/28/33/400642833.db2.gz IXZXCWBQOSFRNO-UHFFFAOYSA-N 2 1 305.422 3.293 20 5 DGBDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433827 400649477 /nfs/dbraw/zinc/64/94/77/400649477.db2.gz ZADUROJDAPLGEH-IAGOWNOFSA-N 2 1 317.433 3.115 20 5 DGBDMP O=[N+]([O-])c1cccc(C[N@@H+](CCCC2CC[NH2+]CC2)C2CC2)c1 ZINC000592494402 400658194 /nfs/dbraw/zinc/65/81/94/400658194.db2.gz TYAKRBDQDGBVKO-UHFFFAOYSA-N 2 1 317.433 3.339 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000182850437 292296611 /nfs/dbraw/zinc/29/66/11/292296611.db2.gz WMBOBBCCUBPZRN-HDMKZQKVSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000182850437 292296613 /nfs/dbraw/zinc/29/66/13/292296613.db2.gz WMBOBBCCUBPZRN-HDMKZQKVSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000182850437 292296614 /nfs/dbraw/zinc/29/66/14/292296614.db2.gz WMBOBBCCUBPZRN-HDMKZQKVSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000182850437 292296615 /nfs/dbraw/zinc/29/66/15/292296615.db2.gz WMBOBBCCUBPZRN-HDMKZQKVSA-N 2 1 317.433 3.380 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364448476 287027789 /nfs/dbraw/zinc/02/77/89/287027789.db2.gz QKWZQFOJOPZPDI-HYVNUMGLSA-N 2 1 317.433 3.132 20 5 DGBDMP O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247031723 432193819 /nfs/dbraw/zinc/19/38/19/432193819.db2.gz YLBOBKAPQKBYFE-MAUKXSAKSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247031723 432193823 /nfs/dbraw/zinc/19/38/23/432193823.db2.gz YLBOBKAPQKBYFE-MAUKXSAKSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247031723 432193828 /nfs/dbraw/zinc/19/38/28/432193828.db2.gz YLBOBKAPQKBYFE-MAUKXSAKSA-N 2 1 315.417 3.044 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247031723 432193834 /nfs/dbraw/zinc/19/38/34/432193834.db2.gz YLBOBKAPQKBYFE-MAUKXSAKSA-N 2 1 315.417 3.044 20 5 DGBDMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000151111878 432219433 /nfs/dbraw/zinc/21/94/33/432219433.db2.gz PXDBTDDYQQRRES-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000151111878 432219437 /nfs/dbraw/zinc/21/94/37/432219437.db2.gz PXDBTDDYQQRRES-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000151111878 432219438 /nfs/dbraw/zinc/21/94/38/432219438.db2.gz PXDBTDDYQQRRES-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)C[NH3+] ZINC000346695073 264081757 /nfs/dbraw/zinc/08/17/57/264081757.db2.gz YDAFLETYYBRMGA-UHFFFAOYSA-N 2 1 317.389 3.272 20 5 DGBDMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000347140047 264163947 /nfs/dbraw/zinc/16/39/47/264163947.db2.gz VYYBXBCSMFYITF-WFASDCNBSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000347140047 264163948 /nfs/dbraw/zinc/16/39/48/264163948.db2.gz VYYBXBCSMFYITF-WFASDCNBSA-N 2 1 315.373 3.024 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182806604 432230694 /nfs/dbraw/zinc/23/06/94/432230694.db2.gz TZKFFRQCUOWQMY-HUUCEWRRSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182806604 432230699 /nfs/dbraw/zinc/23/06/99/432230699.db2.gz TZKFFRQCUOWQMY-HUUCEWRRSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182806604 432230702 /nfs/dbraw/zinc/23/07/02/432230702.db2.gz TZKFFRQCUOWQMY-HUUCEWRRSA-N 2 1 305.422 3.238 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182806604 432230705 /nfs/dbraw/zinc/23/07/05/432230705.db2.gz TZKFFRQCUOWQMY-HUUCEWRRSA-N 2 1 305.422 3.238 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000449092107 278298849 /nfs/dbraw/zinc/29/88/49/278298849.db2.gz LHRHKMZQOYWXDI-PMPSAXMXSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000449092107 278298851 /nfs/dbraw/zinc/29/88/51/278298851.db2.gz LHRHKMZQOYWXDI-PMPSAXMXSA-N 2 1 319.449 3.236 20 5 DGBDMP C[NH2+]CCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000070189798 431246683 /nfs/dbraw/zinc/24/66/83/431246683.db2.gz IPNXVGVXFIFZGN-UHFFFAOYSA-N 2 1 311.813 3.070 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270951214 432306753 /nfs/dbraw/zinc/30/67/53/432306753.db2.gz XMLYEEKNQSBHMC-UHFFFAOYSA-N 2 1 314.389 3.154 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270951214 432306758 /nfs/dbraw/zinc/30/67/58/432306758.db2.gz XMLYEEKNQSBHMC-UHFFFAOYSA-N 2 1 314.389 3.154 20 5 DGBDMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178256979 432712421 /nfs/dbraw/zinc/71/24/21/432712421.db2.gz JXYXXRZEGPBRRG-ZDUSSCGKSA-N 2 1 303.406 3.120 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178705228 432768882 /nfs/dbraw/zinc/76/88/82/432768882.db2.gz MDAKYXKFRUGPBD-OLZOCXBDSA-N 2 1 302.378 3.087 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266921610 432798727 /nfs/dbraw/zinc/79/87/27/432798727.db2.gz MGPQRAVCPHFOFW-CHWSQXEVSA-N 2 1 300.362 3.259 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680309 432925259 /nfs/dbraw/zinc/92/52/59/432925259.db2.gz YKDGLYRCUKRESL-DZGCQCFKSA-N 2 1 305.422 3.291 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680309 432925260 /nfs/dbraw/zinc/92/52/60/432925260.db2.gz YKDGLYRCUKRESL-DZGCQCFKSA-N 2 1 305.422 3.291 20 5 DGBDMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176439 433441941 /nfs/dbraw/zinc/44/19/41/433441941.db2.gz IZZIEPYUFDCJHZ-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000414769314 433824013 /nfs/dbraw/zinc/82/40/13/433824013.db2.gz NEUVQRIPNHRYLC-IYBDPMFKSA-N 2 1 317.433 3.150 20 5 DGBDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414796730 433843876 /nfs/dbraw/zinc/84/38/76/433843876.db2.gz OOPNPQDWEDABEK-HNNXBMFYSA-N 2 1 319.430 3.396 20 5 DGBDMP COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422944263 434126317 /nfs/dbraw/zinc/12/63/17/434126317.db2.gz LFAUKJPJBQQFSV-HIFRSBDPSA-N 2 1 321.421 3.004 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363924820 434188075 /nfs/dbraw/zinc/18/80/75/434188075.db2.gz SVOOSLGBIUJELK-JKSUJKDBSA-N 2 1 317.433 3.435 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363924820 434188082 /nfs/dbraw/zinc/18/80/82/434188082.db2.gz SVOOSLGBIUJELK-JKSUJKDBSA-N 2 1 317.433 3.435 20 5 DGBDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322737226 434263411 /nfs/dbraw/zinc/26/34/11/434263411.db2.gz XKBMCBZBYZBBSM-CHWSQXEVSA-N 2 1 314.389 3.346 20 5 DGBDMP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000423261114 434321064 /nfs/dbraw/zinc/32/10/64/434321064.db2.gz JBRLDCMBIMZVMB-CJNGLKHVSA-N 2 1 305.422 3.461 20 5 DGBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272557 434330796 /nfs/dbraw/zinc/33/07/96/434330796.db2.gz ZDSCLTWEQJVAER-WBMJQRKESA-N 2 1 305.422 3.280 20 5 DGBDMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219259 434675065 /nfs/dbraw/zinc/67/50/65/434675065.db2.gz DJBYXVRCGKFCQT-CZUORRHYSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219259 434675072 /nfs/dbraw/zinc/67/50/72/434675072.db2.gz DJBYXVRCGKFCQT-CZUORRHYSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219259 434675079 /nfs/dbraw/zinc/67/50/79/434675079.db2.gz DJBYXVRCGKFCQT-CZUORRHYSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219259 434675085 /nfs/dbraw/zinc/67/50/85/434675085.db2.gz DJBYXVRCGKFCQT-CZUORRHYSA-N 2 1 305.422 3.208 20 5 DGBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354219259 434675092 /nfs/dbraw/zinc/67/50/92/434675092.db2.gz DJBYXVRCGKFCQT-CZUORRHYSA-N 2 1 305.422 3.208 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531955837 435129332 /nfs/dbraw/zinc/12/93/32/435129332.db2.gz BFFFAYDWHKCIEG-ZDUSSCGKSA-N 2 1 302.378 3.149 20 5 DGBDMP CC[N@@H+](CCC[NH+](C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000583962100 435261779 /nfs/dbraw/zinc/26/17/79/435261779.db2.gz DRHAZHPGUHWAFE-NTCAYCPXSA-N 2 1 305.422 3.272 20 5 DGBDMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000535815213 435356347 /nfs/dbraw/zinc/35/63/47/435356347.db2.gz GORYUBVLXIUPAU-UHFFFAOYSA-N 2 1 319.449 3.455 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818646 435569637 /nfs/dbraw/zinc/56/96/37/435569637.db2.gz CAVPKYIISJLVPQ-FUZMGVLZSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818646 435569641 /nfs/dbraw/zinc/56/96/41/435569641.db2.gz CAVPKYIISJLVPQ-FUZMGVLZSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818646 435569645 /nfs/dbraw/zinc/56/96/45/435569645.db2.gz CAVPKYIISJLVPQ-FUZMGVLZSA-N 2 1 317.433 3.413 20 5 DGBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000571415719 435706091 /nfs/dbraw/zinc/70/60/91/435706091.db2.gz BLVOVQVQKAEWMF-KRWDZBQOSA-N 2 1 315.417 3.189 20 5 DGBDMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000435381221 534567168 /nfs/dbraw/zinc/56/71/68/534567168.db2.gz VLOQEHCGQREDTG-UHFFFAOYSA-N 2 1 317.414 3.246 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892510085 618090146 /nfs/dbraw/zinc/09/01/46/618090146.db2.gz GMAKBSDKYZHRDK-LLVKDONJSA-N 2 1 322.796 3.179 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000897465718 619130534 /nfs/dbraw/zinc/13/05/34/619130534.db2.gz GZQPHMWGCTZUIR-DZKIICNBSA-N 2 1 305.422 3.018 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000897465721 619130568 /nfs/dbraw/zinc/13/05/68/619130568.db2.gz GZQPHMWGCTZUIR-YCPHGPKFSA-N 2 1 305.422 3.018 20 5 DGBDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000903244876 619743642 /nfs/dbraw/zinc/74/36/42/619743642.db2.gz FWBAFUCHHCXDFS-XLNGHYISSA-N 2 1 317.433 3.161 20 5 DGBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839180087 621343481 /nfs/dbraw/zinc/34/34/81/621343481.db2.gz CFKOWEOHYYOZON-LBPRGKRZSA-N 2 1 311.813 3.070 20 5 DGBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000839182586 621343713 /nfs/dbraw/zinc/34/37/13/621343713.db2.gz NUGFPGFPOBGWPU-LBPRGKRZSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077767 622792922 /nfs/dbraw/zinc/79/29/22/622792922.db2.gz AXTBSPZDRBSXJR-OLZOCXBDSA-N 2 1 309.385 3.116 20 5 DGBDMP CCC[NH+]1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873009488 623016995 /nfs/dbraw/zinc/01/69/95/623016995.db2.gz LUGLUOIVLYYCEA-UHFFFAOYSA-N 2 1 305.422 3.176 20 5 DGBDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029930 623021451 /nfs/dbraw/zinc/02/14/51/623021451.db2.gz WCOGAKXOKLFHIG-HNNXBMFYSA-N 2 1 305.422 3.033 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873029930 623021455 /nfs/dbraw/zinc/02/14/55/623021455.db2.gz WCOGAKXOKLFHIG-HNNXBMFYSA-N 2 1 305.422 3.033 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876759304 623699177 /nfs/dbraw/zinc/69/91/77/623699177.db2.gz ONIYRXMHFCLLMN-MRXNPFEDSA-N 2 1 317.433 3.129 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876759304 623699179 /nfs/dbraw/zinc/69/91/79/623699179.db2.gz ONIYRXMHFCLLMN-MRXNPFEDSA-N 2 1 317.433 3.129 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000877478338 623902492 /nfs/dbraw/zinc/90/24/92/623902492.db2.gz MYDQMQPGIRTPQI-HNNXBMFYSA-N 2 1 305.422 3.128 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000877478338 623902495 /nfs/dbraw/zinc/90/24/95/623902495.db2.gz MYDQMQPGIRTPQI-HNNXBMFYSA-N 2 1 305.422 3.128 20 5 DGBDMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000796840401 626088511 /nfs/dbraw/zinc/08/85/11/626088511.db2.gz WWENWQIQBNJRRV-BPUTZDHNSA-N 2 1 323.824 3.211 20 5 DGBDMP C[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000796840401 626088513 /nfs/dbraw/zinc/08/85/13/626088513.db2.gz WWENWQIQBNJRRV-BPUTZDHNSA-N 2 1 323.824 3.211 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817907885 627958945 /nfs/dbraw/zinc/95/89/45/627958945.db2.gz YNWXZGMCTGSALB-CWRNSKLLSA-N 2 1 323.824 3.259 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125827 630616273 /nfs/dbraw/zinc/61/62/73/630616273.db2.gz JHOFBBMNXKYEDL-STQMWFEESA-N 2 1 323.824 3.070 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125603 630616355 /nfs/dbraw/zinc/61/63/55/630616355.db2.gz YNTZGUWENLZJOP-QWHCGFSZSA-N 2 1 323.824 3.070 20 5 DGBDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357098 630649374 /nfs/dbraw/zinc/64/93/74/630649374.db2.gz CHRIXYWNRLMGDC-UHFFFAOYSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000261678286 656962231 /nfs/dbraw/zinc/96/22/31/656962231.db2.gz GTMVYLHTMUXEAH-QGZVFWFLSA-N 2 1 315.373 3.026 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262039971 657297381 /nfs/dbraw/zinc/29/73/81/657297381.db2.gz BROXDEXLVOZNEI-HNNXBMFYSA-N 2 1 323.824 3.212 20 5 DGBDMP Cc1c(C[NH2+]CC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC001662173493 1196690163 /nfs/dbraw/zinc/69/01/63/1196690163.db2.gz KULINMHHXNAMQP-UHFFFAOYSA-N 2 1 305.422 3.115 20 5 DGBDMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CCCCC2)CC1 ZINC001168998326 1092478411 /nfs/dbraw/zinc/47/84/11/1092478411.db2.gz LHMKKGZDHUHXDP-UOVPBQLFSA-N 2 1 323.481 3.336 20 5 DGBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCC[N+](C)(C)C ZINC001224624835 1096249202 /nfs/dbraw/zinc/24/92/02/1096249202.db2.gz ZUPVSTJBIOPALF-HKUYNNGSSA-N 2 1 305.486 3.010 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001173228678 1097375953 /nfs/dbraw/zinc/37/59/53/1097375953.db2.gz JMYPERSJPGVDEX-WBVHZDCISA-N 2 1 319.449 3.367 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001173230348 1097376244 /nfs/dbraw/zinc/37/62/44/1097376244.db2.gz DXEAJMLPKBBYKK-ZDUSSCGKSA-N 2 1 314.389 3.062 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246635499 1104638936 /nfs/dbraw/zinc/63/89/36/1104638936.db2.gz ROJSLIWYZXNGMU-CRAIPNDOSA-N 2 1 317.433 3.134 20 5 DGBDMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254567984 1106106183 /nfs/dbraw/zinc/10/61/83/1106106183.db2.gz DTCJZZSADUGAQR-HNNXBMFYSA-N 2 1 307.438 3.190 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001308570249 1111445462 /nfs/dbraw/zinc/44/54/62/1111445462.db2.gz KTWJHLWILSYZFU-CRAIPNDOSA-N 2 1 317.433 3.128 20 5 DGBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308593370 1111448174 /nfs/dbraw/zinc/44/81/74/1111448174.db2.gz HPEHWQGRJAWRDJ-INIZCTEOSA-N 2 1 319.449 3.375 20 5 DGBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308593370 1111448178 /nfs/dbraw/zinc/44/81/78/1111448178.db2.gz HPEHWQGRJAWRDJ-INIZCTEOSA-N 2 1 319.449 3.375 20 5 DGBDMP CC(C)N(CC[C@H]1CCC[N@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409408 432056995 /nfs/dbraw/zinc/05/69/95/432056995.db2.gz DRLSXUWVQXXODM-MRXNPFEDSA-N 2 1 305.422 3.290 20 5 DGBDMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409408 432056998 /nfs/dbraw/zinc/05/69/98/432056998.db2.gz DRLSXUWVQXXODM-MRXNPFEDSA-N 2 1 305.422 3.290 20 5 DGBDMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179409408 432057001 /nfs/dbraw/zinc/05/70/01/432057001.db2.gz DRLSXUWVQXXODM-MRXNPFEDSA-N 2 1 305.422 3.290 20 5 DGBDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543772 241166017 /nfs/dbraw/zinc/16/60/17/241166017.db2.gz CRQLBOKWMBNBTN-DLBZAZTESA-N 2 1 317.433 3.259 20 5 DGBDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543772 241166019 /nfs/dbraw/zinc/16/60/19/241166019.db2.gz CRQLBOKWMBNBTN-DLBZAZTESA-N 2 1 317.433 3.259 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268893960 432147223 /nfs/dbraw/zinc/14/72/23/432147223.db2.gz VFXVHLLLEVGEBK-ZDUSSCGKSA-N 2 1 302.378 3.149 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1cc[nH+]c1C ZINC000337948382 253198535 /nfs/dbraw/zinc/19/85/35/253198535.db2.gz DQXORHROVULMBB-SDNWHVSQSA-N 2 1 314.389 3.183 20 5 DGBDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094077 400315607 /nfs/dbraw/zinc/31/56/07/400315607.db2.gz JFAHHGWXDVSELL-GOEBONIOSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094077 400315613 /nfs/dbraw/zinc/31/56/13/400315613.db2.gz JFAHHGWXDVSELL-GOEBONIOSA-N 2 1 317.433 3.367 20 5 DGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)o2)cc1 ZINC000591278596 400505896 /nfs/dbraw/zinc/50/58/96/400505896.db2.gz WNCRUGXRBHNXAY-AWEZNQCLSA-N 2 1 315.373 3.087 20 5 DGBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602514076 400484670 /nfs/dbraw/zinc/48/46/70/400484670.db2.gz LDTQQTIOAYSTTO-MRXNPFEDSA-N 2 1 319.449 3.239 20 5 DGBDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433829 400649172 /nfs/dbraw/zinc/64/91/72/400649172.db2.gz ZADUROJDAPLGEH-SJORKVTESA-N 2 1 317.433 3.115 20 5 DGBDMP Cc1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492868 400658468 /nfs/dbraw/zinc/65/84/68/400658468.db2.gz FCQGMTXYBLWDQK-RDJZCZTQSA-N 2 1 317.433 3.115 20 5 DGBDMP C[N@H+]1CCCC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599142301 400975088 /nfs/dbraw/zinc/97/50/88/400975088.db2.gz SVWQUNQMHVPXGX-ZDUSSCGKSA-N 2 1 314.389 3.287 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000247147057 432207718 /nfs/dbraw/zinc/20/77/18/432207718.db2.gz SRMFLWRBHMRNAF-WMLDXEAASA-N 2 1 305.422 3.367 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000151127222 432220825 /nfs/dbraw/zinc/22/08/25/432220825.db2.gz SRMFLWRBHMRNAF-YOEHRIQHSA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000270626034 432267374 /nfs/dbraw/zinc/26/73/74/432267374.db2.gz KVPKOQIFVGJHGA-UHFFFAOYSA-N 2 1 316.405 3.400 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000270626034 432267378 /nfs/dbraw/zinc/26/73/78/432267378.db2.gz KVPKOQIFVGJHGA-UHFFFAOYSA-N 2 1 316.405 3.400 20 5 DGBDMP Cc1cc(NCC2=CC[N@@H+](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000273572166 432612915 /nfs/dbraw/zinc/61/29/15/432612915.db2.gz ALHBDOBPNDTLAL-UHFFFAOYSA-N 2 1 312.373 3.125 20 5 DGBDMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000178703810 432768909 /nfs/dbraw/zinc/76/89/09/432768909.db2.gz JPSAJGNZIPQIGC-DYVFJYSZSA-N 2 1 316.405 3.477 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337276435 433218332 /nfs/dbraw/zinc/21/83/32/433218332.db2.gz QWPHUWDDTXSDHX-HNNXBMFYSA-N 2 1 305.422 3.382 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337276435 433218340 /nfs/dbraw/zinc/21/83/40/433218340.db2.gz QWPHUWDDTXSDHX-HNNXBMFYSA-N 2 1 305.422 3.382 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000447546469 433222953 /nfs/dbraw/zinc/22/29/53/433222953.db2.gz WBZVJYBEEINEKY-SUYBPPKGSA-N 2 1 303.406 3.045 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000447546469 433222957 /nfs/dbraw/zinc/22/29/57/433222957.db2.gz WBZVJYBEEINEKY-SUYBPPKGSA-N 2 1 303.406 3.045 20 5 DGBDMP CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758436 433555557 /nfs/dbraw/zinc/55/55/57/433555557.db2.gz AAINXYFTFVAHLE-YIONKMFJSA-N 2 1 323.824 3.305 20 5 DGBDMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000414840059 433873818 /nfs/dbraw/zinc/87/38/18/433873818.db2.gz MDGKQGKTHXTWNZ-VGZDNEPHSA-N 2 1 303.406 3.105 20 5 DGBDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414807443 433848172 /nfs/dbraw/zinc/84/81/72/433848172.db2.gz QZVNWTXYOHTWIX-OAHLLOKOSA-N 2 1 317.414 3.150 20 5 DGBDMP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414888113 433899178 /nfs/dbraw/zinc/89/91/78/433899178.db2.gz JUDLXJZVQQEEIL-AWEZNQCLSA-N 2 1 317.414 3.150 20 5 DGBDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000414948674 433928870 /nfs/dbraw/zinc/92/88/70/433928870.db2.gz MNRJMJYCEYDLOA-GXTWGEPZSA-N 2 1 315.373 3.085 20 5 DGBDMP COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422944265 434126371 /nfs/dbraw/zinc/12/63/71/434126371.db2.gz LFAUKJPJBQQFSV-ZFWWWQNUSA-N 2 1 321.421 3.004 20 5 DGBDMP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322737227 434262329 /nfs/dbraw/zinc/26/23/29/434262329.db2.gz XKBMCBZBYZBBSM-OLZOCXBDSA-N 2 1 314.389 3.346 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000423266386 434324529 /nfs/dbraw/zinc/32/45/29/434324529.db2.gz RUTPLPYMAVPRNA-XJKSGUPXSA-N 2 1 305.422 3.461 20 5 DGBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423266804 434324926 /nfs/dbraw/zinc/32/49/26/434324926.db2.gz SFTKDRRLUHNBIS-UAGQMJEPSA-N 2 1 319.449 3.269 20 5 DGBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423266802 434325009 /nfs/dbraw/zinc/32/50/09/434325009.db2.gz SFTKDRRLUHNBIS-DJIMGWMZSA-N 2 1 319.449 3.269 20 5 DGBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272554 434330011 /nfs/dbraw/zinc/33/00/11/434330011.db2.gz ZDSCLTWEQJVAER-BLLLJJGKSA-N 2 1 305.422 3.280 20 5 DGBDMP Cc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000360164177 434539395 /nfs/dbraw/zinc/53/93/95/434539395.db2.gz GGJVSDXBGQLOPG-UHFFFAOYSA-N 2 1 305.422 3.115 20 5 DGBDMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464181 434979219 /nfs/dbraw/zinc/97/92/19/434979219.db2.gz AIXFXOMXPPUSLV-QGZVFWFLSA-N 2 1 317.433 3.292 20 5 DGBDMP Cc1c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000478476306 435301763 /nfs/dbraw/zinc/30/17/63/435301763.db2.gz BRGXRIPFSWYDCG-UHFFFAOYSA-N 2 1 317.433 3.400 20 5 DGBDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000513100109 435376613 /nfs/dbraw/zinc/37/66/13/435376613.db2.gz GSYPEJRLWWUTLD-OTMARIDSSA-N 2 1 317.433 3.462 20 5 DGBDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000513100109 435376619 /nfs/dbraw/zinc/37/66/19/435376619.db2.gz GSYPEJRLWWUTLD-OTMARIDSSA-N 2 1 317.433 3.462 20 5 DGBDMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563634571 315129089 /nfs/dbraw/zinc/12/90/89/315129089.db2.gz DFOCMHQDHWQELT-IOASZLSFSA-N 2 1 303.406 3.045 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577648806 316256818 /nfs/dbraw/zinc/25/68/18/316256818.db2.gz KHUGSMLHXVSVRQ-MLGOLLRUSA-N 2 1 314.389 3.013 20 5 DGBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000728572259 576189129 /nfs/dbraw/zinc/18/91/29/576189129.db2.gz VWKVZSNBJGYWAJ-UHFFFAOYSA-N 2 1 323.412 3.286 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000728572259 576189130 /nfs/dbraw/zinc/18/91/30/576189130.db2.gz VWKVZSNBJGYWAJ-UHFFFAOYSA-N 2 1 323.412 3.286 20 5 DGBDMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC000841004789 619148714 /nfs/dbraw/zinc/14/87/14/619148714.db2.gz XCUPITPEQFECIZ-VXGBXAGGSA-N 2 1 311.813 3.068 20 5 DGBDMP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878598 619827790 /nfs/dbraw/zinc/82/77/90/619827790.db2.gz JFLOCDQSUFKOTM-QXMXGUDHSA-N 2 1 323.824 3.211 20 5 DGBDMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000789558901 625525629 /nfs/dbraw/zinc/52/56/29/625525629.db2.gz DWVQONPYPXANMN-UHFFFAOYSA-N 2 1 323.824 3.308 20 5 DGBDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000789558901 625525632 /nfs/dbraw/zinc/52/56/32/625525632.db2.gz DWVQONPYPXANMN-UHFFFAOYSA-N 2 1 323.824 3.308 20 5 DGBDMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026167 622760006 /nfs/dbraw/zinc/76/00/06/622760006.db2.gz YKABPRKGIINMRS-QWHCGFSZSA-N 2 1 323.462 3.309 20 5 DGBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872026167 622760009 /nfs/dbraw/zinc/76/00/09/622760009.db2.gz YKABPRKGIINMRS-QWHCGFSZSA-N 2 1 323.462 3.309 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000873016319 623017534 /nfs/dbraw/zinc/01/75/34/623017534.db2.gz JOENDMPCKKUMQS-UHFFFAOYSA-N 2 1 317.433 3.176 20 5 DGBDMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000925310432 627729132 /nfs/dbraw/zinc/72/91/32/627729132.db2.gz AJXRZNOOEQLULD-UHFFFAOYSA-N 2 1 305.422 3.195 20 5 DGBDMP Cc1c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC001461429645 1182812849 /nfs/dbraw/zinc/81/28/49/1182812849.db2.gz GZPVDQOJJJCBAL-AWEZNQCLSA-N 2 1 305.422 3.257 20 5 DGBDMP CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]2CCC[NH2+][C@H]21 ZINC001576389074 1191580195 /nfs/dbraw/zinc/58/01/95/1191580195.db2.gz FNISXLKIISNXND-KCPJHIHWSA-N 2 1 323.824 3.114 20 5 DGBDMP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001661625440 1196625451 /nfs/dbraw/zinc/62/54/51/1196625451.db2.gz JEIGHUYFZKXUHF-UHFFFAOYSA-N 2 1 317.433 3.482 20 5 DGBDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1C ZINC001181505385 1083479722 /nfs/dbraw/zinc/47/97/22/1083479722.db2.gz DZQDZVUXZHAEFY-UHFFFAOYSA-N 2 1 305.422 3.211 20 5 DGBDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc([N+](=O)[O-])c1C ZINC001181505385 1083479726 /nfs/dbraw/zinc/47/97/26/1083479726.db2.gz DZQDZVUXZHAEFY-UHFFFAOYSA-N 2 1 305.422 3.211 20 5 DGBDMP O=[N+]([O-])c1ccc(CCN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206715485 1090607916 /nfs/dbraw/zinc/60/79/16/1090607916.db2.gz SLOXHRCIPHTSMX-MRXNPFEDSA-N 2 1 317.433 3.134 20 5 DGBDMP O=[N+]([O-])c1ccc(CCN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206715485 1090607920 /nfs/dbraw/zinc/60/79/20/1090607920.db2.gz SLOXHRCIPHTSMX-MRXNPFEDSA-N 2 1 317.433 3.134 20 5 DGBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC001206715485 1090607923 /nfs/dbraw/zinc/60/79/23/1090607923.db2.gz SLOXHRCIPHTSMX-MRXNPFEDSA-N 2 1 317.433 3.134 20 5 DGBDMP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001206715485 1090607927 /nfs/dbraw/zinc/60/79/27/1090607927.db2.gz SLOXHRCIPHTSMX-MRXNPFEDSA-N 2 1 317.433 3.134 20 5 DGBDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173228910 1097376223 /nfs/dbraw/zinc/37/62/23/1097376223.db2.gz NNCFITSFAZLLBD-DAYGRLMNSA-N 2 1 319.449 3.234 20 5 DGBDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001254550335 1106101655 /nfs/dbraw/zinc/10/16/55/1106101655.db2.gz HUWZARCSSSDCQK-INMHGKMJSA-N 2 1 319.449 3.234 20 5 DGBDMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000415140924 529964559 /nfs/dbraw/zinc/96/45/59/529964559.db2.gz ZVUOJVKQKOILNV-UHFFFAOYSA-N 2 1 319.430 3.365 20 5 DGBDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000415140924 529964560 /nfs/dbraw/zinc/96/45/60/529964560.db2.gz ZVUOJVKQKOILNV-UHFFFAOYSA-N 2 1 319.430 3.365 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449081462 240007365 /nfs/dbraw/zinc/00/73/65/240007365.db2.gz FMCNIHAOWQBLSI-OAGGEKHMSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000449081462 240007369 /nfs/dbraw/zinc/00/73/69/240007369.db2.gz FMCNIHAOWQBLSI-OAGGEKHMSA-N 2 1 319.449 3.236 20 5 DGBDMP CCC[NH+]1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092165397 193170163 /nfs/dbraw/zinc/17/01/63/193170163.db2.gz XRRNHAUOOHTUDY-SOFGYWHQSA-N 2 1 317.433 3.414 20 5 DGBDMP CCC[NH+]1CCC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092165397 193170165 /nfs/dbraw/zinc/17/01/65/193170165.db2.gz XRRNHAUOOHTUDY-SOFGYWHQSA-N 2 1 317.433 3.414 20 5 DGBDMP CC(C)[NH2+]C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601111648 400236549 /nfs/dbraw/zinc/23/65/49/400236549.db2.gz WMOUWBWEKJHTBA-UHFFFAOYSA-N 2 1 314.389 3.110 20 5 DGBDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094076 400315769 /nfs/dbraw/zinc/31/57/69/400315769.db2.gz JFAHHGWXDVSELL-GDBMZVCRSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000596094076 400315775 /nfs/dbraw/zinc/31/57/75/400315775.db2.gz JFAHHGWXDVSELL-GDBMZVCRSA-N 2 1 317.433 3.367 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282903 400506075 /nfs/dbraw/zinc/50/60/75/400506075.db2.gz YYPTVYOPLSQZSW-HNNXBMFYSA-N 2 1 317.433 3.483 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493982 400658529 /nfs/dbraw/zinc/65/85/29/400658529.db2.gz YFEQXCANLCHRIM-OAGGEKHMSA-N 2 1 317.433 3.367 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599069313 400949205 /nfs/dbraw/zinc/94/92/05/400949205.db2.gz FZGOJRYROVDBEG-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599069313 400949214 /nfs/dbraw/zinc/94/92/14/400949214.db2.gz FZGOJRYROVDBEG-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[NH+](CC)CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000056494185 400930017 /nfs/dbraw/zinc/93/00/17/400930017.db2.gz VSRPSKCPNZDJHK-UHFFFAOYSA-N 2 1 311.451 3.210 20 5 DGBDMP CC[N@H+]1CCC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599033764 400933391 /nfs/dbraw/zinc/93/33/91/400933391.db2.gz CFWUQETYZIRGLF-CYBMUJFWSA-N 2 1 314.389 3.287 20 5 DGBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000255393958 401104840 /nfs/dbraw/zinc/10/48/40/401104840.db2.gz GJCKUFWFWRTEEF-BJESKFFQSA-N 2 1 315.417 3.024 20 5 DGBDMP C[N@H+]1CCC[C@@H]2C[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000255393958 401104843 /nfs/dbraw/zinc/10/48/43/401104843.db2.gz GJCKUFWFWRTEEF-BJESKFFQSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000255393958 401104846 /nfs/dbraw/zinc/10/48/46/401104846.db2.gz GJCKUFWFWRTEEF-BJESKFFQSA-N 2 1 315.417 3.024 20 5 DGBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000255393958 401104850 /nfs/dbraw/zinc/10/48/50/401104850.db2.gz GJCKUFWFWRTEEF-BJESKFFQSA-N 2 1 315.417 3.024 20 5 DGBDMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000151111813 432219021 /nfs/dbraw/zinc/21/90/21/432219021.db2.gz PXDBTDDYQQRRES-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000151111813 432219024 /nfs/dbraw/zinc/21/90/24/432219024.db2.gz PXDBTDDYQQRRES-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000151111813 432219030 /nfs/dbraw/zinc/21/90/30/432219030.db2.gz PXDBTDDYQQRRES-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346665663 264076316 /nfs/dbraw/zinc/07/63/16/264076316.db2.gz DGDVSDZDPSOOOE-OLZOCXBDSA-N 2 1 315.373 3.024 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023868 264141908 /nfs/dbraw/zinc/14/19/08/264141908.db2.gz QFSDMDVTVPKFBW-HIFRSBDPSA-N 2 1 305.422 3.277 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000347023868 264141911 /nfs/dbraw/zinc/14/19/11/264141911.db2.gz QFSDMDVTVPKFBW-HIFRSBDPSA-N 2 1 305.422 3.277 20 5 DGBDMP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1[NH3+] ZINC000347043363 264146344 /nfs/dbraw/zinc/14/63/44/264146344.db2.gz MEKYLUPSNFMDDB-BLLLJJGKSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1[NH3+] ZINC000347043363 264146345 /nfs/dbraw/zinc/14/63/45/264146345.db2.gz MEKYLUPSNFMDDB-BLLLJJGKSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1[NH3+] ZINC000347106880 264157243 /nfs/dbraw/zinc/15/72/43/264157243.db2.gz MCOLTRHKXYRZEM-BLLLJJGKSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1[NH3+] ZINC000347106880 264157245 /nfs/dbraw/zinc/15/72/45/264157245.db2.gz MCOLTRHKXYRZEM-BLLLJJGKSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000331987536 274394303 /nfs/dbraw/zinc/39/43/03/274394303.db2.gz MCJKZRLBYXVIHF-WQGACYEGSA-N 2 1 303.406 3.047 20 5 DGBDMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482515325 276108868 /nfs/dbraw/zinc/10/88/68/276108868.db2.gz WPMLEERQFSNVQW-WMLDXEAASA-N 2 1 319.449 3.236 20 5 DGBDMP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000331992801 278369979 /nfs/dbraw/zinc/36/99/79/278369979.db2.gz MSJFXTVMNPPANQ-BZUAXINKSA-N 2 1 303.406 3.177 20 5 DGBDMP C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000425919916 279348623 /nfs/dbraw/zinc/34/86/23/279348623.db2.gz GSQXEFFDUWZQBO-MLGOLLRUSA-N 2 1 305.422 3.105 20 5 DGBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000480187373 279354573 /nfs/dbraw/zinc/35/45/73/279354573.db2.gz CDIFINLTWJYIES-KRWDZBQOSA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000178410219 432731624 /nfs/dbraw/zinc/73/16/24/432731624.db2.gz YKNVBGCWCBEWQY-HNNXBMFYSA-N 2 1 305.422 3.430 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420305410 433154363 /nfs/dbraw/zinc/15/43/63/433154363.db2.gz KDOVYMVVEDRNHP-WRFANHODSA-N 2 1 303.406 3.023 20 5 DGBDMP C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000425919917 433375000 /nfs/dbraw/zinc/37/50/00/433375000.db2.gz GSQXEFFDUWZQBO-WBMJQRKESA-N 2 1 305.422 3.105 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414173006 433438412 /nfs/dbraw/zinc/43/84/12/433438412.db2.gz FYBGVDHPXFQLGT-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414689812 433791410 /nfs/dbraw/zinc/79/14/10/433791410.db2.gz LVCOLRTTXYVQSM-HOCLYGCPSA-N 2 1 305.422 3.193 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363924818 434188404 /nfs/dbraw/zinc/18/84/04/434188404.db2.gz SVOOSLGBIUJELK-HZPDHXFCSA-N 2 1 317.433 3.435 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363924818 434188413 /nfs/dbraw/zinc/18/84/13/434188413.db2.gz SVOOSLGBIUJELK-HZPDHXFCSA-N 2 1 317.433 3.435 20 5 DGBDMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000322820729 434261928 /nfs/dbraw/zinc/26/19/28/434261928.db2.gz CEKNZHNLJBETCJ-UCMJJCQDSA-N 2 1 303.406 3.261 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423327071 434366668 /nfs/dbraw/zinc/36/66/68/434366668.db2.gz CUWWETNUCUGSRV-CXAGYDPISA-N 2 1 321.421 3.034 20 5 DGBDMP CC(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486990 434903194 /nfs/dbraw/zinc/90/31/94/434903194.db2.gz DIIXBUDLWRORBA-WMLDXEAASA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486990 434903200 /nfs/dbraw/zinc/90/32/00/434903200.db2.gz DIIXBUDLWRORBA-WMLDXEAASA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486990 434903202 /nfs/dbraw/zinc/90/32/02/434903202.db2.gz DIIXBUDLWRORBA-WMLDXEAASA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486990 434903204 /nfs/dbraw/zinc/90/32/04/434903204.db2.gz DIIXBUDLWRORBA-WMLDXEAASA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486990 434903206 /nfs/dbraw/zinc/90/32/06/434903206.db2.gz DIIXBUDLWRORBA-WMLDXEAASA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000523702274 434957410 /nfs/dbraw/zinc/95/74/10/434957410.db2.gz MFPOXRYNLDHZEI-UHFFFAOYSA-N 2 1 319.449 3.190 20 5 DGBDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556923023 435039062 /nfs/dbraw/zinc/03/90/62/435039062.db2.gz HDQHTLNTFCYPIO-RDJZCZTQSA-N 2 1 319.449 3.380 20 5 DGBDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556923023 435039064 /nfs/dbraw/zinc/03/90/64/435039064.db2.gz HDQHTLNTFCYPIO-RDJZCZTQSA-N 2 1 319.449 3.380 20 5 DGBDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000569222323 435514296 /nfs/dbraw/zinc/51/42/96/435514296.db2.gz WLUJVHHXOKRDGL-CABCVRRESA-N 2 1 307.438 3.234 20 5 DGBDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000569222323 435514298 /nfs/dbraw/zinc/51/42/98/435514298.db2.gz WLUJVHHXOKRDGL-CABCVRRESA-N 2 1 307.438 3.234 20 5 DGBDMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000568898006 435482537 /nfs/dbraw/zinc/48/25/37/435482537.db2.gz HQZUNILJHLDYGX-UHFFFAOYSA-N 2 1 316.405 3.172 20 5 DGBDMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000568898006 435482540 /nfs/dbraw/zinc/48/25/40/435482540.db2.gz HQZUNILJHLDYGX-UHFFFAOYSA-N 2 1 316.405 3.172 20 5 DGBDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000580744508 324032999 /nfs/dbraw/zinc/03/29/99/324032999.db2.gz WLUJVHHXOKRDGL-HUUCEWRRSA-N 2 1 307.438 3.234 20 5 DGBDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000580744508 324033003 /nfs/dbraw/zinc/03/30/03/324033003.db2.gz WLUJVHHXOKRDGL-HUUCEWRRSA-N 2 1 307.438 3.234 20 5 DGBDMP C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000852760263 620646682 /nfs/dbraw/zinc/64/66/82/620646682.db2.gz XGWHHKUYIAJIEH-IUODEOHRSA-N 2 1 309.385 3.073 20 5 DGBDMP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000903106324 619717964 /nfs/dbraw/zinc/71/79/64/619717964.db2.gz HDWZWWUHRBRHCZ-CFVMTHIKSA-N 2 1 321.421 3.127 20 5 DGBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000768338068 622450906 /nfs/dbraw/zinc/45/09/06/622450906.db2.gz YKPAJTVYPCROJV-UHFFFAOYSA-N 2 1 313.401 3.288 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000872030769 622763315 /nfs/dbraw/zinc/76/33/15/622763315.db2.gz JGFNQHHPHWVGTE-LLVKDONJSA-N 2 1 320.418 3.172 20 5 DGBDMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000872251819 622867081 /nfs/dbraw/zinc/86/70/81/622867081.db2.gz NQYVCJGUDVWUOE-LBPRGKRZSA-N 2 1 311.813 3.116 20 5 DGBDMP Cc1c(C[NH2+]C2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000873024929 623020720 /nfs/dbraw/zinc/02/07/20/623020720.db2.gz FDLULEKBEMCTGW-UHFFFAOYSA-N 2 1 303.406 3.010 20 5 DGBDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000878865406 624375587 /nfs/dbraw/zinc/37/55/87/624375587.db2.gz YHJWQQYGYGPYFT-UHFFFAOYSA-N 2 1 323.824 3.166 20 5 DGBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177611 626277833 /nfs/dbraw/zinc/27/78/33/626277833.db2.gz YJFXKUONJITIIJ-HNNXBMFYSA-N 2 1 317.433 3.464 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809752568 626946637 /nfs/dbraw/zinc/94/66/37/626946637.db2.gz GJOIAVWSBCUFQX-UHFFFAOYSA-N 2 1 322.796 3.275 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809752568 626946639 /nfs/dbraw/zinc/94/66/39/626946639.db2.gz GJOIAVWSBCUFQX-UHFFFAOYSA-N 2 1 322.796 3.275 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868140 627211664 /nfs/dbraw/zinc/21/16/64/627211664.db2.gz WJTDJUWIQKQTFE-WMLDXEAASA-N 2 1 303.406 3.121 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868140 627211665 /nfs/dbraw/zinc/21/16/65/627211665.db2.gz WJTDJUWIQKQTFE-WMLDXEAASA-N 2 1 303.406 3.121 20 5 DGBDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113284 1193804592 /nfs/dbraw/zinc/80/45/92/1193804592.db2.gz CPXZOZSSFFBOTI-MRXNPFEDSA-N 2 1 319.449 3.375 20 5 DGBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113284 1193804593 /nfs/dbraw/zinc/80/45/93/1193804593.db2.gz CPXZOZSSFFBOTI-MRXNPFEDSA-N 2 1 319.449 3.375 20 5 DGBDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113284 1193804598 /nfs/dbraw/zinc/80/45/98/1193804598.db2.gz CPXZOZSSFFBOTI-MRXNPFEDSA-N 2 1 319.449 3.375 20 5 DGBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001621113284 1193804600 /nfs/dbraw/zinc/80/46/00/1193804600.db2.gz CPXZOZSSFFBOTI-MRXNPFEDSA-N 2 1 319.449 3.375 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596025 1196910804 /nfs/dbraw/zinc/91/08/04/1196910804.db2.gz VUEPURWVOCGLFI-YOEHRIQHSA-N 2 1 319.449 3.374 20 5 DGBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596025 1196910806 /nfs/dbraw/zinc/91/08/06/1196910806.db2.gz VUEPURWVOCGLFI-YOEHRIQHSA-N 2 1 319.449 3.374 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC001663596025 1196910807 /nfs/dbraw/zinc/91/08/07/1196910807.db2.gz VUEPURWVOCGLFI-YOEHRIQHSA-N 2 1 319.449 3.374 20 5 DGBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCC[N+](C)(C)C ZINC001224624839 1096248813 /nfs/dbraw/zinc/24/88/13/1096248813.db2.gz ZUPVSTJBIOPALF-MJGOQNOKSA-N 2 1 305.486 3.010 20 5 DGBDMP C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001193251012 1100721397 /nfs/dbraw/zinc/72/13/97/1100721397.db2.gz SYXPGMGODIFBBJ-GOEBONIOSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001193251012 1100721401 /nfs/dbraw/zinc/72/14/01/1100721401.db2.gz SYXPGMGODIFBBJ-GOEBONIOSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246635500 1104638387 /nfs/dbraw/zinc/63/83/87/1104638387.db2.gz ROJSLIWYZXNGMU-MAUKXSAKSA-N 2 1 317.433 3.134 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650100 1104647593 /nfs/dbraw/zinc/64/75/93/1104647593.db2.gz GUTUZAMHGNTQSS-YJBOKZPZSA-N 2 1 317.433 3.134 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650100 1104647599 /nfs/dbraw/zinc/64/75/99/1104647599.db2.gz GUTUZAMHGNTQSS-YJBOKZPZSA-N 2 1 317.433 3.134 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001254548690 1106101142 /nfs/dbraw/zinc/10/11/42/1106101142.db2.gz KOEKONDCBPWAID-CVEARBPZSA-N 2 1 319.449 3.367 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881463 1107175618 /nfs/dbraw/zinc/17/56/18/1107175618.db2.gz WJXJSWDHYMZTAP-RDTXWAMCSA-N 2 1 317.433 3.294 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000164685102 432050724 /nfs/dbraw/zinc/05/07/24/432050724.db2.gz GGMWYYQPKSYJBK-ZDUSSCGKSA-N 2 1 302.378 3.231 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595304901 400123583 /nfs/dbraw/zinc/12/35/83/400123583.db2.gz DLPRWUYDLYWSKV-UHFFFAOYSA-N 2 1 323.412 3.286 20 5 DGBDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094297 400315497 /nfs/dbraw/zinc/31/54/97/400315497.db2.gz JRYFJXFPWMMJBU-ZBFHGGJFSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094297 400315505 /nfs/dbraw/zinc/31/55/05/400315505.db2.gz JRYFJXFPWMMJBU-ZBFHGGJFSA-N 2 1 317.433 3.367 20 5 DGBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275680 400505814 /nfs/dbraw/zinc/50/58/14/400505814.db2.gz XCVSMHBQRRWCTQ-UAGQMJEPSA-N 2 1 317.433 3.038 20 5 DGBDMP C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593316294 400817259 /nfs/dbraw/zinc/81/72/59/400817259.db2.gz OROGWYVSHCXZBH-ZTHSPGPESA-N 2 1 303.406 3.057 20 5 DGBDMP C[N@H+]1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000598965846 400915435 /nfs/dbraw/zinc/91/54/35/400915435.db2.gz NVDFVVQEPBAWNO-MRXNPFEDSA-N 2 1 319.449 3.380 20 5 DGBDMP Cc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598997972 400924374 /nfs/dbraw/zinc/92/43/74/400924374.db2.gz AASLVAXIOYIQFY-INIZCTEOSA-N 2 1 303.406 3.010 20 5 DGBDMP CC(C)[N@H+]1CC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599032759 400933053 /nfs/dbraw/zinc/93/30/53/400933053.db2.gz WDARCWLGQNJXKG-ZDUSSCGKSA-N 2 1 314.389 3.285 20 5 DGBDMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000178703829 164845773 /nfs/dbraw/zinc/84/57/73/164845773.db2.gz JPSAJGNZIPQIGC-GUYCJALGSA-N 2 1 316.405 3.477 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000295853837 225312711 /nfs/dbraw/zinc/31/27/11/225312711.db2.gz FCCIRBOHCMJPCK-AVOUXACISA-N 2 1 303.406 3.179 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000295853837 225312712 /nfs/dbraw/zinc/31/27/12/225312712.db2.gz FCCIRBOHCMJPCK-AVOUXACISA-N 2 1 303.406 3.179 20 5 DGBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346642583 264071275 /nfs/dbraw/zinc/07/12/75/264071275.db2.gz MQQNPTJDMCYPIC-GXTWGEPZSA-N 2 1 315.373 3.024 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346827204 264104650 /nfs/dbraw/zinc/10/46/50/264104650.db2.gz HTRVSFTWZIJDKO-XIRDDKMYSA-N 2 1 317.433 3.277 20 5 DGBDMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122142107 277619006 /nfs/dbraw/zinc/61/90/06/277619006.db2.gz DEJIKSYGZLCJAN-OAHLLOKOSA-N 2 1 305.422 3.367 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261067 279382929 /nfs/dbraw/zinc/38/29/29/279382929.db2.gz IYEAQFZHPVOBJJ-CZUORRHYSA-N 2 1 305.422 3.023 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124361888 431891686 /nfs/dbraw/zinc/89/16/86/431891686.db2.gz LPVRNZOOMZMZJX-KGLIPLIRSA-N 2 1 303.406 3.038 20 5 DGBDMP Cc1nccn1CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000127414447 431971445 /nfs/dbraw/zinc/97/14/45/431971445.db2.gz QZOPCNSPNYIPEB-UHFFFAOYSA-N 2 1 314.389 3.154 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000127414447 431971450 /nfs/dbraw/zinc/97/14/50/431971450.db2.gz QZOPCNSPNYIPEB-UHFFFAOYSA-N 2 1 314.389 3.154 20 5 DGBDMP CC(C)[NH+]1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271046537 432320866 /nfs/dbraw/zinc/32/08/66/432320866.db2.gz REOVHMJYLIRRGC-SOFGYWHQSA-N 2 1 317.433 3.413 20 5 DGBDMP CC(C)[NH+]1CCC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271046537 432320871 /nfs/dbraw/zinc/32/08/71/432320871.db2.gz REOVHMJYLIRRGC-SOFGYWHQSA-N 2 1 317.433 3.413 20 5 DGBDMP CC(C)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192971382 432435624 /nfs/dbraw/zinc/43/56/24/432435624.db2.gz YMFWXACQYJPCFE-GOSISDBHSA-N 2 1 317.433 3.435 20 5 DGBDMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192971382 432435628 /nfs/dbraw/zinc/43/56/28/432435628.db2.gz YMFWXACQYJPCFE-GOSISDBHSA-N 2 1 317.433 3.435 20 5 DGBDMP C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701705 432526084 /nfs/dbraw/zinc/52/60/84/432526084.db2.gz GDNMASZEYPHWQA-GOEBONIOSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185701705 432526088 /nfs/dbraw/zinc/52/60/88/432526088.db2.gz GDNMASZEYPHWQA-GOEBONIOSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701705 432526091 /nfs/dbraw/zinc/52/60/91/432526091.db2.gz GDNMASZEYPHWQA-GOEBONIOSA-N 2 1 317.433 3.337 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156349689 432593767 /nfs/dbraw/zinc/59/37/67/432593767.db2.gz UVHPHWKHZIDYCH-DYVFJYSZSA-N 2 1 313.357 3.204 20 5 DGBDMP C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccncc2)C1 ZINC000156349689 432593773 /nfs/dbraw/zinc/59/37/73/432593773.db2.gz UVHPHWKHZIDYCH-DYVFJYSZSA-N 2 1 313.357 3.204 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000161073309 432757524 /nfs/dbraw/zinc/75/75/24/432757524.db2.gz LPNLLLOYIKHTRS-KKUMJFAQSA-N 2 1 305.422 3.427 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332037797 432966866 /nfs/dbraw/zinc/96/68/66/432966866.db2.gz XHIDZMGARXBPBR-PBFPGSCMSA-N 2 1 317.433 3.390 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332037797 432966867 /nfs/dbraw/zinc/96/68/67/432966867.db2.gz XHIDZMGARXBPBR-PBFPGSCMSA-N 2 1 317.433 3.390 20 5 DGBDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414187214 433449058 /nfs/dbraw/zinc/44/90/58/433449058.db2.gz PRELIFLWUBFSJZ-KBXCAEBGSA-N 2 1 317.433 3.294 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000373024952 293252097 /nfs/dbraw/zinc/25/20/97/293252097.db2.gz ONHSDCXUXKYANI-IIDMSEBBSA-N 2 1 315.417 3.189 20 5 DGBDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449092106 433724167 /nfs/dbraw/zinc/72/41/67/433724167.db2.gz LHRHKMZQOYWXDI-OWCLPIDISA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449092106 433724175 /nfs/dbraw/zinc/72/41/75/433724175.db2.gz LHRHKMZQOYWXDI-OWCLPIDISA-N 2 1 319.449 3.236 20 5 DGBDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414798526 433844354 /nfs/dbraw/zinc/84/43/54/433844354.db2.gz JKPPZUUPXZIOAO-CQSZACIVSA-N 2 1 317.414 3.150 20 5 DGBDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423298116 434351506 /nfs/dbraw/zinc/35/15/06/434351506.db2.gz NEWAPAGMFHICLP-JKSUJKDBSA-N 2 1 305.422 3.023 20 5 DGBDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750328 434394232 /nfs/dbraw/zinc/39/42/32/434394232.db2.gz HRJYMOLRGBTPNQ-GDBMZVCRSA-N 2 1 305.422 3.208 20 5 DGBDMP C[C@@H]1CC2(C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424378456 434713861 /nfs/dbraw/zinc/71/38/61/434713861.db2.gz NELBVDQFWQWUDS-ZDTYVGOBSA-N 2 1 315.417 3.072 20 5 DGBDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556923024 435038778 /nfs/dbraw/zinc/03/87/78/435038778.db2.gz HDQHTLNTFCYPIO-WBVHZDCISA-N 2 1 319.449 3.380 20 5 DGBDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556923024 435038782 /nfs/dbraw/zinc/03/87/82/435038782.db2.gz HDQHTLNTFCYPIO-WBVHZDCISA-N 2 1 319.449 3.380 20 5 DGBDMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482515324 435469634 /nfs/dbraw/zinc/46/96/34/435469634.db2.gz WPMLEERQFSNVQW-RHSMWYFYSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[NH+](C)C ZINC000491589295 435776676 /nfs/dbraw/zinc/77/66/76/435776676.db2.gz PRIHKFASLFZGSP-ZDUSSCGKSA-N 2 1 317.389 3.142 20 5 DGBDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000580744509 324033365 /nfs/dbraw/zinc/03/33/65/324033365.db2.gz WLUJVHHXOKRDGL-LSDHHAIUSA-N 2 1 307.438 3.234 20 5 DGBDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000580744509 324033367 /nfs/dbraw/zinc/03/33/67/324033367.db2.gz WLUJVHHXOKRDGL-LSDHHAIUSA-N 2 1 307.438 3.234 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430126942 527501251 /nfs/dbraw/zinc/50/12/51/527501251.db2.gz VWNDTKKSSNRLOH-BXBOZWQASA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430126942 527501256 /nfs/dbraw/zinc/50/12/56/527501256.db2.gz VWNDTKKSSNRLOH-BXBOZWQASA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430126942 527501257 /nfs/dbraw/zinc/50/12/57/527501257.db2.gz VWNDTKKSSNRLOH-BXBOZWQASA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430126942 527501264 /nfs/dbraw/zinc/50/12/64/527501264.db2.gz VWNDTKKSSNRLOH-BXBOZWQASA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430126943 527528856 /nfs/dbraw/zinc/52/88/56/527528856.db2.gz VWNDTKKSSNRLOH-KAPURRDVSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430126943 527528861 /nfs/dbraw/zinc/52/88/61/527528861.db2.gz VWNDTKKSSNRLOH-KAPURRDVSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430126943 527528867 /nfs/dbraw/zinc/52/88/67/527528867.db2.gz VWNDTKKSSNRLOH-KAPURRDVSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430126943 527528874 /nfs/dbraw/zinc/52/88/74/527528874.db2.gz VWNDTKKSSNRLOH-KAPURRDVSA-N 2 1 315.417 3.026 20 5 DGBDMP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000903106330 619717937 /nfs/dbraw/zinc/71/79/37/619717937.db2.gz HDWZWWUHRBRHCZ-QEJZJMRPSA-N 2 1 321.421 3.127 20 5 DGBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903727504 619804770 /nfs/dbraw/zinc/80/47/70/619804770.db2.gz TZWCINJQDUUAJX-MRXNPFEDSA-N 2 1 305.422 3.195 20 5 DGBDMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903815877 619814371 /nfs/dbraw/zinc/81/43/71/619814371.db2.gz TXCAZOMHRHYHLJ-KRWDZBQOSA-N 2 1 317.433 3.121 20 5 DGBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000904406948 619920136 /nfs/dbraw/zinc/92/01/36/619920136.db2.gz YCQOBVWMQXXBNY-CYBMUJFWSA-N 2 1 315.373 3.026 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872032661 622763963 /nfs/dbraw/zinc/76/39/63/622763963.db2.gz XONMARZHAWHQKJ-NEPJUHHUSA-N 2 1 320.368 3.226 20 5 DGBDMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818340690 628015638 /nfs/dbraw/zinc/01/56/38/628015638.db2.gz QNQQSOMGVDLEIA-LBPRGKRZSA-N 2 1 323.824 3.212 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125602 630616252 /nfs/dbraw/zinc/61/62/52/630616252.db2.gz YNTZGUWENLZJOP-OLZOCXBDSA-N 2 1 323.824 3.070 20 5 DGBDMP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689976 1191862750 /nfs/dbraw/zinc/86/27/50/1191862750.db2.gz GGWOYFXZUHSXQY-IAQYHMDHSA-N 2 1 311.813 3.245 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001474029734 1183854033 /nfs/dbraw/zinc/85/40/33/1183854033.db2.gz XXFPIEJSYZFDFO-GJZGRUSLSA-N 2 1 305.422 3.174 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576315826 1191559327 /nfs/dbraw/zinc/55/93/27/1191559327.db2.gz MWJCPQVUPAKYSK-CKEIUWERSA-N 2 1 303.406 3.107 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001657139766 1196110071 /nfs/dbraw/zinc/11/00/71/1196110071.db2.gz GGBRNMUANYQHKU-UHFFFAOYSA-N 2 1 319.449 3.423 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001182251084 1083657266 /nfs/dbraw/zinc/65/72/66/1083657266.db2.gz LVWBIYURTYRHCX-UHFFFAOYSA-N 2 1 316.748 3.186 20 5 DGBDMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001183065896 1083873696 /nfs/dbraw/zinc/87/36/96/1083873696.db2.gz RDVOLVZAVZIKIE-YJBOKZPZSA-N 2 1 319.449 3.190 20 5 DGBDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293147 1095509132 /nfs/dbraw/zinc/50/91/32/1095509132.db2.gz KMRXMAAHABXJKH-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC001116293147 1095509142 /nfs/dbraw/zinc/50/91/42/1095509142.db2.gz KMRXMAAHABXJKH-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC[N+](C)(C)C ZINC001224771288 1096282263 /nfs/dbraw/zinc/28/22/63/1096282263.db2.gz ILEDDAPFBUSQOZ-SFHVURJKSA-N 2 1 305.486 3.010 20 5 DGBDMP C[C@@H](C[N+](C)(C)C)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826914 1096295407 /nfs/dbraw/zinc/29/54/07/1096295407.db2.gz STRKTNGDXSPNHC-HKUYNNGSSA-N 2 1 305.486 3.010 20 5 DGBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219280 1097370669 /nfs/dbraw/zinc/37/06/69/1097370669.db2.gz AHNVCUXQTIGPSV-HOCLYGCPSA-N 2 1 319.449 3.378 20 5 DGBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219280 1097370673 /nfs/dbraw/zinc/37/06/73/1097370673.db2.gz AHNVCUXQTIGPSV-HOCLYGCPSA-N 2 1 319.449 3.378 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246635502 1104638026 /nfs/dbraw/zinc/63/80/26/1104638026.db2.gz ROJSLIWYZXNGMU-YJBOKZPZSA-N 2 1 317.433 3.134 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278206741 214023823 /nfs/dbraw/zinc/02/38/23/214023823.db2.gz HECQLWLWBAHMFW-QGZVFWFLSA-N 2 1 314.389 3.157 20 5 DGBDMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000121589211 284201441 /nfs/dbraw/zinc/20/14/41/284201441.db2.gz OCSVCWIXAOCZHP-LSDHHAIUSA-N 2 1 305.422 3.367 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352535699 285353672 /nfs/dbraw/zinc/35/36/72/285353672.db2.gz UMJMPIZQZMEMLU-OAHLLOKOSA-N 2 1 305.422 3.422 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000352535699 285353674 /nfs/dbraw/zinc/35/36/74/285353674.db2.gz UMJMPIZQZMEMLU-OAHLLOKOSA-N 2 1 305.422 3.422 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000468648020 533410013 /nfs/dbraw/zinc/41/00/13/533410013.db2.gz MWOPCPYEUYZAIG-PNUWANSTSA-N 2 1 315.417 3.215 20 5 DGBDMP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000595290988 400118483 /nfs/dbraw/zinc/11/84/83/400118483.db2.gz PDDLUOKXHUDVPM-UHFFFAOYSA-N 2 1 321.396 3.042 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000609133617 400142944 /nfs/dbraw/zinc/14/29/44/400142944.db2.gz MZOFQMSHZXAAOP-UHFFFAOYSA-N 2 1 305.422 3.147 20 5 DGBDMP CC1(C)C[C@H]([NH2+]CC2([NH3+])CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000596648654 400471976 /nfs/dbraw/zinc/47/19/76/400471976.db2.gz URAQMZMWCIVFEO-HNNXBMFYSA-N 2 1 303.406 3.178 20 5 DGBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602513697 400484445 /nfs/dbraw/zinc/48/44/45/400484445.db2.gz GTOSMMHIOLLQPH-INIZCTEOSA-N 2 1 319.449 3.382 20 5 DGBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602514073 400484839 /nfs/dbraw/zinc/48/48/39/400484839.db2.gz LDTQQTIOAYSTTO-INIZCTEOSA-N 2 1 319.449 3.239 20 5 DGBDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000603111409 400643505 /nfs/dbraw/zinc/64/35/05/400643505.db2.gz QQRQPMXBSXUMAG-UHFFFAOYSA-N 2 1 305.422 3.293 20 5 DGBDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433828 400648838 /nfs/dbraw/zinc/64/88/38/400648838.db2.gz ZADUROJDAPLGEH-IRXDYDNUSA-N 2 1 317.433 3.115 20 5 DGBDMP O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](CC3CC3)C2)ccc2cnccc21 ZINC000599043464 400936620 /nfs/dbraw/zinc/93/66/20/400936620.db2.gz RZCVRFNMEQDVBW-AWEZNQCLSA-N 2 1 312.373 3.039 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000598994791 400923521 /nfs/dbraw/zinc/92/35/21/400923521.db2.gz RZTYOCIFIQYHRP-XBNGYDHASA-N 2 1 317.433 3.320 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364448478 287027913 /nfs/dbraw/zinc/02/79/13/287027913.db2.gz QKWZQFOJOPZPDI-OIISXLGYSA-N 2 1 317.433 3.132 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000295853840 225313309 /nfs/dbraw/zinc/31/33/09/225313309.db2.gz FCCIRBOHCMJPCK-FFHGMXDLSA-N 2 1 303.406 3.179 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000295853840 225313311 /nfs/dbraw/zinc/31/33/11/225313311.db2.gz FCCIRBOHCMJPCK-FFHGMXDLSA-N 2 1 303.406 3.179 20 5 DGBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346678641 264078712 /nfs/dbraw/zinc/07/87/12/264078712.db2.gz MKOAXQBODSROGM-QWHCGFSZSA-N 2 1 315.373 3.024 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178701370 432768974 /nfs/dbraw/zinc/76/89/74/432768974.db2.gz LSPCPDLRUGYTAX-OCCSQVGLSA-N 2 1 316.405 3.395 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000245535327 432840387 /nfs/dbraw/zinc/84/03/87/432840387.db2.gz WMBOBBCCUBPZRN-DAYGRLMNSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000245535327 432840390 /nfs/dbraw/zinc/84/03/90/432840390.db2.gz WMBOBBCCUBPZRN-DAYGRLMNSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245535327 432840392 /nfs/dbraw/zinc/84/03/92/432840392.db2.gz WMBOBBCCUBPZRN-DAYGRLMNSA-N 2 1 317.433 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245535327 432840394 /nfs/dbraw/zinc/84/03/94/432840394.db2.gz WMBOBBCCUBPZRN-DAYGRLMNSA-N 2 1 317.433 3.380 20 5 DGBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000279214400 432946093 /nfs/dbraw/zinc/94/60/93/432946093.db2.gz YNSDUPQWDZYPLB-CXAGYDPISA-N 2 1 317.433 3.249 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000331987531 432964772 /nfs/dbraw/zinc/96/47/72/432964772.db2.gz MCJKZRLBYXVIHF-HSMVNMDESA-N 2 1 303.406 3.047 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000453396436 433152602 /nfs/dbraw/zinc/15/26/02/433152602.db2.gz ITPCNWSOELNPDA-CQSZACIVSA-N 2 1 305.422 3.428 20 5 DGBDMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000414176438 433439918 /nfs/dbraw/zinc/43/99/18/433439918.db2.gz IZZIEPYUFDCJHZ-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000414188361 433449595 /nfs/dbraw/zinc/44/95/95/433449595.db2.gz QPAAMTNWANWQAR-WMLDXEAASA-N 2 1 305.422 3.367 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000449064845 433720233 /nfs/dbraw/zinc/72/02/33/433720233.db2.gz RDVKBEZUJFTIJG-OAHLLOKOSA-N 2 1 319.449 3.380 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000449081464 433724872 /nfs/dbraw/zinc/72/48/72/433724872.db2.gz FMCNIHAOWQBLSI-PMPSAXMXSA-N 2 1 319.449 3.236 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000449081464 433724877 /nfs/dbraw/zinc/72/48/77/433724877.db2.gz FMCNIHAOWQBLSI-PMPSAXMXSA-N 2 1 319.449 3.236 20 5 DGBDMP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414799272 433843652 /nfs/dbraw/zinc/84/36/52/433843652.db2.gz GMDULABGBYGKOU-UHFFFAOYSA-N 2 1 305.403 3.150 20 5 DGBDMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414977708 433953430 /nfs/dbraw/zinc/95/34/30/433953430.db2.gz KQXOYWVOPGTHQK-LBPRGKRZSA-N 2 1 305.403 3.150 20 5 DGBDMP CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000285746837 434055458 /nfs/dbraw/zinc/05/54/58/434055458.db2.gz RJPQCWWEZSMPLA-UHFFFAOYSA-N 2 1 317.389 3.142 20 5 DGBDMP CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000285746837 434055471 /nfs/dbraw/zinc/05/54/71/434055471.db2.gz RJPQCWWEZSMPLA-UHFFFAOYSA-N 2 1 317.389 3.142 20 5 DGBDMP CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000285746837 434055481 /nfs/dbraw/zinc/05/54/81/434055481.db2.gz RJPQCWWEZSMPLA-UHFFFAOYSA-N 2 1 317.389 3.142 20 5 DGBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423327090 434367314 /nfs/dbraw/zinc/36/73/14/434367314.db2.gz CUWWETNUCUGSRV-DYVFJYSZSA-N 2 1 321.421 3.034 20 5 DGBDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303268 434350264 /nfs/dbraw/zinc/35/02/64/434350264.db2.gz ADBWWXUDJSEIGF-SFHVURJKSA-N 2 1 315.417 3.214 20 5 DGBDMP Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077921 434606213 /nfs/dbraw/zinc/60/62/13/434606213.db2.gz KNIZUFASJSAXRL-KRWDZBQOSA-N 2 1 317.433 3.067 20 5 DGBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244805 435069629 /nfs/dbraw/zinc/06/96/29/435069629.db2.gz LMKXCHDECLXHCG-JSGCOSHPSA-N 2 1 315.373 3.166 20 5 DGBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000578244805 435069632 /nfs/dbraw/zinc/06/96/32/435069632.db2.gz LMKXCHDECLXHCG-JSGCOSHPSA-N 2 1 315.373 3.166 20 5 DGBDMP CCC[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240064 435152407 /nfs/dbraw/zinc/15/24/07/435152407.db2.gz GNVDNJUIJYJBFP-WMLDXEAASA-N 2 1 305.422 3.367 20 5 DGBDMP CCC[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240064 435152413 /nfs/dbraw/zinc/15/24/13/435152413.db2.gz GNVDNJUIJYJBFP-WMLDXEAASA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000537972714 435478511 /nfs/dbraw/zinc/47/85/11/435478511.db2.gz YPWCRSZIWIWJPC-AWEZNQCLSA-N 2 1 305.422 3.427 20 5 DGBDMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000575934482 316077448 /nfs/dbraw/zinc/07/74/48/316077448.db2.gz OVSSFGCOVONJTP-MRXNPFEDSA-N 2 1 317.433 3.435 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432787620 527500470 /nfs/dbraw/zinc/50/04/70/527500470.db2.gz TWNPDJSLWYJONS-MLRPBERTSA-N 2 1 317.433 3.414 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432787620 527500473 /nfs/dbraw/zinc/50/04/73/527500473.db2.gz TWNPDJSLWYJONS-MLRPBERTSA-N 2 1 317.433 3.414 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432787622 527528532 /nfs/dbraw/zinc/52/85/32/527528532.db2.gz TWNPDJSLWYJONS-VMEIHUARSA-N 2 1 317.433 3.414 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432787622 527528537 /nfs/dbraw/zinc/52/85/37/527528537.db2.gz TWNPDJSLWYJONS-VMEIHUARSA-N 2 1 317.433 3.414 20 5 DGBDMP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078060 535021385 /nfs/dbraw/zinc/02/13/85/535021385.db2.gz UAYIHTJJZUOTTE-QAPCUYQASA-N 2 1 319.449 3.236 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468621819 535526347 /nfs/dbraw/zinc/52/63/47/535526347.db2.gz ZCCAKTPYIUHCFN-MJSCBBHESA-N 2 1 317.433 3.320 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892510086 618090020 /nfs/dbraw/zinc/09/00/20/618090020.db2.gz GMAKBSDKYZHRDK-NSHDSACASA-N 2 1 322.796 3.179 20 5 DGBDMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cccc1[N+](=O)[O-] ZINC000903157187 619726656 /nfs/dbraw/zinc/72/66/56/619726656.db2.gz ADYZUCGZXRARDH-ZXFUBFMLSA-N 2 1 315.417 3.151 20 5 DGBDMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cccc1[N+](=O)[O-] ZINC000903157187 619726658 /nfs/dbraw/zinc/72/66/58/619726658.db2.gz ADYZUCGZXRARDH-ZXFUBFMLSA-N 2 1 315.417 3.151 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000872073124 622790330 /nfs/dbraw/zinc/79/03/30/622790330.db2.gz NCKCXTVHZVXVMK-VXGBXAGGSA-N 2 1 311.451 3.165 20 5 DGBDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077667 622792670 /nfs/dbraw/zinc/79/26/70/622792670.db2.gz KVMRILWWSFYVCN-GFCCVEGCSA-N 2 1 309.385 3.259 20 5 DGBDMP C[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788739708 625255508 /nfs/dbraw/zinc/25/55/08/625255508.db2.gz NUEVGCVJZKUMRS-KBPBESRZSA-N 2 1 320.437 3.092 20 5 DGBDMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000796840407 626088568 /nfs/dbraw/zinc/08/85/68/626088568.db2.gz WWENWQIQBNJRRV-KBMXLJTQSA-N 2 1 323.824 3.211 20 5 DGBDMP C[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000796840407 626088571 /nfs/dbraw/zinc/08/85/71/626088571.db2.gz WWENWQIQBNJRRV-KBMXLJTQSA-N 2 1 323.824 3.211 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801515047 626406516 /nfs/dbraw/zinc/40/65/16/626406516.db2.gz ULODNPPATTXUGF-UHFFFAOYSA-N 2 1 323.412 3.286 20 5 DGBDMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000842471778 630538744 /nfs/dbraw/zinc/53/87/44/630538744.db2.gz ZGUSGDGOXFURBA-GFCCVEGCSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CC[NH3+] ZINC000844902655 630973354 /nfs/dbraw/zinc/97/33/54/630973354.db2.gz URDHPGHJYZCAIR-RISCZKNCSA-N 2 1 311.813 3.198 20 5 DGBDMP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1CC[NH3+] ZINC000844902655 630973358 /nfs/dbraw/zinc/97/33/58/630973358.db2.gz URDHPGHJYZCAIR-RISCZKNCSA-N 2 1 311.813 3.198 20 5 DGBDMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000042393121 658772965 /nfs/dbraw/zinc/77/29/65/658772965.db2.gz KJIDMQKPPYOTLL-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001620994756 1192778342 /nfs/dbraw/zinc/77/83/42/1192778342.db2.gz QHTQOGAITYHLTP-UHFFFAOYSA-N 2 1 307.438 3.279 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001620994756 1192778344 /nfs/dbraw/zinc/77/83/44/1192778344.db2.gz QHTQOGAITYHLTP-UHFFFAOYSA-N 2 1 307.438 3.279 20 5 DGBDMP Cc1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001335584992 1178933496 /nfs/dbraw/zinc/93/34/96/1178933496.db2.gz ZMKWKKKEASCJLL-BBWFWOEESA-N 2 1 317.433 3.065 20 5 DGBDMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001576380728 1191576521 /nfs/dbraw/zinc/57/65/21/1191576521.db2.gz XPNMAWPCGKBOHG-CVEARBPZSA-N 2 1 315.373 3.070 20 5 DGBDMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[N+](C)(C)C ZINC001224618437 1096247823 /nfs/dbraw/zinc/24/78/23/1096247823.db2.gz HHBWPKGYRYSBCU-HKUYNNGSSA-N 2 1 305.486 3.010 20 5 DGBDMP C[N+](C)(C)CCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001224621057 1096248909 /nfs/dbraw/zinc/24/89/09/1096248909.db2.gz JNQIJZZQABVNSN-XUVXKRRUSA-N 2 1 317.497 3.010 20 5 DGBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219282 1097370704 /nfs/dbraw/zinc/37/07/04/1097370704.db2.gz AHNVCUXQTIGPSV-ZBFHGGJFSA-N 2 1 319.449 3.378 20 5 DGBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173219282 1097370709 /nfs/dbraw/zinc/37/07/09/1097370709.db2.gz AHNVCUXQTIGPSV-ZBFHGGJFSA-N 2 1 319.449 3.378 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001173228675 1097375972 /nfs/dbraw/zinc/37/59/72/1097375972.db2.gz JMYPERSJPGVDEX-DOTOQJQBSA-N 2 1 319.449 3.367 20 5 DGBDMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231151 1097377711 /nfs/dbraw/zinc/37/77/11/1097377711.db2.gz JYFQOZIMIYYAOG-OAHLLOKOSA-N 2 1 307.438 3.190 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246635501 1104637931 /nfs/dbraw/zinc/63/79/31/1104637931.db2.gz ROJSLIWYZXNGMU-QAPCUYQASA-N 2 1 317.433 3.134 20 5 DGBDMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429237424 282206282 /nfs/dbraw/zinc/20/62/82/282206282.db2.gz PBAUDQKXZGMWQQ-UHFFFAOYSA-N 2 1 302.378 3.015 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000152513129 186080887 /nfs/dbraw/zinc/08/08/87/186080887.db2.gz AWXBNBHLLUTLKU-ZDUSSCGKSA-N 2 1 323.437 3.232 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277161871 213336526 /nfs/dbraw/zinc/33/65/26/213336526.db2.gz KFTCRDBLZFQTHG-GJZGRUSLSA-N 2 1 305.422 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277161871 213336528 /nfs/dbraw/zinc/33/65/28/213336528.db2.gz KFTCRDBLZFQTHG-GJZGRUSLSA-N 2 1 305.422 3.380 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000236821723 202027298 /nfs/dbraw/zinc/02/72/98/202027298.db2.gz XNBPJUBCXRMBBJ-CQSZACIVSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179397396 432056180 /nfs/dbraw/zinc/05/61/80/432056180.db2.gz HDMHFVCBTUOIJW-UHFFFAOYSA-N 2 1 302.378 3.012 20 5 DGBDMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179397396 432056181 /nfs/dbraw/zinc/05/61/81/432056181.db2.gz HDMHFVCBTUOIJW-UHFFFAOYSA-N 2 1 302.378 3.012 20 5 DGBDMP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078061 240007157 /nfs/dbraw/zinc/00/71/57/240007157.db2.gz UAYIHTJJZUOTTE-YJBOKZPZSA-N 2 1 319.449 3.236 20 5 DGBDMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329132 240134805 /nfs/dbraw/zinc/13/48/05/240134805.db2.gz MNQIRIVSXAITGF-GJZGRUSLSA-N 2 1 307.438 3.236 20 5 DGBDMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329132 240134812 /nfs/dbraw/zinc/13/48/12/240134812.db2.gz MNQIRIVSXAITGF-GJZGRUSLSA-N 2 1 307.438 3.236 20 5 DGBDMP CC[NH+]1CCC([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170899 244153570 /nfs/dbraw/zinc/15/35/70/244153570.db2.gz CBFBODVBWSJQIX-NTCAYCPXSA-N 2 1 317.433 3.414 20 5 DGBDMP CC[NH+]1CCC([N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170899 244153575 /nfs/dbraw/zinc/15/35/75/244153575.db2.gz CBFBODVBWSJQIX-NTCAYCPXSA-N 2 1 317.433 3.414 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120710153 195221601 /nfs/dbraw/zinc/22/16/01/195221601.db2.gz BPPZXLIVMOGZTH-CQSZACIVSA-N 2 1 305.422 3.428 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468650668 533384884 /nfs/dbraw/zinc/38/48/84/533384884.db2.gz VFKCSVCJGLXUJR-ZMTKHRCCSA-N 2 1 303.406 3.070 20 5 DGBDMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600679704 400127823 /nfs/dbraw/zinc/12/78/23/400127823.db2.gz NRBZWLTVZDZTOH-TXCZRRACSA-N 2 1 317.433 3.036 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901632 400291122 /nfs/dbraw/zinc/29/11/22/400291122.db2.gz ZHNLDBQFDHOCOB-GDBMZVCRSA-N 2 1 317.433 3.367 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000610799553 400308200 /nfs/dbraw/zinc/30/82/00/400308200.db2.gz SNOBLQNFTQVUEV-RRFJBIMHSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000610799553 400308202 /nfs/dbraw/zinc/30/82/02/400308202.db2.gz SNOBLQNFTQVUEV-RRFJBIMHSA-N 2 1 303.406 3.181 20 5 DGBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)o2)cc1 ZINC000591278597 400505529 /nfs/dbraw/zinc/50/55/29/400505529.db2.gz WNCRUGXRBHNXAY-CQSZACIVSA-N 2 1 315.373 3.087 20 5 DGBDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000591582667 400542298 /nfs/dbraw/zinc/54/22/98/400542298.db2.gz SSEBEHDJMKUTEI-GDBMZVCRSA-N 2 1 303.406 3.310 20 5 DGBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000591658929 400549127 /nfs/dbraw/zinc/54/91/27/400549127.db2.gz NERUIIXHZAUGCS-GFCCVEGCSA-N 2 1 323.824 3.212 20 5 DGBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493981 400658174 /nfs/dbraw/zinc/65/81/74/400658174.db2.gz YFEQXCANLCHRIM-BZUAXINKSA-N 2 1 317.433 3.367 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000598994788 400923042 /nfs/dbraw/zinc/92/30/42/400923042.db2.gz RZTYOCIFIQYHRP-IUYQLWOBSA-N 2 1 317.433 3.320 20 5 DGBDMP C[NH+]1CCC2(CCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000616007418 401195668 /nfs/dbraw/zinc/19/56/68/401195668.db2.gz PSZKCCHNNVAOLT-DAXSKMNVSA-N 2 1 315.417 3.168 20 5 DGBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000151117171 432222428 /nfs/dbraw/zinc/22/24/28/432222428.db2.gz CFJAEFSWEFTVPU-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000151117171 432222431 /nfs/dbraw/zinc/22/24/31/432222431.db2.gz CFJAEFSWEFTVPU-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346655328 264073822 /nfs/dbraw/zinc/07/38/22/264073822.db2.gz FZHZFZKHIAWYTO-CHWSQXEVSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000447546466 274393547 /nfs/dbraw/zinc/39/35/47/274393547.db2.gz WBZVJYBEEINEKY-HACGYAERSA-N 2 1 303.406 3.045 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000447546466 274393551 /nfs/dbraw/zinc/39/35/51/274393551.db2.gz WBZVJYBEEINEKY-HACGYAERSA-N 2 1 303.406 3.045 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332037795 274394353 /nfs/dbraw/zinc/39/43/53/274394353.db2.gz XHIDZMGARXBPBR-IGCXYCKISA-N 2 1 317.433 3.390 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332037795 274394356 /nfs/dbraw/zinc/39/43/56/274394356.db2.gz XHIDZMGARXBPBR-IGCXYCKISA-N 2 1 317.433 3.390 20 5 DGBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000192627087 275038030 /nfs/dbraw/zinc/03/80/30/275038030.db2.gz VTLRKMHEJGQLDT-GOSISDBHSA-N 2 1 315.417 3.189 20 5 DGBDMP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134940 276052980 /nfs/dbraw/zinc/05/29/80/276052980.db2.gz WNHBPHSGSVNJOW-HIFRSBDPSA-N 2 1 305.422 3.135 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415134940 276052981 /nfs/dbraw/zinc/05/29/81/276052981.db2.gz WNHBPHSGSVNJOW-HIFRSBDPSA-N 2 1 305.422 3.135 20 5 DGBDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279144466 277023590 /nfs/dbraw/zinc/02/35/90/277023590.db2.gz SEGIHZMHQZLDET-KRWDZBQOSA-N 2 1 315.417 3.169 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414831231 279275042 /nfs/dbraw/zinc/27/50/42/279275042.db2.gz CDFQTHRALLAIHD-PBHICJAKSA-N 2 1 319.449 3.413 20 5 DGBDMP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])c2cc([N+](=O)[O-])ccc21 ZINC000331992805 281359254 /nfs/dbraw/zinc/35/92/54/281359254.db2.gz MSJFXTVMNPPANQ-OAGGEKHMSA-N 2 1 303.406 3.177 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152426886 432332883 /nfs/dbraw/zinc/33/28/83/432332883.db2.gz SQRNRFVDWRUYIO-KGLIPLIRSA-N 2 1 303.406 3.038 20 5 DGBDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000261787454 432451507 /nfs/dbraw/zinc/45/15/07/432451507.db2.gz UOMLJDWWVATJCR-QGZVFWFLSA-N 2 1 315.373 3.026 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178705248 432768387 /nfs/dbraw/zinc/76/83/87/432768387.db2.gz MDAKYXKFRUGPBD-CHWSQXEVSA-N 2 1 302.378 3.087 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178701378 432768744 /nfs/dbraw/zinc/76/87/44/432768744.db2.gz LSPCPDLRUGYTAX-GXTWGEPZSA-N 2 1 316.405 3.395 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245471740 432836069 /nfs/dbraw/zinc/83/60/69/432836069.db2.gz YBVPNIZYXHTFAE-HUUCEWRRSA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245471740 432836071 /nfs/dbraw/zinc/83/60/71/432836071.db2.gz YBVPNIZYXHTFAE-HUUCEWRRSA-N 2 1 305.422 3.366 20 5 DGBDMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278952535 432920806 /nfs/dbraw/zinc/92/08/06/432920806.db2.gz LLYMVXMUWTYHBW-XJKSGUPXSA-N 2 1 314.389 3.095 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332037798 432966917 /nfs/dbraw/zinc/96/69/17/432966917.db2.gz XHIDZMGARXBPBR-XNJGSVPQSA-N 2 1 317.433 3.390 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332037798 432966919 /nfs/dbraw/zinc/96/69/19/432966919.db2.gz XHIDZMGARXBPBR-XNJGSVPQSA-N 2 1 317.433 3.390 20 5 DGBDMP C[N@@H+](CCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000453592932 433224392 /nfs/dbraw/zinc/22/43/92/433224392.db2.gz FYBMQCUNVPESBT-VURMDHGXSA-N 2 1 303.406 3.072 20 5 DGBDMP C[NH+]1CCC2(CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000375507679 433482842 /nfs/dbraw/zinc/48/28/42/433482842.db2.gz PSZKCCHNNVAOLT-QPJJXVBHSA-N 2 1 315.417 3.168 20 5 DGBDMP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000414807440 433849675 /nfs/dbraw/zinc/84/96/75/433849675.db2.gz QZVNWTXYOHTWIX-HNNXBMFYSA-N 2 1 317.414 3.150 20 5 DGBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423272555 434328180 /nfs/dbraw/zinc/32/81/80/434328180.db2.gz ZDSCLTWEQJVAER-LRDDRELGSA-N 2 1 305.422 3.280 20 5 DGBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423296306 434349933 /nfs/dbraw/zinc/34/99/33/434349933.db2.gz GOJIDNSICPAVLL-DJIMGWMZSA-N 2 1 319.449 3.413 20 5 DGBDMP CC[NH+]1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302822 434351179 /nfs/dbraw/zinc/35/11/79/434351179.db2.gz BWBSMLPYMGIGRQ-SFHVURJKSA-N 2 1 317.433 3.436 20 5 DGBDMP C[NH+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000360011349 434475886 /nfs/dbraw/zinc/47/58/86/434475886.db2.gz VGMJCWPMDIIXDX-UHFFFAOYSA-N 2 1 311.813 3.022 20 5 DGBDMP Cc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000296059265 434495712 /nfs/dbraw/zinc/49/57/12/434495712.db2.gz VSPJKDPFXPJMBN-OHRKKDJYSA-N 2 1 303.406 3.179 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000296059265 434495724 /nfs/dbraw/zinc/49/57/24/434495724.db2.gz VSPJKDPFXPJMBN-OHRKKDJYSA-N 2 1 303.406 3.179 20 5 DGBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777182 434715465 /nfs/dbraw/zinc/71/54/65/434715465.db2.gz KGDGDXQBKDZCOM-CVEARBPZSA-N 2 1 319.449 3.237 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459785456 434719500 /nfs/dbraw/zinc/71/95/00/434719500.db2.gz OORKCHZTHVMGHE-UVQBRAAOSA-N 2 1 317.433 3.320 20 5 DGBDMP CC(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486989 434902574 /nfs/dbraw/zinc/90/25/74/434902574.db2.gz DIIXBUDLWRORBA-RHSMWYFYSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486989 434902583 /nfs/dbraw/zinc/90/25/83/434902583.db2.gz DIIXBUDLWRORBA-RHSMWYFYSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486989 434902587 /nfs/dbraw/zinc/90/25/87/434902587.db2.gz DIIXBUDLWRORBA-RHSMWYFYSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486989 434902589 /nfs/dbraw/zinc/90/25/89/434902589.db2.gz DIIXBUDLWRORBA-RHSMWYFYSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000573486989 434902593 /nfs/dbraw/zinc/90/25/93/434902593.db2.gz DIIXBUDLWRORBA-RHSMWYFYSA-N 2 1 319.449 3.490 20 5 DGBDMP CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000554883317 434949869 /nfs/dbraw/zinc/94/98/69/434949869.db2.gz BPIQNICYMKKIRB-YFHOEESVSA-N 2 1 305.422 3.272 20 5 DGBDMP CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH+](C)C ZINC000554883317 434949875 /nfs/dbraw/zinc/94/98/75/434949875.db2.gz BPIQNICYMKKIRB-YFHOEESVSA-N 2 1 305.422 3.272 20 5 DGBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536867825 435416732 /nfs/dbraw/zinc/41/67/32/435416732.db2.gz FJIOSDRFIUNMBH-IIDMSEBBSA-N 2 1 319.449 3.236 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536859051 313788368 /nfs/dbraw/zinc/78/83/68/313788368.db2.gz QFYGKOHPNHMOQN-JSGCOSHPSA-N 2 1 316.405 3.395 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000576742576 316162104 /nfs/dbraw/zinc/16/21/04/316162104.db2.gz VKUCKXQHLJBEFH-BAPRJRNISA-N 2 1 317.433 3.318 20 5 DGBDMP CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435389973 527870830 /nfs/dbraw/zinc/87/08/30/527870830.db2.gz NRBZIAXWYXSQLY-IOBAAEILSA-N 2 1 303.406 3.072 20 5 DGBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468627735 534947670 /nfs/dbraw/zinc/94/76/70/534947670.db2.gz ODYUWUDGEZMBSS-OBHPCNEJSA-N 2 1 317.433 3.320 20 5 DGBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000419694698 546803887 /nfs/dbraw/zinc/80/38/87/546803887.db2.gz QNOCMRPWCUOUBW-CABCVRRESA-N 2 1 323.824 3.007 20 5 DGBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894858419 618480155 /nfs/dbraw/zinc/48/01/55/618480155.db2.gz FSJJHQLOVHLHBD-GFCCVEGCSA-N 2 1 311.813 3.070 20 5 DGBDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000903244875 619743566 /nfs/dbraw/zinc/74/35/66/619743566.db2.gz FWBAFUCHHCXDFS-XBVQOTNRSA-N 2 1 317.433 3.161 20 5 DGBDMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000903814146 619814531 /nfs/dbraw/zinc/81/45/31/619814531.db2.gz KOUQUQGRAAFUSM-INIZCTEOSA-N 2 1 303.406 3.078 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000904412693 619920849 /nfs/dbraw/zinc/92/08/49/619920849.db2.gz WJQFCIPTVWPDNW-UKRRQHHQSA-N 2 1 305.422 3.135 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000904412694 619921118 /nfs/dbraw/zinc/92/11/18/619921118.db2.gz WJQFCIPTVWPDNW-ZFWWWQNUSA-N 2 1 305.422 3.135 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704659 622158168 /nfs/dbraw/zinc/15/81/68/622158168.db2.gz PYJRNJONWACTPX-GUYCJALGSA-N 2 1 305.422 3.353 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000872036664 622766756 /nfs/dbraw/zinc/76/67/56/622766756.db2.gz UTSJMGJMNWRAOP-OLZOCXBDSA-N 2 1 323.462 3.309 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000872036664 622766758 /nfs/dbraw/zinc/76/67/58/622766758.db2.gz UTSJMGJMNWRAOP-OLZOCXBDSA-N 2 1 323.462 3.309 20 5 DGBDMP CCCC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873028398 623020329 /nfs/dbraw/zinc/02/03/29/623020329.db2.gz LQEBJFGGRKRTHR-UHFFFAOYSA-N 2 1 305.422 3.257 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000873029749 623021382 /nfs/dbraw/zinc/02/13/82/623021382.db2.gz PUYDYAJAVVGCNG-HNNXBMFYSA-N 2 1 305.422 3.032 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000873029749 623021385 /nfs/dbraw/zinc/02/13/85/623021385.db2.gz PUYDYAJAVVGCNG-HNNXBMFYSA-N 2 1 305.422 3.032 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873043761 623024775 /nfs/dbraw/zinc/02/47/75/623024775.db2.gz SITOYAIDSZHCEG-GFCCVEGCSA-N 2 1 316.405 3.142 20 5 DGBDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000873222886 623080352 /nfs/dbraw/zinc/08/03/52/623080352.db2.gz DIKZVVOTCHZZNJ-IWHGQQBYSA-N 2 1 317.433 3.305 20 5 DGBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000799177774 626277846 /nfs/dbraw/zinc/27/78/46/626277846.db2.gz DLUZSQXEJUATGZ-UHFFFAOYSA-N 2 1 321.396 3.042 20 5 DGBDMP C[N@@H+](CCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000835062846 629841436 /nfs/dbraw/zinc/84/14/36/629841436.db2.gz SHQCDUWZLJHVNY-UHFFFAOYSA-N 2 1 311.813 3.212 20 5 DGBDMP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102419364 630104496 /nfs/dbraw/zinc/10/44/96/630104496.db2.gz CCRAVAOPKNUWHJ-UHFFFAOYSA-N 2 1 319.430 3.365 20 5 DGBDMP Cc1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001335584997 1178933612 /nfs/dbraw/zinc/93/36/12/1178933612.db2.gz ZMKWKKKEASCJLL-YESZJQIVSA-N 2 1 317.433 3.065 20 5 DGBDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001657008458 1196092314 /nfs/dbraw/zinc/09/23/14/1196092314.db2.gz XBQAEIMHKMAKOO-UHFFFAOYSA-N 2 1 302.378 3.013 20 5 DGBDMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205117340 1091106466 /nfs/dbraw/zinc/10/64/66/1091106466.db2.gz OHJPMPBQGBNNCB-MRXNPFEDSA-N 2 1 306.413 3.096 20 5 DGBDMP CC(C)(C)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169000246 1092480949 /nfs/dbraw/zinc/48/09/49/1092480949.db2.gz XEWAADUMOSTXRU-YHUYYLMFSA-N 2 1 311.470 3.050 20 5 DGBDMP C[N+](C)(C)CCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224622957 1096249183 /nfs/dbraw/zinc/24/91/83/1096249183.db2.gz JGLCJNCKJJFKQL-ACDBMABISA-N 2 1 317.497 3.295 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329499956 1104285089 /nfs/dbraw/zinc/28/50/89/1104285089.db2.gz XHWYJLJDCRJUMT-OAHLLOKOSA-N 2 1 317.433 3.430 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246604617 1104620336 /nfs/dbraw/zinc/62/03/36/1104620336.db2.gz HEMIFNNKUBMUFM-YJBOKZPZSA-N 2 1 317.433 3.134 20 5 DGBDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094261 1105886978 /nfs/dbraw/zinc/88/69/78/1105886978.db2.gz BANZXHJUWLMEJH-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094261 1105886986 /nfs/dbraw/zinc/88/69/86/1105886986.db2.gz BANZXHJUWLMEJH-HUUCEWRRSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547481 1106100361 /nfs/dbraw/zinc/10/03/61/1106100361.db2.gz ISKBUGNCWMXLMI-ZBFHGGJFSA-N 2 1 319.449 3.378 20 5 DGBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254547481 1106100365 /nfs/dbraw/zinc/10/03/65/1106100365.db2.gz ISKBUGNCWMXLMI-ZBFHGGJFSA-N 2 1 319.449 3.378 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277161867 213336884 /nfs/dbraw/zinc/33/68/84/213336884.db2.gz KFTCRDBLZFQTHG-CABCVRRESA-N 2 1 305.422 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277161867 213336888 /nfs/dbraw/zinc/33/68/88/213336888.db2.gz KFTCRDBLZFQTHG-CABCVRRESA-N 2 1 305.422 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277161877 213336521 /nfs/dbraw/zinc/33/65/21/213336521.db2.gz KFTCRDBLZFQTHG-LSDHHAIUSA-N 2 1 305.422 3.380 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277161877 213336523 /nfs/dbraw/zinc/33/65/23/213336523.db2.gz KFTCRDBLZFQTHG-LSDHHAIUSA-N 2 1 305.422 3.380 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173441719 198215497 /nfs/dbraw/zinc/21/54/97/198215497.db2.gz MCKYLXCTKOWZSU-ZDUSSCGKSA-N 2 1 302.378 3.231 20 5 DGBDMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329133 240134407 /nfs/dbraw/zinc/13/44/07/240134407.db2.gz MNQIRIVSXAITGF-HUUCEWRRSA-N 2 1 307.438 3.236 20 5 DGBDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329133 240134413 /nfs/dbraw/zinc/13/44/13/240134413.db2.gz MNQIRIVSXAITGF-HUUCEWRRSA-N 2 1 307.438 3.236 20 5 DGBDMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000121211725 284191336 /nfs/dbraw/zinc/19/13/36/284191336.db2.gz IUWMMRAFSUEMDI-YOEHRIQHSA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000061003167 184159807 /nfs/dbraw/zinc/15/98/07/184159807.db2.gz AVIFEXSITODBRU-UHFFFAOYSA-N 2 1 305.422 3.302 20 5 DGBDMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000600679705 400128338 /nfs/dbraw/zinc/12/83/38/400128338.db2.gz NRBZWLTVZDZTOH-YQFWSFKMSA-N 2 1 317.433 3.036 20 5 DGBDMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601155840 400250854 /nfs/dbraw/zinc/25/08/54/400250854.db2.gz MXXCWUYOZIJZRV-ZDUSSCGKSA-N 2 1 314.389 3.064 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000610799552 400307864 /nfs/dbraw/zinc/30/78/64/400307864.db2.gz SNOBLQNFTQVUEV-KKUMJFAQSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000610799552 400307869 /nfs/dbraw/zinc/30/78/69/400307869.db2.gz SNOBLQNFTQVUEV-KKUMJFAQSA-N 2 1 303.406 3.181 20 5 DGBDMP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000591578084 400541871 /nfs/dbraw/zinc/54/18/71/400541871.db2.gz WFNLAOZMSGZCBK-JAECXMTMSA-N 2 1 315.417 3.190 20 5 DGBDMP Cc1ccc([C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069292 400949174 /nfs/dbraw/zinc/94/91/74/400949174.db2.gz FBUASXQCMCUMCV-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599069292 400949179 /nfs/dbraw/zinc/94/91/79/400949179.db2.gz FBUASXQCMCUMCV-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733978 400900404 /nfs/dbraw/zinc/90/04/04/400900404.db2.gz PULSOORDLKZPOF-ZQIUZPCESA-N 2 1 303.406 3.025 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420305409 292296992 /nfs/dbraw/zinc/29/69/92/292296992.db2.gz KDOVYMVVEDRNHP-PYTWLRIVSA-N 2 1 303.406 3.023 20 5 DGBDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347060170 264149861 /nfs/dbraw/zinc/14/98/61/264149861.db2.gz XOBMCCMMDVEWNW-ZDUSSCGKSA-N 2 1 315.373 3.026 20 5 DGBDMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000347140046 264163899 /nfs/dbraw/zinc/16/38/99/264163899.db2.gz VYYBXBCSMFYITF-SWLSCSKDSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000347140046 264163900 /nfs/dbraw/zinc/16/39/00/264163900.db2.gz VYYBXBCSMFYITF-SWLSCSKDSA-N 2 1 315.373 3.024 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124362356 431891500 /nfs/dbraw/zinc/89/15/00/431891500.db2.gz LPVRNZOOMZMZJX-ZIAGYGMSSA-N 2 1 303.406 3.038 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000249060406 432336053 /nfs/dbraw/zinc/33/60/53/432336053.db2.gz ZVVNQBWJLWCNMK-KDOFPFPSSA-N 2 1 317.433 3.294 20 5 DGBDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000261787450 432451224 /nfs/dbraw/zinc/45/12/24/432451224.db2.gz UOMLJDWWVATJCR-KRWDZBQOSA-N 2 1 315.373 3.026 20 5 DGBDMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192838313 432421088 /nfs/dbraw/zinc/42/10/88/432421088.db2.gz NZKLHJHNNYKJJO-KRWDZBQOSA-N 2 1 303.406 3.262 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000161057126 432756491 /nfs/dbraw/zinc/75/64/91/432756491.db2.gz BWBPSHVECWOKHP-BPUTZDHNSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000161072864 432758095 /nfs/dbraw/zinc/75/80/95/432758095.db2.gz LPNLLLOYIKHTRS-KFWWJZLASA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161072483 432758360 /nfs/dbraw/zinc/75/83/60/432758360.db2.gz ALEVFIGBPFXJTG-ZNMIVQPWSA-N 2 1 305.422 3.427 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000161607507 432788794 /nfs/dbraw/zinc/78/87/94/432788794.db2.gz OIBVFKBCACNMSQ-CWRNSKLLSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000161607507 432788798 /nfs/dbraw/zinc/78/87/98/432788798.db2.gz OIBVFKBCACNMSQ-CWRNSKLLSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000279044419 432929103 /nfs/dbraw/zinc/92/91/03/432929103.db2.gz XMKBFPHTOUGERP-KGLIPLIRSA-N 2 1 314.389 3.013 20 5 DGBDMP CC[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097976 432934258 /nfs/dbraw/zinc/93/42/58/432934258.db2.gz OBOMYTSQEJUKJH-QGZVFWFLSA-N 2 1 317.433 3.391 20 5 DGBDMP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097976 432934262 /nfs/dbraw/zinc/93/42/62/432934262.db2.gz OBOMYTSQEJUKJH-QGZVFWFLSA-N 2 1 317.433 3.391 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414780931 433830895 /nfs/dbraw/zinc/83/08/95/433830895.db2.gz MDZLNHUMWXGATH-STQMWFEESA-N 2 1 323.824 3.070 20 5 DGBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433171830 433841376 /nfs/dbraw/zinc/84/13/76/433841376.db2.gz BKHFCMUGBRWTMP-MRXNPFEDSA-N 2 1 314.389 3.112 20 5 DGBDMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000414880519 433901824 /nfs/dbraw/zinc/90/18/24/433901824.db2.gz QWKWJPDFTYRAPM-UHFFFAOYSA-N 2 1 317.414 3.294 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000414948676 433932120 /nfs/dbraw/zinc/93/21/20/433932120.db2.gz MNRJMJYCEYDLOA-OCCSQVGLSA-N 2 1 315.373 3.085 20 5 DGBDMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414859829 433887724 /nfs/dbraw/zinc/88/77/24/433887724.db2.gz NXPZXNGOMUEJHG-UHFFFAOYSA-N 2 1 323.780 3.207 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000414960950 433939652 /nfs/dbraw/zinc/93/96/52/433939652.db2.gz AYGLCPKPGOFWIR-INIZCTEOSA-N 2 1 305.422 3.196 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363791581 434148146 /nfs/dbraw/zinc/14/81/46/434148146.db2.gz JWIRHWMUKMFAEY-RRFJBIMHSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363791581 434148152 /nfs/dbraw/zinc/14/81/52/434148152.db2.gz JWIRHWMUKMFAEY-RRFJBIMHSA-N 2 1 303.406 3.181 20 5 DGBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331966 434358663 /nfs/dbraw/zinc/35/86/63/434358663.db2.gz WSFYCZAKVHKGCX-KDOFPFPSSA-N 2 1 317.433 3.294 20 5 DGBDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750330 434399289 /nfs/dbraw/zinc/39/92/89/434399289.db2.gz HRJYMOLRGBTPNQ-GOEBONIOSA-N 2 1 305.422 3.208 20 5 DGBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000554444808 434927967 /nfs/dbraw/zinc/92/79/67/434927967.db2.gz FXHGXEOEGOZMRX-UHFFFAOYSA-N 2 1 323.412 3.286 20 5 DGBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000554444808 434927969 /nfs/dbraw/zinc/92/79/69/434927969.db2.gz FXHGXEOEGOZMRX-UHFFFAOYSA-N 2 1 323.412 3.286 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000560897083 435195341 /nfs/dbraw/zinc/19/53/41/435195341.db2.gz SWCZJZNRAOGQLU-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP C[N@H+](CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000517742254 435610452 /nfs/dbraw/zinc/61/04/52/435610452.db2.gz PJSFVZICYNUDPQ-UHFFFAOYSA-N 2 1 323.780 3.289 20 5 DGBDMP C[N@@H+](CCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000517742254 435610454 /nfs/dbraw/zinc/61/04/54/435610454.db2.gz PJSFVZICYNUDPQ-UHFFFAOYSA-N 2 1 323.780 3.289 20 5 DGBDMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464180 315969373 /nfs/dbraw/zinc/96/93/73/315969373.db2.gz AIXFXOMXPPUSLV-KRWDZBQOSA-N 2 1 317.433 3.292 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000575992501 316083783 /nfs/dbraw/zinc/08/37/83/316083783.db2.gz TXSHCXNQVLHEOR-AVOUXACISA-N 2 1 303.406 3.179 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000575992501 316083785 /nfs/dbraw/zinc/08/37/85/316083785.db2.gz TXSHCXNQVLHEOR-AVOUXACISA-N 2 1 303.406 3.179 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430126945 527528147 /nfs/dbraw/zinc/52/81/47/527528147.db2.gz VWNDTKKSSNRLOH-SPQRHKFCSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430126945 527528150 /nfs/dbraw/zinc/52/81/50/527528150.db2.gz VWNDTKKSSNRLOH-SPQRHKFCSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430126945 527528153 /nfs/dbraw/zinc/52/81/53/527528153.db2.gz VWNDTKKSSNRLOH-SPQRHKFCSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430126945 527528157 /nfs/dbraw/zinc/52/81/57/527528157.db2.gz VWNDTKKSSNRLOH-SPQRHKFCSA-N 2 1 315.417 3.026 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432787621 527528599 /nfs/dbraw/zinc/52/85/99/527528599.db2.gz TWNPDJSLWYJONS-OKACTXMXSA-N 2 1 317.433 3.414 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432787621 527528607 /nfs/dbraw/zinc/52/86/07/527528607.db2.gz TWNPDJSLWYJONS-OKACTXMXSA-N 2 1 317.433 3.414 20 5 DGBDMP C[N@@H+](CCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000894806761 618463401 /nfs/dbraw/zinc/46/34/01/618463401.db2.gz KQNKMQDZLFTEQJ-UHFFFAOYSA-N 2 1 311.813 3.212 20 5 DGBDMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000903815922 619814276 /nfs/dbraw/zinc/81/42/76/619814276.db2.gz VOAQGWAHLYZZOK-INIZCTEOSA-N 2 1 303.406 3.078 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959899 619840122 /nfs/dbraw/zinc/84/01/22/619840122.db2.gz RMTUDJUTMNKJCV-FZMUQLTDSA-N 2 1 315.417 3.074 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959899 619840125 /nfs/dbraw/zinc/84/01/25/619840125.db2.gz RMTUDJUTMNKJCV-FZMUQLTDSA-N 2 1 315.417 3.074 20 5 DGBDMP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313176 619912296 /nfs/dbraw/zinc/91/22/96/619912296.db2.gz SDTOFBYHQLVKJK-KRWDZBQOSA-N 2 1 305.422 3.195 20 5 DGBDMP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000904412691 619921199 /nfs/dbraw/zinc/92/11/99/619921199.db2.gz WJQFCIPTVWPDNW-DZGCQCFKSA-N 2 1 305.422 3.135 20 5 DGBDMP C[N@H+]1CCCC[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862481875 621593553 /nfs/dbraw/zinc/59/35/53/621593553.db2.gz AKPOJOHYFTYLHG-ZDUSSCGKSA-N 2 1 311.813 3.070 20 5 DGBDMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862481875 621593556 /nfs/dbraw/zinc/59/35/56/621593556.db2.gz AKPOJOHYFTYLHG-ZDUSSCGKSA-N 2 1 311.813 3.070 20 5 DGBDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862481875 621593557 /nfs/dbraw/zinc/59/35/57/621593557.db2.gz AKPOJOHYFTYLHG-ZDUSSCGKSA-N 2 1 311.813 3.070 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000872036665 622766636 /nfs/dbraw/zinc/76/66/36/622766636.db2.gz UTSJMGJMNWRAOP-QWHCGFSZSA-N 2 1 323.462 3.309 20 5 DGBDMP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000872036665 622766639 /nfs/dbraw/zinc/76/66/39/622766639.db2.gz UTSJMGJMNWRAOP-QWHCGFSZSA-N 2 1 323.462 3.309 20 5 DGBDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873060918 623027979 /nfs/dbraw/zinc/02/79/79/623027979.db2.gz NBXXFXBDUFZGJW-UHFFFAOYSA-N 2 1 316.405 3.287 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000873141761 623047940 /nfs/dbraw/zinc/04/79/40/623047940.db2.gz KIPVTNVHHDVSHF-HNNXBMFYSA-N 2 1 305.422 3.033 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000873141761 623047943 /nfs/dbraw/zinc/04/79/43/623047943.db2.gz KIPVTNVHHDVSHF-HNNXBMFYSA-N 2 1 305.422 3.033 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000873141761 623047945 /nfs/dbraw/zinc/04/79/45/623047945.db2.gz KIPVTNVHHDVSHF-HNNXBMFYSA-N 2 1 305.422 3.033 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877739906 624012040 /nfs/dbraw/zinc/01/20/40/624012040.db2.gz ICUWQCJBQPBBGK-YHWWFLPASA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877739906 624012043 /nfs/dbraw/zinc/01/20/43/624012043.db2.gz ICUWQCJBQPBBGK-YHWWFLPASA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739906 624012045 /nfs/dbraw/zinc/01/20/45/624012045.db2.gz ICUWQCJBQPBBGK-YHWWFLPASA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739906 624012048 /nfs/dbraw/zinc/01/20/48/624012048.db2.gz ICUWQCJBQPBBGK-YHWWFLPASA-N 2 1 315.417 3.024 20 5 DGBDMP CC[N@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783607725 624374111 /nfs/dbraw/zinc/37/41/11/624374111.db2.gz UYCZNLVEUHAPGW-CYBMUJFWSA-N 2 1 311.813 3.070 20 5 DGBDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783607725 624374113 /nfs/dbraw/zinc/37/41/13/624374113.db2.gz UYCZNLVEUHAPGW-CYBMUJFWSA-N 2 1 311.813 3.070 20 5 DGBDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783607725 624374115 /nfs/dbraw/zinc/37/41/15/624374115.db2.gz UYCZNLVEUHAPGW-CYBMUJFWSA-N 2 1 311.813 3.070 20 5 DGBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000798957511 626262353 /nfs/dbraw/zinc/26/23/53/626262353.db2.gz YQNGNXKSYNNVPU-UHFFFAOYSA-N 2 1 321.396 3.042 20 5 DGBDMP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000841091052 630406779 /nfs/dbraw/zinc/40/67/79/630406779.db2.gz SPYRMCQQYJITBV-GFCCVEGCSA-N 2 1 309.797 3.013 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000105442937 630712085 /nfs/dbraw/zinc/71/20/85/630712085.db2.gz BMKZRUQPZRFJHT-NSHDSACASA-N 2 1 322.796 3.179 20 5 DGBDMP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689977 1191863062 /nfs/dbraw/zinc/86/30/62/1191863062.db2.gz GGWOYFXZUHSXQY-NHYWBVRUSA-N 2 1 311.813 3.245 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734925 1191989878 /nfs/dbraw/zinc/98/98/78/1191989878.db2.gz SZTLKAOYJZAUKM-YJBOKZPZSA-N 2 1 317.433 3.163 20 5 DGBDMP CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]2CCC[NH2+][C@H]21 ZINC001576389075 1191581590 /nfs/dbraw/zinc/58/15/90/1191581590.db2.gz FNISXLKIISNXND-NILFDRSVSA-N 2 1 323.824 3.114 20 5 DGBDMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596023 1196910263 /nfs/dbraw/zinc/91/02/63/1196910263.db2.gz VUEPURWVOCGLFI-RHSMWYFYSA-N 2 1 319.449 3.374 20 5 DGBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596023 1196910267 /nfs/dbraw/zinc/91/02/67/1196910267.db2.gz VUEPURWVOCGLFI-RHSMWYFYSA-N 2 1 319.449 3.374 20 5 DGBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC001663596023 1196910269 /nfs/dbraw/zinc/91/02/69/1196910269.db2.gz VUEPURWVOCGLFI-RHSMWYFYSA-N 2 1 319.449 3.374 20 5 DGBDMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CCCCC2)CC1 ZINC001168998323 1092479300 /nfs/dbraw/zinc/47/93/00/1092479300.db2.gz LHMKKGZDHUHXDP-AHCXZYCDSA-N 2 1 323.481 3.336 20 5 DGBDMP CC(C)(C)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169000243 1092481018 /nfs/dbraw/zinc/48/10/18/1092481018.db2.gz XEWAADUMOSTXRU-KLHDSHLOSA-N 2 1 311.470 3.050 20 5 DGBDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206633114 1092766628 /nfs/dbraw/zinc/76/66/28/1092766628.db2.gz TVVKBDNGOWTWKB-HNNXBMFYSA-N 2 1 320.440 3.344 20 5 DGBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCC[N+](C)(C)C ZINC001224624840 1096249076 /nfs/dbraw/zinc/24/90/76/1096249076.db2.gz ZUPVSTJBIOPALF-PKOBYXMFSA-N 2 1 305.486 3.010 20 5 DGBDMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215783 1097367481 /nfs/dbraw/zinc/36/74/81/1097367481.db2.gz ZRLBFWGDPICKKI-HNNXBMFYSA-N 2 1 307.438 3.237 20 5 DGBDMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215783 1097367483 /nfs/dbraw/zinc/36/74/83/1097367483.db2.gz ZRLBFWGDPICKKI-HNNXBMFYSA-N 2 1 307.438 3.237 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246604615 1104619961 /nfs/dbraw/zinc/61/99/61/1104619961.db2.gz HEMIFNNKUBMUFM-MAUKXSAKSA-N 2 1 317.433 3.134 20 5 DGBDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094260 1105887427 /nfs/dbraw/zinc/88/74/27/1105887427.db2.gz BANZXHJUWLMEJH-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001253094260 1105887433 /nfs/dbraw/zinc/88/74/33/1105887433.db2.gz BANZXHJUWLMEJH-GJZGRUSLSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001254547615 1106100343 /nfs/dbraw/zinc/10/03/43/1106100343.db2.gz JOHNESYAACAXMI-QSPRXWTASA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001254547615 1106100346 /nfs/dbraw/zinc/10/03/46/1106100346.db2.gz JOHNESYAACAXMI-QSPRXWTASA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([NH3+])(CC2CC2)CC1 ZINC001254545392 1106100404 /nfs/dbraw/zinc/10/04/04/1106100404.db2.gz NEVPMSAGRJOXAG-CQSZACIVSA-N 2 1 317.433 3.119 20 5 DGBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417309528 282209016 /nfs/dbraw/zinc/20/90/16/282209016.db2.gz FARQJADFWIJAJJ-QGZVFWFLSA-N 2 1 314.389 3.157 20 5 DGBDMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000180402556 199154263 /nfs/dbraw/zinc/15/42/63/199154263.db2.gz NPIXYSUXEKHWIF-AWEZNQCLSA-N 2 1 305.422 3.427 20 5 DGBDMP CC[N@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178628 244156896 /nfs/dbraw/zinc/15/68/96/244156896.db2.gz LQKFVYKUJFROMZ-IUYQLWOBSA-N 2 1 317.433 3.272 20 5 DGBDMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178628 244156900 /nfs/dbraw/zinc/15/69/00/244156900.db2.gz LQKFVYKUJFROMZ-IUYQLWOBSA-N 2 1 317.433 3.272 20 5 DGBDMP CC[NH+](C)C[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178628 244156909 /nfs/dbraw/zinc/15/69/09/244156909.db2.gz LQKFVYKUJFROMZ-IUYQLWOBSA-N 2 1 317.433 3.272 20 5 DGBDMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470178628 244156912 /nfs/dbraw/zinc/15/69/12/244156912.db2.gz LQKFVYKUJFROMZ-IUYQLWOBSA-N 2 1 317.433 3.272 20 5 DGBDMP C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000121589369 284201597 /nfs/dbraw/zinc/20/15/97/284201597.db2.gz OCSVCWIXAOCZHP-HUUCEWRRSA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000105442931 194105166 /nfs/dbraw/zinc/10/51/66/194105166.db2.gz FUPFAERPHOYICV-DYLGSBMWSA-N 2 1 314.389 3.039 20 5 DGBDMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000106465957 194219283 /nfs/dbraw/zinc/21/92/83/194219283.db2.gz PCHQSJXGARTWQC-UHFFFAOYSA-N 2 1 321.421 3.002 20 5 DGBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000468648019 533409830 /nfs/dbraw/zinc/40/98/30/533409830.db2.gz MWOPCPYEUYZAIG-KPJVXMDVSA-N 2 1 315.417 3.215 20 5 DGBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602513699 400484316 /nfs/dbraw/zinc/48/43/16/400484316.db2.gz GTOSMMHIOLLQPH-MRXNPFEDSA-N 2 1 319.449 3.382 20 5 DGBDMP Cc1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000592492866 400658277 /nfs/dbraw/zinc/65/82/77/400658277.db2.gz FCQGMTXYBLWDQK-NVXWUHKLSA-N 2 1 317.433 3.115 20 5 DGBDMP C[N@H+]1CCC[C@@H](CCNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599086474 400955526 /nfs/dbraw/zinc/95/55/26/400955526.db2.gz OCSZEDZUTHXLGU-ZDUSSCGKSA-N 2 1 314.389 3.287 20 5 DGBDMP CC[N@H+]1CCC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599033765 400933467 /nfs/dbraw/zinc/93/34/67/400933467.db2.gz CFWUQETYZIRGLF-ZDUSSCGKSA-N 2 1 314.389 3.287 20 5 DGBDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269013620 432151426 /nfs/dbraw/zinc/15/14/26/432151426.db2.gz OAULNNWAIYGRQN-ZDUSSCGKSA-N 2 1 303.406 3.262 20 5 DGBDMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131221982 196151325 /nfs/dbraw/zinc/15/13/25/196151325.db2.gz XLMTVUSQLPIVFL-AWEZNQCLSA-N 2 1 305.422 3.366 20 5 DGBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000151116903 432222519 /nfs/dbraw/zinc/22/25/19/432222519.db2.gz NORPLVBVRLWTDO-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000151116903 432222522 /nfs/dbraw/zinc/22/25/22/432222522.db2.gz NORPLVBVRLWTDO-LSDHHAIUSA-N 2 1 305.422 3.286 20 5 DGBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346665665 264076415 /nfs/dbraw/zinc/07/64/15/264076415.db2.gz DGDVSDZDPSOOOE-QWHCGFSZSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346678642 264078358 /nfs/dbraw/zinc/07/83/58/264078358.db2.gz MKOAXQBODSROGM-STQMWFEESA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1[NH3+] ZINC000347106885 264157676 /nfs/dbraw/zinc/15/76/76/264157676.db2.gz MCOLTRHKXYRZEM-LRDDRELGSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1[NH3+] ZINC000347106885 264157678 /nfs/dbraw/zinc/15/76/78/264157678.db2.gz MCOLTRHKXYRZEM-LRDDRELGSA-N 2 1 315.373 3.024 20 5 DGBDMP CC[NH+](CC)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352718231 265139270 /nfs/dbraw/zinc/13/92/70/265139270.db2.gz JMBILSYGDWFFNX-UHFFFAOYSA-N 2 1 323.412 3.288 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182917652 432240920 /nfs/dbraw/zinc/24/09/20/432240920.db2.gz JANNFISLUZRETF-CQSZACIVSA-N 2 1 316.405 3.491 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182917652 432240925 /nfs/dbraw/zinc/24/09/25/432240925.db2.gz JANNFISLUZRETF-CQSZACIVSA-N 2 1 316.405 3.491 20 5 DGBDMP CC1(C)C[C@@H]([NH2+]CCC[NH2+]C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423556772 273587454 /nfs/dbraw/zinc/58/74/54/273587454.db2.gz MQFAZCWUYXJWSC-MRXNPFEDSA-N 2 1 303.406 3.049 20 5 DGBDMP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166119 274208841 /nfs/dbraw/zinc/20/88/41/274208841.db2.gz WWNFJNXMXHBWHS-LRDDRELGSA-N 2 1 305.422 3.247 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178701390 432768925 /nfs/dbraw/zinc/76/89/25/432768925.db2.gz LSPCPDLRUGYTAX-JSGCOSHPSA-N 2 1 316.405 3.395 20 5 DGBDMP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1ccnc1 ZINC000276311542 432795291 /nfs/dbraw/zinc/79/52/91/432795291.db2.gz MLPKTBBKBISCTF-BLLLJJGKSA-N 2 1 318.352 3.014 20 5 DGBDMP C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1ccnc1 ZINC000276311542 432795294 /nfs/dbraw/zinc/79/52/94/432795294.db2.gz MLPKTBBKBISCTF-BLLLJJGKSA-N 2 1 318.352 3.014 20 5 DGBDMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453396455 433152896 /nfs/dbraw/zinc/15/28/96/433152896.db2.gz IWUQMOZWPLXOBW-SFHVURJKSA-N 2 1 317.433 3.436 20 5 DGBDMP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447515026 433209796 /nfs/dbraw/zinc/20/97/96/433209796.db2.gz JBKYOXVMTFYSKF-GOSISDBHSA-N 2 1 317.433 3.436 20 5 DGBDMP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000414798523 433843167 /nfs/dbraw/zinc/84/31/67/433843167.db2.gz JKPPZUUPXZIOAO-AWEZNQCLSA-N 2 1 317.414 3.150 20 5 DGBDMP CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285627219 434018920 /nfs/dbraw/zinc/01/89/20/434018920.db2.gz WVUOUHZZTSXSFP-YIONKMFJSA-N 2 1 323.824 3.305 20 5 DGBDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000414956167 293894089 /nfs/dbraw/zinc/89/40/89/293894089.db2.gz UZAHKCVTSRQRSD-JSGCOSHPSA-N 2 1 315.373 3.085 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363791580 434150042 /nfs/dbraw/zinc/15/00/42/434150042.db2.gz JWIRHWMUKMFAEY-KKUMJFAQSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363791580 434150055 /nfs/dbraw/zinc/15/00/55/434150055.db2.gz JWIRHWMUKMFAEY-KKUMJFAQSA-N 2 1 303.406 3.181 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349245971 434649918 /nfs/dbraw/zinc/64/99/18/434649918.db2.gz JDAZABBMOJCBNX-AWEZNQCLSA-N 2 1 323.437 3.374 20 5 DGBDMP CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349245971 434649925 /nfs/dbraw/zinc/64/99/25/434649925.db2.gz JDAZABBMOJCBNX-AWEZNQCLSA-N 2 1 323.437 3.374 20 5 DGBDMP C[N@@H+](CCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000567519794 435326787 /nfs/dbraw/zinc/32/67/87/435326787.db2.gz QRIFJYORGJPHQG-INIZCTEOSA-N 2 1 303.406 3.046 20 5 DGBDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000516024371 435511997 /nfs/dbraw/zinc/51/19/97/435511997.db2.gz SFQJFXJLDXFEMD-QIIPPGSGSA-N 2 1 317.433 3.435 20 5 DGBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000516024370 435512018 /nfs/dbraw/zinc/51/20/18/435512018.db2.gz SFQJFXJLDXFEMD-DDUZABMNSA-N 2 1 317.433 3.435 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818648 435569508 /nfs/dbraw/zinc/56/95/08/435569508.db2.gz CAVPKYIISJLVPQ-OJJSLQOQSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818648 435569511 /nfs/dbraw/zinc/56/95/11/435569511.db2.gz CAVPKYIISJLVPQ-OJJSLQOQSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000539818648 435569514 /nfs/dbraw/zinc/56/95/14/435569514.db2.gz CAVPKYIISJLVPQ-OJJSLQOQSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818649 435569992 /nfs/dbraw/zinc/56/99/92/435569992.db2.gz CAVPKYIISJLVPQ-OWWQLCIYSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818649 435569997 /nfs/dbraw/zinc/56/99/97/435569997.db2.gz CAVPKYIISJLVPQ-OWWQLCIYSA-N 2 1 317.433 3.413 20 5 DGBDMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000539818649 435570001 /nfs/dbraw/zinc/57/00/01/435570001.db2.gz CAVPKYIISJLVPQ-OWWQLCIYSA-N 2 1 317.433 3.413 20 5 DGBDMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000183952667 323352086 /nfs/dbraw/zinc/35/20/86/323352086.db2.gz TWUYJLOERRGPLQ-CQSZACIVSA-N 2 1 305.422 3.367 20 5 DGBDMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461114 619130166 /nfs/dbraw/zinc/13/01/66/619130166.db2.gz LKLAAONDUYWXBY-UONOGXRCSA-N 2 1 305.422 3.161 20 5 DGBDMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902414840 619638041 /nfs/dbraw/zinc/63/80/41/619638041.db2.gz DJXTYRJEAVHOKE-NSHDSACASA-N 2 1 317.414 3.465 20 5 DGBDMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000903814181 619814386 /nfs/dbraw/zinc/81/43/86/619814386.db2.gz LAEOLIMKJJAIEL-MRXNPFEDSA-N 2 1 303.406 3.078 20 5 DGBDMP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904313177 619912206 /nfs/dbraw/zinc/91/22/06/619912206.db2.gz SDTOFBYHQLVKJK-QGZVFWFLSA-N 2 1 305.422 3.195 20 5 DGBDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000768337784 622450610 /nfs/dbraw/zinc/45/06/10/622450610.db2.gz VRMUWFMBNRQSHO-UHFFFAOYSA-N 2 1 313.401 3.288 20 5 DGBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000768337784 622450611 /nfs/dbraw/zinc/45/06/11/622450611.db2.gz VRMUWFMBNRQSHO-UHFFFAOYSA-N 2 1 313.401 3.288 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000877478339 623902564 /nfs/dbraw/zinc/90/25/64/623902564.db2.gz MYDQMQPGIRTPQI-OAHLLOKOSA-N 2 1 305.422 3.128 20 5 DGBDMP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000877478339 623902567 /nfs/dbraw/zinc/90/25/67/623902567.db2.gz MYDQMQPGIRTPQI-OAHLLOKOSA-N 2 1 305.422 3.128 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877739905 624012709 /nfs/dbraw/zinc/01/27/09/624012709.db2.gz ICUWQCJBQPBBGK-MBMZNTITSA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877739905 624012714 /nfs/dbraw/zinc/01/27/14/624012714.db2.gz ICUWQCJBQPBBGK-MBMZNTITSA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739905 624012715 /nfs/dbraw/zinc/01/27/15/624012715.db2.gz ICUWQCJBQPBBGK-MBMZNTITSA-N 2 1 315.417 3.024 20 5 DGBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739905 624012717 /nfs/dbraw/zinc/01/27/17/624012717.db2.gz ICUWQCJBQPBBGK-MBMZNTITSA-N 2 1 315.417 3.024 20 5 DGBDMP CC(C)([NH3+])CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000925740321 627785126 /nfs/dbraw/zinc/78/51/26/627785126.db2.gz ITAWRYQGMHTMGL-KRWDZBQOSA-N 2 1 313.401 3.401 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817907891 627958746 /nfs/dbraw/zinc/95/87/46/627958746.db2.gz YNWXZGMCTGSALB-VNQPRFMTSA-N 2 1 323.824 3.259 20 5 DGBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125823 630616582 /nfs/dbraw/zinc/61/65/82/630616582.db2.gz JHOFBBMNXKYEDL-OLZOCXBDSA-N 2 1 323.824 3.070 20 5 DGBDMP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001576689978 1191862777 /nfs/dbraw/zinc/86/27/77/1191862777.db2.gz GGWOYFXZUHSXQY-XHDPSFHLSA-N 2 1 311.813 3.245 20 5 DGBDMP CCC(CC)[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169000827 1092481283 /nfs/dbraw/zinc/48/12/83/1092481283.db2.gz YTZXZNVCXWKSHP-NXNVCVFFSA-N 2 1 311.470 3.192 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001173221178 1097371989 /nfs/dbraw/zinc/37/19/89/1097371989.db2.gz LFUKPVNAKMIEMC-GOEBONIOSA-N 2 1 317.433 3.132 20 5 DGBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001173221178 1097371996 /nfs/dbraw/zinc/37/19/96/1097371996.db2.gz LFUKPVNAKMIEMC-GOEBONIOSA-N 2 1 317.433 3.132 20 5 DGBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001173228676 1097376381 /nfs/dbraw/zinc/37/63/81/1097376381.db2.gz JMYPERSJPGVDEX-NVXWUHKLSA-N 2 1 319.449 3.367 20 5 DGBDMP Cc1c(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001177294870 1098505682 /nfs/dbraw/zinc/50/56/82/1098505682.db2.gz QHFAIRKDJYALLH-GASCZTMLSA-N 2 1 319.449 3.361 20 5 DGBDMP Cc1c(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001177294870 1098505685 /nfs/dbraw/zinc/50/56/85/1098505685.db2.gz QHFAIRKDJYALLH-GASCZTMLSA-N 2 1 319.449 3.361 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001254539693 1106099014 /nfs/dbraw/zinc/09/90/14/1106099014.db2.gz JOHNESYAACAXMI-LLLHUVSDSA-N 2 1 317.433 3.131 20 5 DGBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001254539693 1106099020 /nfs/dbraw/zinc/09/90/20/1106099020.db2.gz JOHNESYAACAXMI-LLLHUVSDSA-N 2 1 317.433 3.131 20 5 DGBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001320881462 1107175080 /nfs/dbraw/zinc/17/50/80/1107175080.db2.gz WJXJSWDHYMZTAP-KSSFIOAISA-N 2 1 317.433 3.294 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173386051 198208796 /nfs/dbraw/zinc/20/87/96/198208796.db2.gz SPWXMMZRMVVXJW-STQMWFEESA-N 2 1 302.378 3.087 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173388771 198209240 /nfs/dbraw/zinc/20/92/40/198209240.db2.gz YBVPNIZYXHTFAE-GJZGRUSLSA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000173388771 198209242 /nfs/dbraw/zinc/20/92/42/198209242.db2.gz YBVPNIZYXHTFAE-GJZGRUSLSA-N 2 1 305.422 3.366 20 5 DGBDMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000193507141 201066517 /nfs/dbraw/zinc/06/65/17/201066517.db2.gz HAAIYCMPDPDLNL-GUYCJALGSA-N 2 1 303.406 3.120 20 5 DGBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000105442934 194105121 /nfs/dbraw/zinc/10/51/21/194105121.db2.gz FUPFAERPHOYICV-HZRUHFOJSA-N 2 1 314.389 3.039 20 5 DGBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000595052969 400091156 /nfs/dbraw/zinc/09/11/56/400091156.db2.gz UOYNQVWTRPXLSA-ZDUSSCGKSA-N 2 1 321.421 3.128 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000610799555 400307577 /nfs/dbraw/zinc/30/75/77/400307577.db2.gz SNOBLQNFTQVUEV-ZNMIVQPWSA-N 2 1 303.406 3.181 20 5 DGBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000610799555 400307581 /nfs/dbraw/zinc/30/75/81/400307581.db2.gz SNOBLQNFTQVUEV-ZNMIVQPWSA-N 2 1 303.406 3.181 20 5 DGBDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094295 400315882 /nfs/dbraw/zinc/31/58/82/400315882.db2.gz JRYFJXFPWMMJBU-GOEBONIOSA-N 2 1 317.433 3.367 20 5 DGBDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000596094295 400315883 /nfs/dbraw/zinc/31/58/83/400315883.db2.gz JRYFJXFPWMMJBU-GOEBONIOSA-N 2 1 317.433 3.367 20 5 DGBDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602575628 400501780 /nfs/dbraw/zinc/50/17/80/400501780.db2.gz TWFGCRRXQIXNCQ-QGZVFWFLSA-N 2 1 319.449 3.095 20 5 DGBDMP CC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427656 400648029 /nfs/dbraw/zinc/64/80/29/400648029.db2.gz NNCJEYKMITWTQM-GOEBONIOSA-N 2 1 305.422 3.277 20 5 DGBDMP CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592427656 400648032 /nfs/dbraw/zinc/64/80/32/400648032.db2.gz NNCJEYKMITWTQM-GOEBONIOSA-N 2 1 305.422 3.277 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000592494339 400658139 /nfs/dbraw/zinc/65/81/39/400658139.db2.gz QTHYQHVPNYTUOX-UHFFFAOYSA-N 2 1 317.433 3.339 20 5 DGBDMP CC(C)[N@H+]1CC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599032758 400933248 /nfs/dbraw/zinc/93/32/48/400933248.db2.gz WDARCWLGQNJXKG-CYBMUJFWSA-N 2 1 314.389 3.285 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000247147042 432205972 /nfs/dbraw/zinc/20/59/72/432205972.db2.gz SRMFLWRBHMRNAF-RHSMWYFYSA-N 2 1 305.422 3.367 20 5 DGBDMP Cc1cc(NCC[N@H+](C)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302181959 230147348 /nfs/dbraw/zinc/14/73/48/230147348.db2.gz OCTZBEQEIDKZSV-UHFFFAOYSA-N 2 1 302.378 3.204 20 5 DGBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346642586 264071035 /nfs/dbraw/zinc/07/10/35/264071035.db2.gz MQQNPTJDMCYPIC-TZMCWYRMSA-N 2 1 315.373 3.024 20 5 DGBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000346655334 264073477 /nfs/dbraw/zinc/07/34/77/264073477.db2.gz FZHZFZKHIAWYTO-STQMWFEESA-N 2 1 315.373 3.024 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125944181 431938642 /nfs/dbraw/zinc/93/86/42/431938642.db2.gz CICTXUUEQORAOA-GJZGRUSLSA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125944181 431938644 /nfs/dbraw/zinc/93/86/44/431938644.db2.gz CICTXUUEQORAOA-GJZGRUSLSA-N 2 1 305.422 3.366 20 5 DGBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125944181 431938646 /nfs/dbraw/zinc/93/86/46/431938646.db2.gz CICTXUUEQORAOA-GJZGRUSLSA-N 2 1 305.422 3.366 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271004695 432313987 /nfs/dbraw/zinc/31/39/87/432313987.db2.gz KXVIMJYSQOFDSQ-CYBMUJFWSA-N 2 1 302.378 3.183 20 5 DGBDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271004695 432313991 /nfs/dbraw/zinc/31/39/91/432313991.db2.gz KXVIMJYSQOFDSQ-CYBMUJFWSA-N 2 1 302.378 3.183 20 5 DGBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192720816 432405082 /nfs/dbraw/zinc/40/50/82/432405082.db2.gz ZVVNQBWJLWCNMK-RDTXWAMCSA-N 2 1 317.433 3.294 20 5 DGBDMP C[N@H+]1CCC[C@H]1CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396769 432496706 /nfs/dbraw/zinc/49/67/06/432496706.db2.gz MGAFNJJNGIROOX-HNNXBMFYSA-N 2 1 303.406 3.044 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680312 432924991 /nfs/dbraw/zinc/92/49/91/432924991.db2.gz YKDGLYRCUKRESL-ZFWWWQNUSA-N 2 1 305.422 3.291 20 5 DGBDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330680312 432924995 /nfs/dbraw/zinc/92/49/95/432924995.db2.gz YKDGLYRCUKRESL-ZFWWWQNUSA-N 2 1 305.422 3.291 20 5 DGBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000414780928 433829983 /nfs/dbraw/zinc/82/99/83/433829983.db2.gz MDZLNHUMWXGATH-CHWSQXEVSA-N 2 1 323.824 3.070 20 5 DGBDMP CC(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486991 434903142 /nfs/dbraw/zinc/90/31/42/434903142.db2.gz DIIXBUDLWRORBA-YOEHRIQHSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486991 434903148 /nfs/dbraw/zinc/90/31/48/434903148.db2.gz DIIXBUDLWRORBA-YOEHRIQHSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486991 434903149 /nfs/dbraw/zinc/90/31/49/434903149.db2.gz DIIXBUDLWRORBA-YOEHRIQHSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486991 434903152 /nfs/dbraw/zinc/90/31/52/434903152.db2.gz DIIXBUDLWRORBA-YOEHRIQHSA-N 2 1 319.449 3.490 20 5 DGBDMP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000573486991 434903154 /nfs/dbraw/zinc/90/31/54/434903154.db2.gz DIIXBUDLWRORBA-YOEHRIQHSA-N 2 1 319.449 3.490 20 5 DGBDMP Cc1c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000524156126 434970632 /nfs/dbraw/zinc/97/06/32/434970632.db2.gz LBEICSOHYBORQT-UHFFFAOYSA-N 2 1 319.449 3.455 20 5 DGBDMP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[NH+](C)C ZINC000491543670 435768284 /nfs/dbraw/zinc/76/82/84/435768284.db2.gz HACAFDZFTZQTCF-ZDUSSCGKSA-N 2 1 317.389 3.142 20 5 DGBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538310043 313856615 /nfs/dbraw/zinc/85/66/15/313856615.db2.gz FUPFAERPHOYICV-VSKVDJIOSA-N 2 1 314.389 3.039 20 5 DGBDMP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577412846 316234381 /nfs/dbraw/zinc/23/43/81/316234381.db2.gz RCIIIKFFIBUJOZ-QGZVFWFLSA-N 2 1 317.433 3.436 20 5 DGBDMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184473679 323366445 /nfs/dbraw/zinc/36/64/45/323366445.db2.gz HBLYSXHKSLZXTJ-AWEZNQCLSA-N 2 1 305.422 3.367 20 5 DGBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435395885 534691255 /nfs/dbraw/zinc/69/12/55/534691255.db2.gz VQTHSSXGVCXOHN-GFCCVEGCSA-N 2 1 317.414 3.104 20 5 DGBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903081620 619712622 /nfs/dbraw/zinc/71/26/22/619712622.db2.gz WAPLRXXOBDBDTO-IICXIOTHSA-N 2 1 315.417 3.403 20 5 DGBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903081620 619712623 /nfs/dbraw/zinc/71/26/23/619712623.db2.gz WAPLRXXOBDBDTO-IICXIOTHSA-N 2 1 315.417 3.403 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959900 619839890 /nfs/dbraw/zinc/83/98/90/619839890.db2.gz RMTUDJUTMNKJCV-LZCIBIBXSA-N 2 1 315.417 3.074 20 5 DGBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959900 619839891 /nfs/dbraw/zinc/83/98/91/619839891.db2.gz RMTUDJUTMNKJCV-LZCIBIBXSA-N 2 1 315.417 3.074 20 5 DGBDMP Cc1c(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000866702985 622158047 /nfs/dbraw/zinc/15/80/47/622158047.db2.gz FZVBEOLITDKDRE-KRWDZBQOSA-N 2 1 305.422 3.100 20 5 DGBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704660 622158091 /nfs/dbraw/zinc/15/80/91/622158091.db2.gz PYJRNJONWACTPX-SUMWQHHRSA-N 2 1 305.422 3.353 20 5 DGBDMP C[C@H]1CC2(C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl)CC[NH2+]CC2 ZINC000818340395 628015524 /nfs/dbraw/zinc/01/55/24/628015524.db2.gz LSXFUMLXCUXYKV-LBPRGKRZSA-N 2 1 323.824 3.212 20 5 DGBDMP CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC001576380731 1191576938 /nfs/dbraw/zinc/57/69/38/1191576938.db2.gz XPNMAWPCGKBOHG-JKSUJKDBSA-N 2 1 315.373 3.070 20 5 DGBDMP