smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338719796 870131153 /nfs/dbraw/zinc/13/11/53/870131153.db2.gz JXJJLLDNMIHZAG-KGLIPLIRSA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338719796 870131157 /nfs/dbraw/zinc/13/11/57/870131157.db2.gz JXJJLLDNMIHZAG-KGLIPLIRSA-N 2 2 323.393 1.408 20 5 DDBDLP COc1cc(N2CCC([NH2+][C@@H]3C[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256087526 897277674 /nfs/dbraw/zinc/27/76/74/897277674.db2.gz DPVFOBJWPXHDTD-CHWSQXEVSA-N 2 2 306.366 1.261 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577224 355329777 /nfs/dbraw/zinc/32/97/77/355329777.db2.gz CXTYFICCDQHZEN-HNNXBMFYSA-N 2 2 315.377 1.759 20 5 DDBDLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000591284731 355278704 /nfs/dbraw/zinc/27/87/04/355278704.db2.gz CMEHVFOSQNUROC-DGCLKSJQSA-N 2 2 321.377 1.783 20 5 DDBDLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000591284731 355278709 /nfs/dbraw/zinc/27/87/09/355278709.db2.gz CMEHVFOSQNUROC-DGCLKSJQSA-N 2 2 321.377 1.783 20 5 DDBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473840 355592962 /nfs/dbraw/zinc/59/29/62/355592962.db2.gz QKDLLDUOOQWQDM-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473840 355592965 /nfs/dbraw/zinc/59/29/65/355592965.db2.gz QKDLLDUOOQWQDM-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP Cc1c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000595864500 356682800 /nfs/dbraw/zinc/68/28/00/356682800.db2.gz BGIJJSGBNMBVMT-INIZCTEOSA-N 2 2 319.405 1.934 20 5 DDBDLP Cc1c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000595864500 356682802 /nfs/dbraw/zinc/68/28/02/356682802.db2.gz BGIJJSGBNMBVMT-INIZCTEOSA-N 2 2 319.405 1.934 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595911726 356702401 /nfs/dbraw/zinc/70/24/01/356702401.db2.gz WGNLMTPZUMZWBE-UHFFFAOYSA-N 2 2 318.377 1.655 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595911726 356702405 /nfs/dbraw/zinc/70/24/05/356702405.db2.gz WGNLMTPZUMZWBE-UHFFFAOYSA-N 2 2 318.377 1.655 20 5 DDBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567648395 304231965 /nfs/dbraw/zinc/23/19/65/304231965.db2.gz LEOQPGVDCADQEK-QWHCGFSZSA-N 2 2 309.366 1.330 20 5 DDBDLP O=[N+]([O-])c1cccnc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000298032251 285165675 /nfs/dbraw/zinc/16/56/75/285165675.db2.gz GDZGBUVJLAATNX-UHFFFAOYSA-N 2 2 302.338 1.009 20 5 DDBDLP C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000293632753 409150870 /nfs/dbraw/zinc/15/08/70/409150870.db2.gz HPTKDHJTWIFOBU-CHWSQXEVSA-N 2 2 322.409 1.796 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351848704 410284695 /nfs/dbraw/zinc/28/46/95/410284695.db2.gz DVMIFHOKVMUKBL-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351848704 410284702 /nfs/dbraw/zinc/28/47/02/410284702.db2.gz DVMIFHOKVMUKBL-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251984 410421355 /nfs/dbraw/zinc/42/13/55/410421355.db2.gz NDFMMNRJFANMOT-WBMJQRKESA-N 2 2 323.393 1.711 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251984 410421363 /nfs/dbraw/zinc/42/13/63/410421363.db2.gz NDFMMNRJFANMOT-WBMJQRKESA-N 2 2 323.393 1.711 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251983 410421439 /nfs/dbraw/zinc/42/14/39/410421439.db2.gz NDFMMNRJFANMOT-MLGOLLRUSA-N 2 2 323.393 1.711 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251983 410421445 /nfs/dbraw/zinc/42/14/45/410421445.db2.gz NDFMMNRJFANMOT-MLGOLLRUSA-N 2 2 323.393 1.711 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)C[NH3+] ZINC000430585381 420148367 /nfs/dbraw/zinc/14/83/67/420148367.db2.gz SDTNGWNUSZNWJE-NSHDSACASA-N 2 2 308.382 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430585381 420148370 /nfs/dbraw/zinc/14/83/70/420148370.db2.gz SDTNGWNUSZNWJE-NSHDSACASA-N 2 2 308.382 1.839 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430951924 420222475 /nfs/dbraw/zinc/22/24/75/420222475.db2.gz NNQGMSFCCYMVAO-GFCCVEGCSA-N 2 2 306.366 1.099 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430951924 420222478 /nfs/dbraw/zinc/22/24/78/420222478.db2.gz NNQGMSFCCYMVAO-GFCCVEGCSA-N 2 2 306.366 1.099 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757061 420707938 /nfs/dbraw/zinc/70/79/38/420707938.db2.gz GAHNKSDHRVTHBP-XUJVJEKNSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757061 420707940 /nfs/dbraw/zinc/70/79/40/420707940.db2.gz GAHNKSDHRVTHBP-XUJVJEKNSA-N 2 2 318.377 1.369 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442765262 420710766 /nfs/dbraw/zinc/71/07/66/420710766.db2.gz IVBCOTSUQSJOCM-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442765262 420710770 /nfs/dbraw/zinc/71/07/70/420710770.db2.gz IVBCOTSUQSJOCM-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000551574846 421534192 /nfs/dbraw/zinc/53/41/92/421534192.db2.gz SPRDKSHPPPKMED-ZDUSSCGKSA-N 2 2 320.349 1.211 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000430594364 277285612 /nfs/dbraw/zinc/28/56/12/277285612.db2.gz VLXOSYLGHMRKBL-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000430594364 277285614 /nfs/dbraw/zinc/28/56/14/277285614.db2.gz VLXOSYLGHMRKBL-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261962720 290250785 /nfs/dbraw/zinc/25/07/85/290250785.db2.gz OYWIQDUKAZAURI-GFCCVEGCSA-N 2 2 306.366 1.019 20 5 DDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261962720 290250788 /nfs/dbraw/zinc/25/07/88/290250788.db2.gz OYWIQDUKAZAURI-GFCCVEGCSA-N 2 2 306.366 1.019 20 5 DDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000923397102 714341071 /nfs/dbraw/zinc/34/10/71/714341071.db2.gz ADOXCCQIDKJXNK-UKRRQHHQSA-N 2 2 321.377 1.209 20 5 DDBDLP Cc1cc(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc(C)[nH+]1 ZINC001169027854 762184444 /nfs/dbraw/zinc/18/44/44/762184444.db2.gz RDYVFLNCCWAYPI-LSDHHAIUSA-N 2 2 319.409 1.661 20 5 DDBDLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001131376865 768101373 /nfs/dbraw/zinc/10/13/73/768101373.db2.gz ADQKLBXIKYTUAH-UHFFFAOYSA-N 2 2 323.378 1.067 20 5 DDBDLP C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001336739789 869118226 /nfs/dbraw/zinc/11/82/26/869118226.db2.gz QYDVVHICMAQXNM-SWLSCSKDSA-N 2 2 304.350 1.751 20 5 DDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985272 529801291 /nfs/dbraw/zinc/80/12/91/529801291.db2.gz TZOSZQQBOBTPFZ-HZPDHXFCSA-N 2 2 305.378 1.628 20 5 DDBDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985272 529801292 /nfs/dbraw/zinc/80/12/92/529801292.db2.gz TZOSZQQBOBTPFZ-HZPDHXFCSA-N 2 2 305.378 1.628 20 5 DDBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000591278411 355277087 /nfs/dbraw/zinc/27/70/87/355277087.db2.gz ZEJUKCQGVSCWFB-PWSUYJOCSA-N 2 2 307.350 1.596 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592488717 355597347 /nfs/dbraw/zinc/59/73/47/355597347.db2.gz MIUAYSLRHHNYAV-YWPYICTPSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592488717 355597351 /nfs/dbraw/zinc/59/73/51/355597351.db2.gz MIUAYSLRHHNYAV-YWPYICTPSA-N 2 2 320.393 1.981 20 5 DDBDLP CCO[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593314872 355852673 /nfs/dbraw/zinc/85/26/73/355852673.db2.gz GSPPKONZLPSXOP-WQELODFKSA-N 2 2 305.378 1.904 20 5 DDBDLP CCO[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593314872 355852676 /nfs/dbraw/zinc/85/26/76/355852676.db2.gz GSPPKONZLPSXOP-WQELODFKSA-N 2 2 305.378 1.904 20 5 DDBDLP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000594992129 356369400 /nfs/dbraw/zinc/36/94/00/356369400.db2.gz BEBDQUFPDIPWTD-CYBMUJFWSA-N 2 2 311.407 1.999 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](CCO)CC3)c2c1 ZINC000601100104 358401983 /nfs/dbraw/zinc/40/19/83/358401983.db2.gz LHDKXZOWBLYTFF-UHFFFAOYSA-N 2 2 302.334 1.257 20 5 DDBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000294810079 224236415 /nfs/dbraw/zinc/23/64/15/224236415.db2.gz JIDASZYSTQJYFD-UHFFFAOYSA-N 2 2 315.333 1.342 20 5 DDBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000179046305 407701841 /nfs/dbraw/zinc/70/18/41/407701841.db2.gz CROLTVJTRPGPEZ-LBPRGKRZSA-N 2 2 315.333 1.214 20 5 DDBDLP Cc1ccnc(NCC[NH+]2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000267195335 407784537 /nfs/dbraw/zinc/78/45/37/407784537.db2.gz NLUIFJZWEBBUHK-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000357643508 410157532 /nfs/dbraw/zinc/15/75/32/410157532.db2.gz DXIGETBYCBOGTD-UHFFFAOYSA-N 2 2 323.393 1.362 20 5 DDBDLP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000357643508 410157543 /nfs/dbraw/zinc/15/75/43/410157543.db2.gz DXIGETBYCBOGTD-UHFFFAOYSA-N 2 2 323.393 1.362 20 5 DDBDLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000298337045 410186669 /nfs/dbraw/zinc/18/66/69/410186669.db2.gz HBASAKZKQHPPMR-NSHDSACASA-N 2 2 317.349 1.460 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351860631 410297899 /nfs/dbraw/zinc/29/78/99/410297899.db2.gz GXRSMCQNTIQCFS-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351860631 410297902 /nfs/dbraw/zinc/29/79/02/410297902.db2.gz GXRSMCQNTIQCFS-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865890 410305535 /nfs/dbraw/zinc/30/55/35/410305535.db2.gz POAKUUGHSFGIQQ-QJPTWQEYSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865890 410305537 /nfs/dbraw/zinc/30/55/37/410305537.db2.gz POAKUUGHSFGIQQ-QJPTWQEYSA-N 2 2 306.366 1.591 20 5 DDBDLP COc1ccc(OCC[N@H+](C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359876345 410927620 /nfs/dbraw/zinc/92/76/20/410927620.db2.gz LHIUZTZSJVCCAD-CQSZACIVSA-N 2 2 309.366 1.651 20 5 DDBDLP COc1ccc(OCC[N@@H+](C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359876345 410927627 /nfs/dbraw/zinc/92/76/27/410927627.db2.gz LHIUZTZSJVCCAD-CQSZACIVSA-N 2 2 309.366 1.651 20 5 DDBDLP C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1cc[nH+]c1 ZINC000129820290 196078159 /nfs/dbraw/zinc/07/81/59/196078159.db2.gz DBNCRLPUSOSBBL-OLZOCXBDSA-N 2 2 304.354 1.571 20 5 DDBDLP C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1cc[nH+]c1 ZINC000129820290 196078160 /nfs/dbraw/zinc/07/81/60/196078160.db2.gz DBNCRLPUSOSBBL-OLZOCXBDSA-N 2 2 304.354 1.571 20 5 DDBDLP Cn1cc[nH+]c1[C@H](N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423196831 227397575 /nfs/dbraw/zinc/39/75/75/227397575.db2.gz WMJYGMKBVKOEIQ-DZGCQCFKSA-N 2 2 315.377 1.759 20 5 DDBDLP CC(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414961083 419896776 /nfs/dbraw/zinc/89/67/76/419896776.db2.gz IHJBWWSXLYMDSE-CQSZACIVSA-N 2 2 306.410 1.711 20 5 DDBDLP COCC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326011 420014052 /nfs/dbraw/zinc/01/40/52/420014052.db2.gz IWSCJUDQULLFTD-STQMWFEESA-N 2 2 311.386 1.101 20 5 DDBDLP C[C@@H](N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000423457883 420055396 /nfs/dbraw/zinc/05/53/96/420055396.db2.gz GHIXHQJDIRQJIG-MISXGVKJSA-N 2 2 303.366 1.743 20 5 DDBDLP O=C(CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420325399 420210511 /nfs/dbraw/zinc/21/05/11/420210511.db2.gz WBBKTDNYOTVGIH-CYBMUJFWSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420325399 420210513 /nfs/dbraw/zinc/21/05/13/420210513.db2.gz WBBKTDNYOTVGIH-CYBMUJFWSA-N 2 2 318.377 1.750 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430574694 420144289 /nfs/dbraw/zinc/14/42/89/420144289.db2.gz JEJJCOSEFMCUJN-HNNXBMFYSA-N 2 2 324.381 1.505 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430584931 420149372 /nfs/dbraw/zinc/14/93/72/420149372.db2.gz QIQBKOHAPUXGOK-OAHLLOKOSA-N 2 2 322.365 1.259 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000420341983 420222019 /nfs/dbraw/zinc/22/20/19/420222019.db2.gz PDCNVYMRJNIXRJ-RISCZKNCSA-N 2 2 304.350 1.217 20 5 DDBDLP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000420341983 420222030 /nfs/dbraw/zinc/22/20/30/420222030.db2.gz PDCNVYMRJNIXRJ-RISCZKNCSA-N 2 2 304.350 1.217 20 5 DDBDLP Cc1c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000578713992 422629327 /nfs/dbraw/zinc/62/93/27/422629327.db2.gz VDIOUHSDWYLTRB-UHFFFAOYSA-N 2 2 301.350 1.949 20 5 DDBDLP CCOc1ccc(NC(=O)C[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342117721 271302630 /nfs/dbraw/zinc/30/26/30/271302630.db2.gz ZILCRPQMKZNNEU-UHFFFAOYSA-N 2 2 322.365 1.403 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)cn1 ZINC000536561052 303363328 /nfs/dbraw/zinc/36/33/28/303363328.db2.gz MGCOGTRTBJZNSO-UHFFFAOYSA-N 2 2 302.338 1.009 20 5 DDBDLP CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577162366 308366830 /nfs/dbraw/zinc/36/68/30/308366830.db2.gz FPMFGXYKTLHLJP-ZDUSSCGKSA-N 2 2 321.381 1.264 20 5 DDBDLP CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577162366 308366831 /nfs/dbraw/zinc/36/68/31/308366831.db2.gz FPMFGXYKTLHLJP-ZDUSSCGKSA-N 2 2 321.381 1.264 20 5 DDBDLP CC(C)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000577513731 308394933 /nfs/dbraw/zinc/39/49/33/308394933.db2.gz WMPPATAOUVGNRH-CQSZACIVSA-N 2 2 306.410 1.793 20 5 DDBDLP CC(C)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000577513731 308394934 /nfs/dbraw/zinc/39/49/34/308394934.db2.gz WMPPATAOUVGNRH-CQSZACIVSA-N 2 2 306.410 1.793 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000841101305 702346839 /nfs/dbraw/zinc/34/68/39/702346839.db2.gz RXLALHYMNBWMHK-INIZCTEOSA-N 2 2 320.393 1.142 20 5 DDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398770 714342027 /nfs/dbraw/zinc/34/20/27/714342027.db2.gz LVSYQTIXVZGIER-SWLSCSKDSA-N 2 2 321.377 1.209 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC001168740380 748722190 /nfs/dbraw/zinc/72/21/90/748722190.db2.gz GODXVSGTDIBMRX-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037961 762192691 /nfs/dbraw/zinc/19/26/91/762192691.db2.gz UJBCTANKBAMCDZ-JKSUJKDBSA-N 3 2 314.474 1.637 20 5 DDBDLP C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC001262562556 900246433 /nfs/dbraw/zinc/24/64/33/900246433.db2.gz DZFCCXBRPPIPQB-DOMZBBRYSA-N 2 2 304.350 1.751 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591577339 355329869 /nfs/dbraw/zinc/32/98/69/355329869.db2.gz SQZVQHDLNJMRPN-OAHLLOKOSA-N 2 2 315.377 1.759 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428836 355580018 /nfs/dbraw/zinc/58/00/18/355580018.db2.gz ZJFIWVQHBZUGDD-MNOVXSKESA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428836 355580020 /nfs/dbraw/zinc/58/00/20/355580020.db2.gz ZJFIWVQHBZUGDD-MNOVXSKESA-N 2 2 307.350 1.535 20 5 DDBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595386175 356473956 /nfs/dbraw/zinc/47/39/56/356473956.db2.gz AQLURBXUDSSGRE-UHFFFAOYSA-N 2 2 319.340 1.790 20 5 DDBDLP CCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064900 356758590 /nfs/dbraw/zinc/75/85/90/356758590.db2.gz CFRIQBDCNDIZED-CYBMUJFWSA-N 2 2 320.393 1.997 20 5 DDBDLP CCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064900 356758593 /nfs/dbraw/zinc/75/85/93/356758593.db2.gz CFRIQBDCNDIZED-CYBMUJFWSA-N 2 2 320.393 1.997 20 5 DDBDLP C[NH2+]C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596654362 356942976 /nfs/dbraw/zinc/94/29/76/356942976.db2.gz JSRRNFNREMKFPZ-RISCZKNCSA-N 2 2 303.366 1.615 20 5 DDBDLP Cn1c[nH+]c(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602688623 359126322 /nfs/dbraw/zinc/12/63/22/359126322.db2.gz MKQRKRAIGMOXHQ-UHFFFAOYSA-N 2 2 301.306 1.802 20 5 DDBDLP C[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000261755306 203109752 /nfs/dbraw/zinc/10/97/52/203109752.db2.gz NVODKNCJZAWFDW-SNVBAGLBSA-N 2 2 303.322 1.118 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000261923743 407675928 /nfs/dbraw/zinc/67/59/28/407675928.db2.gz YYGVEEABTFVBHF-OAHLLOKOSA-N 2 2 317.349 1.816 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000261923743 407675934 /nfs/dbraw/zinc/67/59/34/407675934.db2.gz YYGVEEABTFVBHF-OAHLLOKOSA-N 2 2 317.349 1.816 20 5 DDBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000261955754 407688407 /nfs/dbraw/zinc/68/84/07/407688407.db2.gz XCODFOJRLIKNIN-RWMBFGLXSA-N 2 2 318.377 1.593 20 5 DDBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000261955754 407688412 /nfs/dbraw/zinc/68/84/12/407688412.db2.gz XCODFOJRLIKNIN-RWMBFGLXSA-N 2 2 318.377 1.593 20 5 DDBDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000293632756 409151453 /nfs/dbraw/zinc/15/14/53/409151453.db2.gz HPTKDHJTWIFOBU-STQMWFEESA-N 2 2 322.409 1.796 20 5 DDBDLP C[NH+](C[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289306647 409245992 /nfs/dbraw/zinc/24/59/92/409245992.db2.gz ATAPEEKYMCFMHU-HNNXBMFYSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](C[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289306647 409245995 /nfs/dbraw/zinc/24/59/95/409245995.db2.gz ATAPEEKYMCFMHU-HNNXBMFYSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[N@H+](C)C1CC1 ZINC000289306647 409245997 /nfs/dbraw/zinc/24/59/97/409245997.db2.gz ATAPEEKYMCFMHU-HNNXBMFYSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289306647 409245999 /nfs/dbraw/zinc/24/59/99/409245999.db2.gz ATAPEEKYMCFMHU-HNNXBMFYSA-N 2 2 307.394 1.524 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351865892 410304151 /nfs/dbraw/zinc/30/41/51/410304151.db2.gz POAKUUGHSFGIQQ-SRVKXCTJSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351865892 410304156 /nfs/dbraw/zinc/30/41/56/410304156.db2.gz POAKUUGHSFGIQQ-SRVKXCTJSA-N 2 2 306.366 1.591 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679905 410872449 /nfs/dbraw/zinc/87/24/49/410872449.db2.gz YESWMKLXPYYBOU-ZYHUDNBSSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679905 410872456 /nfs/dbraw/zinc/87/24/56/410872456.db2.gz YESWMKLXPYYBOU-ZYHUDNBSSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1O ZINC000368087328 418688497 /nfs/dbraw/zinc/68/84/97/418688497.db2.gz ARNXLSWGIZQWHH-JTQLQIEISA-N 2 2 318.333 1.679 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])cc1O ZINC000368087328 418688499 /nfs/dbraw/zinc/68/84/99/418688499.db2.gz ARNXLSWGIZQWHH-JTQLQIEISA-N 2 2 318.333 1.679 20 5 DDBDLP C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1n1cc[nH+]c1 ZINC000371324961 418780104 /nfs/dbraw/zinc/78/01/04/418780104.db2.gz BLOWXHVWFZAVOA-NWDGAFQWSA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1n1cc[nH+]c1 ZINC000371324961 418780106 /nfs/dbraw/zinc/78/01/06/418780106.db2.gz BLOWXHVWFZAVOA-NWDGAFQWSA-N 2 2 304.354 1.608 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423233878 419993202 /nfs/dbraw/zinc/99/32/02/419993202.db2.gz KQIWGKWEBSIXPO-ZFWWWQNUSA-N 2 2 315.377 1.759 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422733281 419965933 /nfs/dbraw/zinc/96/59/33/419965933.db2.gz AURLRQASOFLVHM-HOTGVXAUSA-N 2 2 305.378 1.494 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423317833 420011770 /nfs/dbraw/zinc/01/17/70/420011770.db2.gz KRJPNVPFUBXPNS-LSDHHAIUSA-N 2 2 315.377 1.745 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430578807 420145275 /nfs/dbraw/zinc/14/52/75/420145275.db2.gz FRQPCJCWWKIWLQ-CHWSQXEVSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430578807 420145279 /nfs/dbraw/zinc/14/52/79/420145279.db2.gz FRQPCJCWWKIWLQ-CHWSQXEVSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000531970541 303268315 /nfs/dbraw/zinc/26/83/15/303268315.db2.gz CRTUHCUNKJGXHM-UKRRQHHQSA-N 2 2 306.410 1.800 20 5 DDBDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000365404462 307066703 /nfs/dbraw/zinc/06/67/03/307066703.db2.gz PZIINUCMQYKYJT-CQSZACIVSA-N 2 2 320.393 1.610 20 5 DDBDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000365404462 307066704 /nfs/dbraw/zinc/06/67/04/307066704.db2.gz PZIINUCMQYKYJT-CQSZACIVSA-N 2 2 320.393 1.610 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369642508 307125638 /nfs/dbraw/zinc/12/56/38/307125638.db2.gz WRYPBWDTYKDIET-NSHDSACASA-N 2 2 304.354 1.219 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369642508 307125639 /nfs/dbraw/zinc/12/56/39/307125639.db2.gz WRYPBWDTYKDIET-NSHDSACASA-N 2 2 304.354 1.219 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000566974302 308067521 /nfs/dbraw/zinc/06/75/21/308067521.db2.gz QWDWDYHWCKOUHO-LLVKDONJSA-N 2 2 317.349 1.816 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000566974302 308067522 /nfs/dbraw/zinc/06/75/22/308067522.db2.gz QWDWDYHWCKOUHO-LLVKDONJSA-N 2 2 317.349 1.816 20 5 DDBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576035 701898235 /nfs/dbraw/zinc/89/82/35/701898235.db2.gz HKIVUIJNQFUYRK-UBHSHLNASA-N 2 2 320.393 1.691 20 5 DDBDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576035 701898242 /nfs/dbraw/zinc/89/82/42/701898242.db2.gz HKIVUIJNQFUYRK-UBHSHLNASA-N 2 2 320.393 1.691 20 5 DDBDLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931311822 714062708 /nfs/dbraw/zinc/06/27/08/714062708.db2.gz PPYRQDFKJMZAMU-YESZJQIVSA-N 2 2 319.405 1.902 20 5 DDBDLP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931311822 714062711 /nfs/dbraw/zinc/06/27/11/714062711.db2.gz PPYRQDFKJMZAMU-YESZJQIVSA-N 2 2 319.405 1.902 20 5 DDBDLP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931311822 714062712 /nfs/dbraw/zinc/06/27/12/714062712.db2.gz PPYRQDFKJMZAMU-YESZJQIVSA-N 2 2 319.405 1.902 20 5 DDBDLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931311822 714062714 /nfs/dbraw/zinc/06/27/14/714062714.db2.gz PPYRQDFKJMZAMU-YESZJQIVSA-N 2 2 319.405 1.902 20 5 DDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398766 714341862 /nfs/dbraw/zinc/34/18/62/714341862.db2.gz LVSYQTIXVZGIER-DOMZBBRYSA-N 2 2 321.377 1.209 20 5 DDBDLP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923413717 714348250 /nfs/dbraw/zinc/34/82/50/714348250.db2.gz HBUXRIBGUJSVGW-ZDUSSCGKSA-N 2 2 323.393 1.408 20 5 DDBDLP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923413717 714348253 /nfs/dbraw/zinc/34/82/53/714348253.db2.gz HBUXRIBGUJSVGW-ZDUSSCGKSA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N+](C)(C)Cc1ccccc1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001169132566 762249040 /nfs/dbraw/zinc/24/90/40/762249040.db2.gz RAYVYHJBXZBCLR-ZBFHGGJFSA-N 2 2 306.430 1.598 20 5 DDBDLP Cc1c(C)c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158262351 864526447 /nfs/dbraw/zinc/52/64/47/864526447.db2.gz RQLXMBJDKWZMAX-ZDUSSCGKSA-N 2 2 319.409 1.608 20 5 DDBDLP Cc1c(C)c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158262351 864526449 /nfs/dbraw/zinc/52/64/49/864526449.db2.gz RQLXMBJDKWZMAX-ZDUSSCGKSA-N 2 2 319.409 1.608 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428838 355580543 /nfs/dbraw/zinc/58/05/43/355580543.db2.gz ZJFIWVQHBZUGDD-QWRGUYRKSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428838 355580548 /nfs/dbraw/zinc/58/05/48/355580548.db2.gz ZJFIWVQHBZUGDD-QWRGUYRKSA-N 2 2 307.350 1.535 20 5 DDBDLP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596654391 356943074 /nfs/dbraw/zinc/94/30/74/356943074.db2.gz NTJSVVNVTKRTJU-ZDUSSCGKSA-N 2 2 317.349 1.790 20 5 DDBDLP CN1CC[N@H+](C)C[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601116399 358409037 /nfs/dbraw/zinc/40/90/37/358409037.db2.gz SXOJPSDBCXLYHD-CYBMUJFWSA-N 2 2 315.377 1.223 20 5 DDBDLP CN1CC[N@@H+](C)C[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601116399 358409041 /nfs/dbraw/zinc/40/90/41/358409041.db2.gz SXOJPSDBCXLYHD-CYBMUJFWSA-N 2 2 315.377 1.223 20 5 DDBDLP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269255036 207396603 /nfs/dbraw/zinc/39/66/03/207396603.db2.gz HJSDDXDKVMDSEX-LBPRGKRZSA-N 2 2 317.349 1.494 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351862001 410299727 /nfs/dbraw/zinc/29/97/27/410299727.db2.gz MZPVXINJKRBZMT-ZYHUDNBSSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351862001 410299734 /nfs/dbraw/zinc/29/97/34/410299734.db2.gz MZPVXINJKRBZMT-ZYHUDNBSSA-N 2 2 317.349 1.814 20 5 DDBDLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000417352072 225304568 /nfs/dbraw/zinc/30/45/68/225304568.db2.gz FFSXMLFJQMBOJF-CHWSQXEVSA-N 2 2 307.398 1.959 20 5 DDBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000429239968 419991542 /nfs/dbraw/zinc/99/15/42/419991542.db2.gz SAXZTVHPJUAWLN-UHFFFAOYSA-N 2 2 320.397 1.999 20 5 DDBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000429239968 419991545 /nfs/dbraw/zinc/99/15/45/419991545.db2.gz SAXZTVHPJUAWLN-UHFFFAOYSA-N 2 2 320.397 1.999 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430553498 420136310 /nfs/dbraw/zinc/13/63/10/420136310.db2.gz TWIYHPMRLNQDJJ-CHWSQXEVSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430553498 420136314 /nfs/dbraw/zinc/13/63/14/420136314.db2.gz TWIYHPMRLNQDJJ-CHWSQXEVSA-N 2 2 320.393 1.901 20 5 DDBDLP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420290193 420184881 /nfs/dbraw/zinc/18/48/81/420184881.db2.gz LMSPBEDFMLCXRQ-IUODEOHRSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420290193 420184885 /nfs/dbraw/zinc/18/48/85/420184885.db2.gz LMSPBEDFMLCXRQ-IUODEOHRSA-N 2 2 320.393 1.983 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917294 420204839 /nfs/dbraw/zinc/20/48/39/420204839.db2.gz JMJZLGDZPVYVJC-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917294 420204844 /nfs/dbraw/zinc/20/48/44/420204844.db2.gz JMJZLGDZPVYVJC-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP [NH3+]CCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420237398 420162231 /nfs/dbraw/zinc/16/22/31/420162231.db2.gz QLZJJQCLQOIKBW-UHFFFAOYSA-N 2 2 308.382 1.578 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420350515 420229443 /nfs/dbraw/zinc/22/94/43/420229443.db2.gz HEMGOSRVGXTMHS-JQWIXIFHSA-N 2 2 322.365 1.354 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420350515 420229445 /nfs/dbraw/zinc/22/94/45/420229445.db2.gz HEMGOSRVGXTMHS-JQWIXIFHSA-N 2 2 322.365 1.354 20 5 DDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228305 420251702 /nfs/dbraw/zinc/25/17/02/420251702.db2.gz OJZOZNGWYMZMKJ-DOTOQJQBSA-N 2 2 319.405 1.973 20 5 DDBDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228305 420251706 /nfs/dbraw/zinc/25/17/06/420251706.db2.gz OJZOZNGWYMZMKJ-DOTOQJQBSA-N 2 2 319.405 1.973 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767554 420712013 /nfs/dbraw/zinc/71/20/13/420712013.db2.gz RDEUJZQRJZFPCM-VXGBXAGGSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767554 420712016 /nfs/dbraw/zinc/71/20/16/420712016.db2.gz RDEUJZQRJZFPCM-VXGBXAGGSA-N 2 2 306.366 1.227 20 5 DDBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931276409 714054753 /nfs/dbraw/zinc/05/47/53/714054753.db2.gz HQRZIALUTXXACB-ZSHCYNCHSA-N 2 2 305.378 1.856 20 5 DDBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931276409 714054756 /nfs/dbraw/zinc/05/47/56/714054756.db2.gz HQRZIALUTXXACB-ZSHCYNCHSA-N 2 2 305.378 1.856 20 5 DDBDLP Cc1cc(Cl)c([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915480 864257915 /nfs/dbraw/zinc/25/79/15/864257915.db2.gz ZBSXVOPUVCCPLR-UHFFFAOYSA-N 2 2 312.761 1.546 20 5 DDBDLP C[NH+]1CCc2c(NC[C@H]3C[N@H+](C)CCO3)ccc([N+](=O)[O-])c2C1 ZINC001162690167 867737613 /nfs/dbraw/zinc/73/76/13/867737613.db2.gz TUQRCHNNYKBRFU-LBPRGKRZSA-N 2 2 320.393 1.325 20 5 DDBDLP C[NH+]1CCc2c(NC[C@H]3C[N@@H+](C)CCO3)ccc([N+](=O)[O-])c2C1 ZINC001162690167 867737617 /nfs/dbraw/zinc/73/76/17/867737617.db2.gz TUQRCHNNYKBRFU-LBPRGKRZSA-N 2 2 320.393 1.325 20 5 DDBDLP C[NH+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1 ZINC001162690167 867737622 /nfs/dbraw/zinc/73/76/22/867737622.db2.gz TUQRCHNNYKBRFU-LBPRGKRZSA-N 2 2 320.393 1.325 20 5 DDBDLP C[NH+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1 ZINC001162690167 867737624 /nfs/dbraw/zinc/73/76/24/867737624.db2.gz TUQRCHNNYKBRFU-LBPRGKRZSA-N 2 2 320.393 1.325 20 5 DDBDLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538211 896494162 /nfs/dbraw/zinc/49/41/62/896494162.db2.gz RKEKZAXINMJCHL-JSGCOSHPSA-N 2 2 323.393 1.786 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001254571593 896507400 /nfs/dbraw/zinc/50/74/00/896507400.db2.gz YMOAWXIWSRBPPY-AWEZNQCLSA-N 2 2 318.421 1.457 20 5 DDBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593910344 356054979 /nfs/dbraw/zinc/05/49/79/356054979.db2.gz UGBTZZNMRQBQKR-CYBMUJFWSA-N 2 2 308.382 1.225 20 5 DDBDLP O=[N+]([O-])c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000594992143 356369095 /nfs/dbraw/zinc/36/90/95/356369095.db2.gz BEBDQUFPDIPWTD-ZDUSSCGKSA-N 2 2 311.407 1.999 20 5 DDBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271651 360685982 /nfs/dbraw/zinc/68/59/82/360685982.db2.gz HRVSCQKLEYLQDE-LBPRGKRZSA-N 2 2 321.377 1.750 20 5 DDBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271651 360685985 /nfs/dbraw/zinc/68/59/85/360685985.db2.gz HRVSCQKLEYLQDE-LBPRGKRZSA-N 2 2 321.377 1.750 20 5 DDBDLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000579582593 422794904 /nfs/dbraw/zinc/79/49/04/422794904.db2.gz HFLNZLLSFZPNDX-GFCCVEGCSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000579582593 422794908 /nfs/dbraw/zinc/79/49/08/422794908.db2.gz HFLNZLLSFZPNDX-GFCCVEGCSA-N 2 2 318.377 1.750 20 5 DDBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847717 207015603 /nfs/dbraw/zinc/01/56/03/207015603.db2.gz BQBWEFGGCYOTGC-ZFWWWQNUSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847717 207015608 /nfs/dbraw/zinc/01/56/08/207015608.db2.gz BQBWEFGGCYOTGC-ZFWWWQNUSA-N 2 2 306.410 1.800 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000131842881 407756245 /nfs/dbraw/zinc/75/62/45/407756245.db2.gz FXLFYXUYRUZSKX-ZDUSSCGKSA-N 2 2 303.322 1.340 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000131842881 407756253 /nfs/dbraw/zinc/75/62/53/407756253.db2.gz FXLFYXUYRUZSKX-ZDUSSCGKSA-N 2 2 303.322 1.340 20 5 DDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262587173 407874140 /nfs/dbraw/zinc/87/41/40/407874140.db2.gz ZWRWMYPKOMWTMG-CZUORRHYSA-N 2 2 304.394 1.635 20 5 DDBDLP [NH3+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000238046056 407874277 /nfs/dbraw/zinc/87/42/77/407874277.db2.gz NXVXDJZMYRLPPM-LBPRGKRZSA-N 2 2 315.333 1.248 20 5 DDBDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073888 408974655 /nfs/dbraw/zinc/97/46/55/408974655.db2.gz DVEUVNAISZXJPD-INIZCTEOSA-N 2 2 318.377 1.221 20 5 DDBDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073888 408974657 /nfs/dbraw/zinc/97/46/57/408974657.db2.gz DVEUVNAISZXJPD-INIZCTEOSA-N 2 2 318.377 1.221 20 5 DDBDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073888 408974658 /nfs/dbraw/zinc/97/46/58/408974658.db2.gz DVEUVNAISZXJPD-INIZCTEOSA-N 2 2 318.377 1.221 20 5 DDBDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073888 408974661 /nfs/dbraw/zinc/97/46/61/408974661.db2.gz DVEUVNAISZXJPD-INIZCTEOSA-N 2 2 318.377 1.221 20 5 DDBDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607221 409147650 /nfs/dbraw/zinc/14/76/50/409147650.db2.gz GIUCNAASJYYCCI-YPMHNXCESA-N 2 2 308.382 1.284 20 5 DDBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673533 410866129 /nfs/dbraw/zinc/86/61/29/410866129.db2.gz HKGPOMFCILMVPH-UONOGXRCSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673533 410866137 /nfs/dbraw/zinc/86/61/37/410866137.db2.gz HKGPOMFCILMVPH-UONOGXRCSA-N 2 2 306.410 1.800 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414959009 419894534 /nfs/dbraw/zinc/89/45/34/419894534.db2.gz WWBABLRCQODEJJ-CMPLNLGQSA-N 2 2 309.366 1.842 20 5 DDBDLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000423653074 420114977 /nfs/dbraw/zinc/11/49/77/420114977.db2.gz YMPSBCRHFZMONJ-ZYHUDNBSSA-N 2 2 315.333 1.342 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430562119 420138251 /nfs/dbraw/zinc/13/82/51/420138251.db2.gz PRRYCTMQKXJJEP-LLVKDONJSA-N 2 2 308.382 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430562119 420138253 /nfs/dbraw/zinc/13/82/53/420138253.db2.gz PRRYCTMQKXJJEP-LLVKDONJSA-N 2 2 308.382 1.839 20 5 DDBDLP CC1(C)C[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580167 420086108 /nfs/dbraw/zinc/08/61/08/420086108.db2.gz XHTIRRHKOZJKPL-DOMZBBRYSA-N 2 2 305.378 1.895 20 5 DDBDLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420339803 420221152 /nfs/dbraw/zinc/22/11/52/420221152.db2.gz QPKUONDQZHVTBX-UHFFFAOYSA-N 2 2 310.354 1.083 20 5 DDBDLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420339803 420221157 /nfs/dbraw/zinc/22/11/57/420221157.db2.gz QPKUONDQZHVTBX-UHFFFAOYSA-N 2 2 310.354 1.083 20 5 DDBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420374385 420246379 /nfs/dbraw/zinc/24/63/79/420246379.db2.gz NRKCNUIFCLNWPG-INIZCTEOSA-N 2 2 318.377 1.269 20 5 DDBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420374385 420246384 /nfs/dbraw/zinc/24/63/84/420246384.db2.gz NRKCNUIFCLNWPG-INIZCTEOSA-N 2 2 318.377 1.269 20 5 DDBDLP C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420397031 420262012 /nfs/dbraw/zinc/26/20/12/420262012.db2.gz FXASONVOJHFQDO-OLZOCXBDSA-N 2 2 320.393 1.474 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420397031 420262015 /nfs/dbraw/zinc/26/20/15/420262015.db2.gz FXASONVOJHFQDO-OLZOCXBDSA-N 2 2 320.393 1.474 20 5 DDBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262567829 275035730 /nfs/dbraw/zinc/03/57/30/275035730.db2.gz XASWCGKFUPTERQ-AWEZNQCLSA-N 2 2 324.812 1.728 20 5 DDBDLP C[N@H+](C[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117003 308043705 /nfs/dbraw/zinc/04/37/05/308043705.db2.gz LJAOSOAPYKYLDO-CQSZACIVSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117003 308043707 /nfs/dbraw/zinc/04/37/07/308043707.db2.gz LJAOSOAPYKYLDO-CQSZACIVSA-N 2 2 309.366 1.018 20 5 DDBDLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000877831481 706226956 /nfs/dbraw/zinc/22/69/56/706226956.db2.gz UXWOMRDUAOLYJZ-WXYCVUISSA-N 2 2 323.393 1.061 20 5 DDBDLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000877831481 706226959 /nfs/dbraw/zinc/22/69/59/706226959.db2.gz UXWOMRDUAOLYJZ-WXYCVUISSA-N 2 2 323.393 1.061 20 5 DDBDLP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923413716 714348032 /nfs/dbraw/zinc/34/80/32/714348032.db2.gz HBUXRIBGUJSVGW-CYBMUJFWSA-N 2 2 323.393 1.408 20 5 DDBDLP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923413716 714348034 /nfs/dbraw/zinc/34/80/34/714348034.db2.gz HBUXRIBGUJSVGW-CYBMUJFWSA-N 2 2 323.393 1.408 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262850 864526280 /nfs/dbraw/zinc/52/62/80/864526280.db2.gz WOZGIVDEMVHCJC-CYBMUJFWSA-N 2 2 319.409 1.608 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262850 864526285 /nfs/dbraw/zinc/52/62/85/864526285.db2.gz WOZGIVDEMVHCJC-CYBMUJFWSA-N 2 2 319.409 1.608 20 5 DDBDLP C[NH+]1CCc2c(NC[C@@H]3C[N@H+](C)CCO3)ccc([N+](=O)[O-])c2C1 ZINC001162690166 867739271 /nfs/dbraw/zinc/73/92/71/867739271.db2.gz TUQRCHNNYKBRFU-GFCCVEGCSA-N 2 2 320.393 1.325 20 5 DDBDLP C[NH+]1CCc2c(NC[C@@H]3C[N@@H+](C)CCO3)ccc([N+](=O)[O-])c2C1 ZINC001162690166 867739277 /nfs/dbraw/zinc/73/92/77/867739277.db2.gz TUQRCHNNYKBRFU-GFCCVEGCSA-N 2 2 320.393 1.325 20 5 DDBDLP C[NH+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1 ZINC001162690166 867739286 /nfs/dbraw/zinc/73/92/86/867739286.db2.gz TUQRCHNNYKBRFU-GFCCVEGCSA-N 2 2 320.393 1.325 20 5 DDBDLP C[NH+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1 ZINC001162690166 867739292 /nfs/dbraw/zinc/73/92/92/867739292.db2.gz TUQRCHNNYKBRFU-GFCCVEGCSA-N 2 2 320.393 1.325 20 5 DDBDLP C[C@H]1CC[N@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493462 870012463 /nfs/dbraw/zinc/01/24/63/870012463.db2.gz ZTDOGKHZGBKAJG-ZDUSSCGKSA-N 2 2 320.393 1.855 20 5 DDBDLP C[C@H]1CC[N@@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493462 870012477 /nfs/dbraw/zinc/01/24/77/870012477.db2.gz ZTDOGKHZGBKAJG-ZDUSSCGKSA-N 2 2 320.393 1.855 20 5 DDBDLP CC[N@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551753 185302654 /nfs/dbraw/zinc/30/26/54/185302654.db2.gz NJHWJFBSJJFHIV-CYBMUJFWSA-N 2 2 308.382 1.030 20 5 DDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551753 185302655 /nfs/dbraw/zinc/30/26/55/185302655.db2.gz NJHWJFBSJJFHIV-CYBMUJFWSA-N 2 2 308.382 1.030 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551753 185302656 /nfs/dbraw/zinc/30/26/56/185302656.db2.gz NJHWJFBSJJFHIV-CYBMUJFWSA-N 2 2 308.382 1.030 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551753 185302657 /nfs/dbraw/zinc/30/26/57/185302657.db2.gz NJHWJFBSJJFHIV-CYBMUJFWSA-N 2 2 308.382 1.030 20 5 DDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858393 191239881 /nfs/dbraw/zinc/23/98/81/191239881.db2.gz BTYNGUTYUDSHKK-LBPRGKRZSA-N 2 2 320.393 1.467 20 5 DDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858393 191239885 /nfs/dbraw/zinc/23/98/85/191239885.db2.gz BTYNGUTYUDSHKK-LBPRGKRZSA-N 2 2 320.393 1.467 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858393 191239888 /nfs/dbraw/zinc/23/98/88/191239888.db2.gz BTYNGUTYUDSHKK-LBPRGKRZSA-N 2 2 320.393 1.467 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858393 191239890 /nfs/dbraw/zinc/23/98/90/191239890.db2.gz BTYNGUTYUDSHKK-LBPRGKRZSA-N 2 2 320.393 1.467 20 5 DDBDLP C[NH+](C)C1CC[NH+](CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193464827 201057535 /nfs/dbraw/zinc/05/75/35/201057535.db2.gz UCQRKMSIHNPHNC-UHFFFAOYSA-N 2 2 307.398 1.615 20 5 DDBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764130 284256916 /nfs/dbraw/zinc/25/69/16/284256916.db2.gz OCZHPQOVCHXRQF-CQSZACIVSA-N 2 2 307.398 1.455 20 5 DDBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764130 284256919 /nfs/dbraw/zinc/25/69/19/284256919.db2.gz OCZHPQOVCHXRQF-CQSZACIVSA-N 2 2 307.398 1.455 20 5 DDBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764130 284256920 /nfs/dbraw/zinc/25/69/20/284256920.db2.gz OCZHPQOVCHXRQF-CQSZACIVSA-N 2 2 307.398 1.455 20 5 DDBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764130 284256922 /nfs/dbraw/zinc/25/69/22/284256922.db2.gz OCZHPQOVCHXRQF-CQSZACIVSA-N 2 2 307.398 1.455 20 5 DDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107370055 407373548 /nfs/dbraw/zinc/37/35/48/407373548.db2.gz DHGJECQWDHSAGS-INIZCTEOSA-N 2 2 318.421 1.807 20 5 DDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107370055 407373549 /nfs/dbraw/zinc/37/35/49/407373549.db2.gz DHGJECQWDHSAGS-INIZCTEOSA-N 2 2 318.421 1.807 20 5 DDBDLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000261737260 407596069 /nfs/dbraw/zinc/59/60/69/407596069.db2.gz KGBZRJCVUXHPOL-INIZCTEOSA-N 2 2 318.377 1.155 20 5 DDBDLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000261737260 407596072 /nfs/dbraw/zinc/59/60/72/407596072.db2.gz KGBZRJCVUXHPOL-INIZCTEOSA-N 2 2 318.377 1.155 20 5 DDBDLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264351555 408456664 /nfs/dbraw/zinc/45/66/64/408456664.db2.gz HDXYNLVJJDAZQP-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264351555 408456667 /nfs/dbraw/zinc/45/66/67/408456667.db2.gz HDXYNLVJJDAZQP-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357069003 409836516 /nfs/dbraw/zinc/83/65/16/409836516.db2.gz FASJPSDLOUNNQJ-AGIUHOORSA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357069003 409836520 /nfs/dbraw/zinc/83/65/20/409836520.db2.gz FASJPSDLOUNNQJ-AGIUHOORSA-N 2 2 318.377 1.463 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346110006 409790840 /nfs/dbraw/zinc/79/08/40/409790840.db2.gz VLSUCWKMWLAHON-GFCCVEGCSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346110006 409790846 /nfs/dbraw/zinc/79/08/46/409790846.db2.gz VLSUCWKMWLAHON-GFCCVEGCSA-N 2 2 306.366 1.655 20 5 DDBDLP CC[NH+]1CCC([N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000375006455 418587612 /nfs/dbraw/zinc/58/76/12/418587612.db2.gz XCQOZBZULOLEFS-UHFFFAOYSA-N 2 2 307.398 1.740 20 5 DDBDLP CC[NH+]1CCC([N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000375006455 418587613 /nfs/dbraw/zinc/58/76/13/418587613.db2.gz XCQOZBZULOLEFS-UHFFFAOYSA-N 2 2 307.398 1.740 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420360446 420234954 /nfs/dbraw/zinc/23/49/54/420234954.db2.gz HDQOPAGQOPUWJY-YWPYICTPSA-N 2 2 320.393 1.818 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420372210 420242856 /nfs/dbraw/zinc/24/28/56/420242856.db2.gz QBHAIWNDZHDBMG-NSODJVPESA-N 2 2 320.393 1.818 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420372208 420243554 /nfs/dbraw/zinc/24/35/54/420243554.db2.gz QBHAIWNDZHDBMG-KANYHAFZSA-N 2 2 320.393 1.818 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765057 420712239 /nfs/dbraw/zinc/71/22/39/420712239.db2.gz ITKCSJFJZJSVFG-WOPDTQHZSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765057 420712244 /nfs/dbraw/zinc/71/22/44/420712244.db2.gz ITKCSJFJZJSVFG-WOPDTQHZSA-N 2 2 306.366 1.591 20 5 DDBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000563419474 421505683 /nfs/dbraw/zinc/50/56/83/421505683.db2.gz WQOABPKQSLKQTC-DOMZBBRYSA-N 2 2 305.378 1.628 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000516570219 421553282 /nfs/dbraw/zinc/55/32/82/421553282.db2.gz PGELXIVMEAKMED-GFCCVEGCSA-N 2 2 311.407 1.844 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000516570219 421553285 /nfs/dbraw/zinc/55/32/85/421553285.db2.gz PGELXIVMEAKMED-GFCCVEGCSA-N 2 2 311.407 1.844 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342134389 271311861 /nfs/dbraw/zinc/31/18/61/271311861.db2.gz PQISTKOQJPAPFI-SNVBAGLBSA-N 2 2 322.365 1.401 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000346673588 272514872 /nfs/dbraw/zinc/51/48/72/272514872.db2.gz IDOYKQWVIUMZQA-MNOVXSKESA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000346673588 272514874 /nfs/dbraw/zinc/51/48/74/272514874.db2.gz IDOYKQWVIUMZQA-MNOVXSKESA-N 2 2 309.366 1.781 20 5 DDBDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522042 277116784 /nfs/dbraw/zinc/11/67/84/277116784.db2.gz RENADVVNARJTTA-BBRMVZONSA-N 2 2 318.421 1.810 20 5 DDBDLP CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577162365 308366808 /nfs/dbraw/zinc/36/68/08/308366808.db2.gz FPMFGXYKTLHLJP-CYBMUJFWSA-N 2 2 321.381 1.264 20 5 DDBDLP CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577162365 308366809 /nfs/dbraw/zinc/36/68/09/308366809.db2.gz FPMFGXYKTLHLJP-CYBMUJFWSA-N 2 2 321.381 1.264 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571286 706722074 /nfs/dbraw/zinc/72/20/74/706722074.db2.gz OSLBIFPAFTZLEK-ZIAGYGMSSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571286 706722075 /nfs/dbraw/zinc/72/20/75/706722075.db2.gz OSLBIFPAFTZLEK-ZIAGYGMSSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571286 706722076 /nfs/dbraw/zinc/72/20/76/706722076.db2.gz OSLBIFPAFTZLEK-ZIAGYGMSSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571286 706722077 /nfs/dbraw/zinc/72/20/77/706722077.db2.gz OSLBIFPAFTZLEK-ZIAGYGMSSA-N 2 2 305.378 2.000 20 5 DDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001173232153 777063752 /nfs/dbraw/zinc/06/37/52/777063752.db2.gz DAGJSCWXHGZBBH-LBPRGKRZSA-N 2 2 305.382 1.298 20 5 DDBDLP [NH3+]C[C@@]1(Nc2ncc(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160508409 865891004 /nfs/dbraw/zinc/89/10/04/865891004.db2.gz FYOXIEWNDXRTLW-CYBMUJFWSA-N 2 2 311.773 1.478 20 5 DDBDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001205967050 871964796 /nfs/dbraw/zinc/96/47/96/871964796.db2.gz HSEYZHKCQKUNEM-HZPDHXFCSA-N 2 2 308.385 1.677 20 5 DDBDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001205967050 871964810 /nfs/dbraw/zinc/96/48/10/871964810.db2.gz HSEYZHKCQKUNEM-HZPDHXFCSA-N 2 2 308.385 1.677 20 5 DDBDLP Nc1ccc2n(C(=O)[C@@H]([NH3+])CC[NH3+])c3ccccc3cc-2c1=O ZINC001219255908 878059977 /nfs/dbraw/zinc/05/99/77/878059977.db2.gz MZPBFPSWJRTHDF-ZDUSSCGKSA-N 2 2 310.357 1.005 20 5 DDBDLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246151654 892445746 /nfs/dbraw/zinc/44/57/46/892445746.db2.gz KODIAHCDIQIDPL-JSGCOSHPSA-N 2 2 323.393 1.786 20 5 DDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969919 356076043 /nfs/dbraw/zinc/07/60/43/356076043.db2.gz GNYIHCASRJFJJM-CHWSQXEVSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969919 356076045 /nfs/dbraw/zinc/07/60/45/356076045.db2.gz GNYIHCASRJFJJM-CHWSQXEVSA-N 2 2 311.382 1.185 20 5 DDBDLP C[NH+](C)C1CC[NH+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596152442 356793746 /nfs/dbraw/zinc/79/37/46/356793746.db2.gz XYGOSAHMAGBUSO-UHFFFAOYSA-N 2 2 309.370 1.133 20 5 DDBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599084994 357810543 /nfs/dbraw/zinc/81/05/43/357810543.db2.gz IGQCPERNWSMCSN-UKRRQHHQSA-N 2 2 307.394 1.572 20 5 DDBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599084994 357810544 /nfs/dbraw/zinc/81/05/44/357810544.db2.gz IGQCPERNWSMCSN-UKRRQHHQSA-N 2 2 307.394 1.572 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602894640 359278066 /nfs/dbraw/zinc/27/80/66/359278066.db2.gz YLHVSLIXWVEWRW-MRXNPFEDSA-N 2 2 323.393 1.362 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602894640 359278067 /nfs/dbraw/zinc/27/80/67/359278067.db2.gz YLHVSLIXWVEWRW-MRXNPFEDSA-N 2 2 323.393 1.362 20 5 DDBDLP Cc1cc[nH+]c(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000166264847 162164939 /nfs/dbraw/zinc/16/49/39/162164939.db2.gz ACWXFDITPMODBE-UHFFFAOYSA-N 2 2 316.365 1.317 20 5 DDBDLP C[NH+](CCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000285869851 408880072 /nfs/dbraw/zinc/88/00/72/408880072.db2.gz YWBBXQMQRNSDPH-UHFFFAOYSA-N 2 2 321.381 1.838 20 5 DDBDLP C[NH+](CCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000285869851 408880074 /nfs/dbraw/zinc/88/00/74/408880074.db2.gz YWBBXQMQRNSDPH-UHFFFAOYSA-N 2 2 321.381 1.838 20 5 DDBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCn1cc([N+](=O)[O-])cn1 ZINC000285869851 408880077 /nfs/dbraw/zinc/88/00/77/408880077.db2.gz YWBBXQMQRNSDPH-UHFFFAOYSA-N 2 2 321.381 1.838 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351861999 410300237 /nfs/dbraw/zinc/30/02/37/410300237.db2.gz MZPVXINJKRBZMT-JQWIXIFHSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351861999 410300244 /nfs/dbraw/zinc/30/02/44/410300244.db2.gz MZPVXINJKRBZMT-JQWIXIFHSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351861998 410300528 /nfs/dbraw/zinc/30/05/28/410300528.db2.gz MZPVXINJKRBZMT-CMPLNLGQSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351861998 410300533 /nfs/dbraw/zinc/30/05/33/410300533.db2.gz MZPVXINJKRBZMT-CMPLNLGQSA-N 2 2 317.349 1.814 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000348342858 410926142 /nfs/dbraw/zinc/92/61/42/410926142.db2.gz ZQTJFHRLOFTJRM-CQSZACIVSA-N 2 2 303.366 1.569 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571448 418467118 /nfs/dbraw/zinc/46/71/18/418467118.db2.gz UULXMJRDEWEVHJ-WBMJQRKESA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571448 418467122 /nfs/dbraw/zinc/46/71/22/418467122.db2.gz UULXMJRDEWEVHJ-WBMJQRKESA-N 2 2 318.377 1.607 20 5 DDBDLP C[NH2+]C[C@@H](C)CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423273560 420001393 /nfs/dbraw/zinc/00/13/93/420001393.db2.gz LCSSKPMWICCROM-DOMZBBRYSA-N 2 2 317.393 1.863 20 5 DDBDLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000423653067 420114948 /nfs/dbraw/zinc/11/49/48/420114948.db2.gz YMPSBCRHFZMONJ-JQWIXIFHSA-N 2 2 315.333 1.342 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430590739 420149341 /nfs/dbraw/zinc/14/93/41/420149341.db2.gz INPCMSWKAIDBTF-UHFFFAOYSA-N 2 2 308.382 1.758 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430590739 420149343 /nfs/dbraw/zinc/14/93/43/420149343.db2.gz INPCMSWKAIDBTF-UHFFFAOYSA-N 2 2 308.382 1.758 20 5 DDBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418845 421506713 /nfs/dbraw/zinc/50/67/13/421506713.db2.gz QINQVXDWMRYTBR-IUODEOHRSA-N 2 2 304.394 1.418 20 5 DDBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418845 421506717 /nfs/dbraw/zinc/50/67/17/421506717.db2.gz QINQVXDWMRYTBR-IUODEOHRSA-N 2 2 304.394 1.418 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574424180 422107582 /nfs/dbraw/zinc/10/75/82/422107582.db2.gz MTMFTWHEGOXZKP-LBPRGKRZSA-N 2 2 321.381 1.318 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574424180 422107588 /nfs/dbraw/zinc/10/75/88/422107588.db2.gz MTMFTWHEGOXZKP-LBPRGKRZSA-N 2 2 321.381 1.318 20 5 DDBDLP C[C@@H](C[NH3+])C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423314289 277570023 /nfs/dbraw/zinc/57/00/23/277570023.db2.gz XYKXZFKNRBAHMJ-SMDDNHRTSA-N 2 2 303.366 1.602 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000370047259 301265101 /nfs/dbraw/zinc/26/51/01/301265101.db2.gz WUIDUMWFHWMHGJ-UHFFFAOYSA-N 2 2 307.398 1.636 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145244 337245815 /nfs/dbraw/zinc/24/58/15/337245815.db2.gz DYLGZBFCLWNSHB-DOMZBBRYSA-N 2 2 318.377 1.371 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145244 337245816 /nfs/dbraw/zinc/24/58/16/337245816.db2.gz DYLGZBFCLWNSHB-DOMZBBRYSA-N 2 2 318.377 1.371 20 5 DDBDLP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903467381 711136069 /nfs/dbraw/zinc/13/60/69/711136069.db2.gz ATSDLMQXYQZPSV-CQSZACIVSA-N 2 2 318.377 1.798 20 5 DDBDLP CC[NH+]1CCN(c2ccc(C[NH2+]CC[N+](=O)[O-])cc2F)CC1 ZINC000905096919 711935015 /nfs/dbraw/zinc/93/50/15/711935015.db2.gz MZIWKPDQRIAIMT-UHFFFAOYSA-N 2 2 310.373 1.334 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001168736950 748483472 /nfs/dbraw/zinc/48/34/72/748483472.db2.gz TUMLPEJXCYFYDT-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP CN(C)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001168741327 748746324 /nfs/dbraw/zinc/74/63/24/748746324.db2.gz XYAPEYGLKPACRB-UHFFFAOYSA-N 2 2 306.370 1.255 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001158204897 864487158 /nfs/dbraw/zinc/48/71/58/864487158.db2.gz UNWJWDGUHQGNEM-SNVBAGLBSA-N 2 2 313.317 1.191 20 5 DDBDLP COc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cnc1[N+](=O)[O-] ZINC001164213573 869022577 /nfs/dbraw/zinc/02/25/77/869022577.db2.gz WVWQACSTAGMYBI-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001336739786 869117331 /nfs/dbraw/zinc/11/73/31/869117331.db2.gz QYDVVHICMAQXNM-DOMZBBRYSA-N 2 2 304.350 1.751 20 5 DDBDLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242084 879875681 /nfs/dbraw/zinc/87/56/81/879875681.db2.gz LCWWDTNASGXJFY-SOUVJXGZSA-N 2 2 307.394 1.947 20 5 DDBDLP CN(C)c1[nH+]cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1C ZINC000414365635 529809437 /nfs/dbraw/zinc/80/94/37/529809437.db2.gz MMPQWYKVRSUXTL-UHFFFAOYSA-N 2 2 303.366 1.727 20 5 DDBDLP CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000316619993 354504287 /nfs/dbraw/zinc/50/42/87/354504287.db2.gz AUZMHBSPORRILS-MFKMUULPSA-N 2 2 306.366 1.253 20 5 DDBDLP CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000316619993 354504290 /nfs/dbraw/zinc/50/42/90/354504290.db2.gz AUZMHBSPORRILS-MFKMUULPSA-N 2 2 306.366 1.253 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428716 355580389 /nfs/dbraw/zinc/58/03/89/355580389.db2.gz PVQMLCOXXJCMIP-WDEREUQCSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428716 355580394 /nfs/dbraw/zinc/58/03/94/355580394.db2.gz PVQMLCOXXJCMIP-WDEREUQCSA-N 2 2 307.350 1.535 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCCC[NH+]3CCOCC3)c2c1 ZINC000601099114 358402247 /nfs/dbraw/zinc/40/22/47/358402247.db2.gz SZXTULSLOAOYAK-UHFFFAOYSA-N 2 2 316.361 1.699 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351490741 284340226 /nfs/dbraw/zinc/34/02/26/284340226.db2.gz IYVLQRUCTZDQHG-BAESOJJISA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351490741 284340228 /nfs/dbraw/zinc/34/02/28/284340228.db2.gz IYVLQRUCTZDQHG-BAESOJJISA-N 2 2 318.377 1.591 20 5 DDBDLP COCC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326009 285081464 /nfs/dbraw/zinc/08/14/64/285081464.db2.gz IWSCJUDQULLFTD-OLZOCXBDSA-N 2 2 311.386 1.101 20 5 DDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352700047 285238210 /nfs/dbraw/zinc/23/82/10/285238210.db2.gz KVOJUDBZFVGWHH-IMMZDGJCSA-N 2 2 316.405 1.588 20 5 DDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352700048 285238249 /nfs/dbraw/zinc/23/82/49/285238249.db2.gz KVOJUDBZFVGWHH-LLCTXKFZSA-N 2 2 316.405 1.588 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261893960 407659386 /nfs/dbraw/zinc/65/93/86/407659386.db2.gz OBJZKHZJXDNZPQ-HNNXBMFYSA-N 2 2 320.393 1.083 20 5 DDBDLP C[C@@]1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000261970998 407695231 /nfs/dbraw/zinc/69/52/31/407695231.db2.gz IFPBKSLIKWOQKG-MRXNPFEDSA-N 2 2 304.394 1.716 20 5 DDBDLP C[C@@H](C[NH3+])N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179184666 407746484 /nfs/dbraw/zinc/74/64/84/407746484.db2.gz WQNYNSHWWRMJHN-JTQLQIEISA-N 2 2 303.322 1.200 20 5 DDBDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000134708972 162085181 /nfs/dbraw/zinc/08/51/81/162085181.db2.gz IZMWMRJFHTVUOP-CYBMUJFWSA-N 2 2 307.398 1.740 20 5 DDBDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000134708972 162085185 /nfs/dbraw/zinc/08/51/85/162085185.db2.gz IZMWMRJFHTVUOP-CYBMUJFWSA-N 2 2 307.398 1.740 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000178248266 408793230 /nfs/dbraw/zinc/79/32/30/408793230.db2.gz ZDNBEDTYOBFYSQ-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP C[NH+](C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000277303311 408915700 /nfs/dbraw/zinc/91/57/00/408915700.db2.gz UHOVVTSSGYBWLX-CYBMUJFWSA-N 2 2 308.382 1.173 20 5 DDBDLP C[NH+](C)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000277303311 408915702 /nfs/dbraw/zinc/91/57/02/408915702.db2.gz UHOVVTSSGYBWLX-CYBMUJFWSA-N 2 2 308.382 1.173 20 5 DDBDLP CC[C@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295276304 409408047 /nfs/dbraw/zinc/40/80/47/409408047.db2.gz SMSIFOKWYWHHMV-NSHDSACASA-N 2 2 303.322 1.248 20 5 DDBDLP [NH3+]CC[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000342428210 409622680 /nfs/dbraw/zinc/62/26/80/409622680.db2.gz WLVHOXLWXJHXNL-UHFFFAOYSA-N 2 2 320.349 1.045 20 5 DDBDLP [NH3+]CC[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000342428210 409622687 /nfs/dbraw/zinc/62/26/87/409622687.db2.gz WLVHOXLWXJHXNL-UHFFFAOYSA-N 2 2 320.349 1.045 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858427 410296709 /nfs/dbraw/zinc/29/67/09/410296709.db2.gz DCEQAXYPQPQYLO-AVGNSLFASA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858427 410296714 /nfs/dbraw/zinc/29/67/14/410296714.db2.gz DCEQAXYPQPQYLO-AVGNSLFASA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351864495 410305727 /nfs/dbraw/zinc/30/57/27/410305727.db2.gz YIICHPTVCPBMDO-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351864495 410305736 /nfs/dbraw/zinc/30/57/36/410305736.db2.gz YIICHPTVCPBMDO-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP CC(C)[C@@H]([NH3+])CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423276495 420001249 /nfs/dbraw/zinc/00/12/49/420001249.db2.gz OMFKJXDMEVWDEG-GJZGRUSLSA-N 2 2 317.393 1.991 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423550558 420079571 /nfs/dbraw/zinc/07/95/71/420079571.db2.gz FQCURCUGPJNMRL-WCQYABFASA-N 2 2 309.366 1.633 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765167 420710959 /nfs/dbraw/zinc/71/09/59/420710959.db2.gz HBUUUYDIFZWWNT-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765167 420710963 /nfs/dbraw/zinc/71/09/63/420710963.db2.gz HBUUUYDIFZWWNT-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449556992 421026350 /nfs/dbraw/zinc/02/63/50/421026350.db2.gz OUULXNJLKZVWIH-NEPJUHHUSA-N 2 2 308.382 1.852 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000843062698 702811182 /nfs/dbraw/zinc/81/11/82/702811182.db2.gz RERBHLNKBIXNKW-HZPDHXFCSA-N 2 2 323.393 1.065 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902446350 710756550 /nfs/dbraw/zinc/75/65/50/710756550.db2.gz OGVQTRVYHKYBEY-SMDDNHRTSA-N 2 2 320.393 1.900 20 5 DDBDLP O=C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000903864058 711307737 /nfs/dbraw/zinc/30/77/37/711307737.db2.gz GQLQSAGYQHZJJV-INIZCTEOSA-N 2 2 318.377 1.751 20 5 DDBDLP O=C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000903864058 711307741 /nfs/dbraw/zinc/30/77/41/711307741.db2.gz GQLQSAGYQHZJJV-INIZCTEOSA-N 2 2 318.377 1.751 20 5 DDBDLP CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923287724 714298119 /nfs/dbraw/zinc/29/81/19/714298119.db2.gz VYEPHGZWBAPTHU-CABCVRRESA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923287724 714298121 /nfs/dbraw/zinc/29/81/21/714298121.db2.gz VYEPHGZWBAPTHU-CABCVRRESA-N 2 2 323.393 1.408 20 5 DDBDLP Cc1cc(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc(C)[nH+]1 ZINC001169027853 762184643 /nfs/dbraw/zinc/18/46/43/762184643.db2.gz RDYVFLNCCWAYPI-HUUCEWRRSA-N 2 2 319.409 1.661 20 5 DDBDLP [NH2+]=C(NCCCC[NH3+])Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001157093482 863568763 /nfs/dbraw/zinc/56/87/63/863568763.db2.gz CGLWSJABBIPRHS-UHFFFAOYSA-N 2 2 322.156 1.367 20 5 DDBDLP COc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164206899 869014406 /nfs/dbraw/zinc/01/44/06/869014406.db2.gz JRLZWMCULWWWGG-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976505 530059543 /nfs/dbraw/zinc/05/95/43/530059543.db2.gz MRKKWAMWTUDXML-MRXNPFEDSA-N 2 2 320.393 1.174 20 5 DDBDLP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976505 530059544 /nfs/dbraw/zinc/05/95/44/530059544.db2.gz MRKKWAMWTUDXML-MRXNPFEDSA-N 2 2 320.393 1.174 20 5 DDBDLP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976505 530059545 /nfs/dbraw/zinc/05/95/45/530059545.db2.gz MRKKWAMWTUDXML-MRXNPFEDSA-N 2 2 320.393 1.174 20 5 DDBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976505 530059546 /nfs/dbraw/zinc/05/95/46/530059546.db2.gz MRKKWAMWTUDXML-MRXNPFEDSA-N 2 2 320.393 1.174 20 5 DDBDLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404307949 354676123 /nfs/dbraw/zinc/67/61/23/354676123.db2.gz IYDBJMZNRLOARJ-GXTWGEPZSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404307949 354676124 /nfs/dbraw/zinc/67/61/24/354676124.db2.gz IYDBJMZNRLOARJ-GXTWGEPZSA-N 2 2 320.393 1.983 20 5 DDBDLP C[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000595983051 356735477 /nfs/dbraw/zinc/73/54/77/356735477.db2.gz MXZUHODBCWOIEG-SNVBAGLBSA-N 2 2 303.322 1.118 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000597989849 357408839 /nfs/dbraw/zinc/40/88/39/357408839.db2.gz KOXFNOUCGOPMQS-UHFFFAOYSA-N 2 2 322.409 1.137 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000597989849 357408841 /nfs/dbraw/zinc/40/88/41/357408841.db2.gz KOXFNOUCGOPMQS-UHFFFAOYSA-N 2 2 322.409 1.137 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000600678277 358280296 /nfs/dbraw/zinc/28/02/96/358280296.db2.gz PMGYFLRJSLZMRM-UHFFFAOYSA-N 2 2 309.366 1.591 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600681440 358281618 /nfs/dbraw/zinc/28/16/18/358281618.db2.gz HVIVTMUWIHECMU-UHIISALHSA-N 2 2 306.366 1.652 20 5 DDBDLP CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472929 284329173 /nfs/dbraw/zinc/32/91/73/284329173.db2.gz BWUYMTUJTUHDIH-GLQYFDAESA-N 2 2 318.377 1.227 20 5 DDBDLP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472929 284329175 /nfs/dbraw/zinc/32/91/75/284329175.db2.gz BWUYMTUJTUHDIH-GLQYFDAESA-N 2 2 318.377 1.227 20 5 DDBDLP CC[C@@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295276298 409409517 /nfs/dbraw/zinc/40/95/17/409409517.db2.gz SMSIFOKWYWHHMV-LLVKDONJSA-N 2 2 303.322 1.248 20 5 DDBDLP O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000415101725 419943680 /nfs/dbraw/zinc/94/36/80/419943680.db2.gz ICBLQFUBHAMLQU-CYBMUJFWSA-N 2 2 305.382 1.111 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915444 420202904 /nfs/dbraw/zinc/20/29/04/420202904.db2.gz CXQYWYUWIZYKLJ-QWHCGFSZSA-N 2 2 320.393 1.772 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915444 420202907 /nfs/dbraw/zinc/20/29/07/420202907.db2.gz CXQYWYUWIZYKLJ-QWHCGFSZSA-N 2 2 320.393 1.772 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430925375 420209533 /nfs/dbraw/zinc/20/95/33/420209533.db2.gz KXBSXVNKJFWYJG-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430925375 420209535 /nfs/dbraw/zinc/20/95/35/420209535.db2.gz KXBSXVNKJFWYJG-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925091 420209549 /nfs/dbraw/zinc/20/95/49/420209549.db2.gz KDQRVQKSYATVKZ-DOMZBBRYSA-N 2 2 318.377 1.241 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925091 420209553 /nfs/dbraw/zinc/20/95/53/420209553.db2.gz KDQRVQKSYATVKZ-DOMZBBRYSA-N 2 2 318.377 1.241 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953782 420221500 /nfs/dbraw/zinc/22/15/00/420221500.db2.gz ICXLOIUGAONZAX-DRZSPHRISA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953782 420221503 /nfs/dbraw/zinc/22/15/03/420221503.db2.gz ICXLOIUGAONZAX-DRZSPHRISA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755889 420707687 /nfs/dbraw/zinc/70/76/87/420707687.db2.gz JNCUANNMBPDUTE-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755889 420707691 /nfs/dbraw/zinc/70/76/91/420707691.db2.gz JNCUANNMBPDUTE-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP COc1cc(C[NH2+]CCc2cn(C)c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000459651954 420839975 /nfs/dbraw/zinc/83/99/75/420839975.db2.gz BBOCUXSWEDWLRS-UHFFFAOYSA-N 2 2 320.349 1.678 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000430568985 277278754 /nfs/dbraw/zinc/27/87/54/277278754.db2.gz HVEJQRKYBVUEHO-AWEZNQCLSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000430568985 277278755 /nfs/dbraw/zinc/27/87/55/277278755.db2.gz HVEJQRKYBVUEHO-AWEZNQCLSA-N 2 2 320.393 1.916 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000818959294 704035236 /nfs/dbraw/zinc/03/52/36/704035236.db2.gz HQCBESFHOLHNNH-ARFHVFGLSA-N 2 2 305.378 1.845 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000818959294 704035242 /nfs/dbraw/zinc/03/52/42/704035242.db2.gz HQCBESFHOLHNNH-ARFHVFGLSA-N 2 2 305.378 1.845 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000873020390 707697039 /nfs/dbraw/zinc/69/70/39/707697039.db2.gz QSKPZOCAXJUUEA-CQSZACIVSA-N 2 2 307.394 1.758 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000873020389 707697386 /nfs/dbraw/zinc/69/73/86/707697386.db2.gz QSKPZOCAXJUUEA-AWEZNQCLSA-N 2 2 307.394 1.758 20 5 DDBDLP CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000923288279 714298603 /nfs/dbraw/zinc/29/86/03/714298603.db2.gz ZMPDGZKYQPYBKU-UONOGXRCSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000923288279 714298604 /nfs/dbraw/zinc/29/86/04/714298604.db2.gz ZMPDGZKYQPYBKU-UONOGXRCSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000923288277 714298707 /nfs/dbraw/zinc/29/87/07/714298707.db2.gz ZMPDGZKYQPYBKU-KBPBESRZSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000923288277 714298709 /nfs/dbraw/zinc/29/87/09/714298709.db2.gz ZMPDGZKYQPYBKU-KBPBESRZSA-N 2 2 323.393 1.408 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169073162 762220404 /nfs/dbraw/zinc/22/04/04/762220404.db2.gz AUQHKUMTMWPPHF-SNVBAGLBSA-N 2 2 301.306 1.124 20 5 DDBDLP CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001357260704 879882160 /nfs/dbraw/zinc/88/21/60/879882160.db2.gz SBCMRXTYFHOJDL-CQSZACIVSA-N 2 2 304.350 1.850 20 5 DDBDLP C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]C1 ZINC000591278288 355277081 /nfs/dbraw/zinc/27/70/81/355277081.db2.gz DXEKPJQLHNELDK-INIZCTEOSA-N 2 2 321.377 1.845 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596452258 356883620 /nfs/dbraw/zinc/88/36/20/356883620.db2.gz ALEBLVLQZFHBDL-UHFFFAOYSA-N 2 2 323.397 1.600 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596452258 356883623 /nfs/dbraw/zinc/88/36/23/356883623.db2.gz ALEBLVLQZFHBDL-UHFFFAOYSA-N 2 2 323.397 1.600 20 5 DDBDLP C[NH+](C)C[C@@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059127 357805231 /nfs/dbraw/zinc/80/52/31/357805231.db2.gz MYDXRTOSSWBRJW-HNNXBMFYSA-N 2 2 304.350 1.868 20 5 DDBDLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602526495 359027605 /nfs/dbraw/zinc/02/76/05/359027605.db2.gz KOPKPSQEKOQTKL-CQSZACIVSA-N 2 2 319.409 1.642 20 5 DDBDLP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602526495 359027611 /nfs/dbraw/zinc/02/76/11/359027611.db2.gz KOPKPSQEKOQTKL-CQSZACIVSA-N 2 2 319.409 1.642 20 5 DDBDLP Cn1c[nH+]cc1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602817943 359212750 /nfs/dbraw/zinc/21/27/50/359212750.db2.gz KNKAFDZZAMFLLQ-UHFFFAOYSA-N 2 2 304.354 1.404 20 5 DDBDLP CC1([NH+]2CCCC2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602949216 359315621 /nfs/dbraw/zinc/31/56/21/359315621.db2.gz GIMAUCJBPMXAKL-UHFFFAOYSA-N 2 2 307.398 1.742 20 5 DDBDLP C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261844272 407639163 /nfs/dbraw/zinc/63/91/63/407639163.db2.gz YZLVZVDBIACMQV-FUNVUKJBSA-N 2 2 318.377 1.748 20 5 DDBDLP C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261844272 407639167 /nfs/dbraw/zinc/63/91/67/407639167.db2.gz YZLVZVDBIACMQV-FUNVUKJBSA-N 2 2 318.377 1.748 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850751 407641615 /nfs/dbraw/zinc/64/16/15/407641615.db2.gz DLJGIGAKBCLUHQ-NEPJUHHUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850751 407641620 /nfs/dbraw/zinc/64/16/20/407641620.db2.gz DLJGIGAKBCLUHQ-NEPJUHHUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262554803 407864858 /nfs/dbraw/zinc/86/48/58/407864858.db2.gz TWNBTKQQZQVJQZ-MFKMUULPSA-N 2 2 306.366 1.110 20 5 DDBDLP C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262554803 407864863 /nfs/dbraw/zinc/86/48/63/407864863.db2.gz TWNBTKQQZQVJQZ-MFKMUULPSA-N 2 2 306.366 1.110 20 5 DDBDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668332 409158014 /nfs/dbraw/zinc/15/80/14/409158014.db2.gz JPMLFWIXVHELFN-DGCLKSJQSA-N 2 2 307.398 1.073 20 5 DDBDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668332 409158017 /nfs/dbraw/zinc/15/80/17/409158017.db2.gz JPMLFWIXVHELFN-DGCLKSJQSA-N 2 2 307.398 1.073 20 5 DDBDLP C[C@H](C[NH3+])[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435388566 229380626 /nfs/dbraw/zinc/38/06/26/229380626.db2.gz GNNLZHZSUNFQJH-LLVKDONJSA-N 2 2 303.366 1.774 20 5 DDBDLP C[C@H](C[NH3+])[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435388566 229380629 /nfs/dbraw/zinc/38/06/29/229380629.db2.gz GNNLZHZSUNFQJH-LLVKDONJSA-N 2 2 303.366 1.774 20 5 DDBDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517858 420069573 /nfs/dbraw/zinc/06/95/73/420069573.db2.gz OJFZKFMBVPZIDI-GOEBONIOSA-N 2 2 304.394 1.465 20 5 DDBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430585336 420148145 /nfs/dbraw/zinc/14/81/45/420148145.db2.gz RUJIDEFUYCBJAY-OAHLLOKOSA-N 2 2 308.382 1.521 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658382 420172718 /nfs/dbraw/zinc/17/27/18/420172718.db2.gz XJMIWXHQHDOBRS-QWHCGFSZSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658382 420172722 /nfs/dbraw/zinc/17/27/22/420172722.db2.gz XJMIWXHQHDOBRS-QWHCGFSZSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420376262 420245782 /nfs/dbraw/zinc/24/57/82/420245782.db2.gz UXDCQVJMDJIPIQ-CQSZACIVSA-N 2 2 320.393 1.819 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420388139 420255488 /nfs/dbraw/zinc/25/54/88/420255488.db2.gz WVDLBGYPTPKVRN-AAEUAGOBSA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420388139 420255490 /nfs/dbraw/zinc/25/54/90/420255490.db2.gz WVDLBGYPTPKVRN-AAEUAGOBSA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435621901 420268759 /nfs/dbraw/zinc/26/87/59/420268759.db2.gz OUTFQXGUJBPBNE-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435621901 420268764 /nfs/dbraw/zinc/26/87/64/420268764.db2.gz OUTFQXGUJBPBNE-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767202 420711500 /nfs/dbraw/zinc/71/15/00/420711500.db2.gz QFOQTKFETMIELU-NEPJUHHUSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767202 420711502 /nfs/dbraw/zinc/71/15/02/420711502.db2.gz QFOQTKFETMIELU-NEPJUHHUSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000448677394 420880926 /nfs/dbraw/zinc/88/09/26/420880926.db2.gz MGSHJWQMSHXMGG-LLVKDONJSA-N 2 2 317.349 1.460 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430553500 281261226 /nfs/dbraw/zinc/26/12/26/281261226.db2.gz TWIYHPMRLNQDJJ-OLZOCXBDSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430553500 281261228 /nfs/dbraw/zinc/26/12/28/281261228.db2.gz TWIYHPMRLNQDJJ-OLZOCXBDSA-N 2 2 320.393 1.901 20 5 DDBDLP CN(c1ncccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363063830 300205385 /nfs/dbraw/zinc/20/53/85/300205385.db2.gz MGCJALGHSIOWME-AWEZNQCLSA-N 2 2 319.409 1.595 20 5 DDBDLP CN(c1ncccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363063830 300205387 /nfs/dbraw/zinc/20/53/87/300205387.db2.gz MGCJALGHSIOWME-AWEZNQCLSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568621005 308124657 /nfs/dbraw/zinc/12/46/57/308124657.db2.gz KIQRXOYMCMWAJH-CHWSQXEVSA-N 2 2 320.349 1.209 20 5 DDBDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000580291886 308593026 /nfs/dbraw/zinc/59/30/26/308593026.db2.gz NOERRVNAMBJBAX-UHFFFAOYSA-N 2 2 316.365 1.088 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145246 337245752 /nfs/dbraw/zinc/24/57/52/337245752.db2.gz DYLGZBFCLWNSHB-IUODEOHRSA-N 2 2 318.377 1.371 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145246 337245753 /nfs/dbraw/zinc/24/57/53/337245753.db2.gz DYLGZBFCLWNSHB-IUODEOHRSA-N 2 2 318.377 1.371 20 5 DDBDLP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903467380 711136097 /nfs/dbraw/zinc/13/60/97/711136097.db2.gz ATSDLMQXYQZPSV-AWEZNQCLSA-N 2 2 318.377 1.798 20 5 DDBDLP O=C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903865871 711308363 /nfs/dbraw/zinc/30/83/63/711308363.db2.gz SERBOQRECVYGJV-INIZCTEOSA-N 2 2 318.377 1.751 20 5 DDBDLP O=C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903865871 711308365 /nfs/dbraw/zinc/30/83/65/711308365.db2.gz SERBOQRECVYGJV-INIZCTEOSA-N 2 2 318.377 1.751 20 5 DDBDLP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933745564 714661628 /nfs/dbraw/zinc/66/16/28/714661628.db2.gz REEJUTKIDHWOKE-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933745564 714661630 /nfs/dbraw/zinc/66/16/30/714661630.db2.gz REEJUTKIDHWOKE-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933745564 714661632 /nfs/dbraw/zinc/66/16/32/714661632.db2.gz REEJUTKIDHWOKE-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933745564 714661636 /nfs/dbraw/zinc/66/16/36/714661636.db2.gz REEJUTKIDHWOKE-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP CC(C)Oc1nc(NCC[NH+]2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161870902 867054341 /nfs/dbraw/zinc/05/43/41/867054341.db2.gz RBFQUSSYBRENTL-UHFFFAOYSA-N 2 2 323.397 1.612 20 5 DDBDLP C[NH+](C)/C=C\c1cc(N2CC3(C2)C[NH+](C)C3)ncc1[N+](=O)[O-] ZINC001165206645 869431889 /nfs/dbraw/zinc/43/18/89/869431889.db2.gz OLJBEIKEIHWZSF-PLNGDYQASA-N 2 2 303.366 1.274 20 5 DDBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551211 185302425 /nfs/dbraw/zinc/30/24/25/185302425.db2.gz KJTIQMMTYUTPMH-AWEZNQCLSA-N 2 2 322.409 1.420 20 5 DDBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551211 185302426 /nfs/dbraw/zinc/30/24/26/185302426.db2.gz KJTIQMMTYUTPMH-AWEZNQCLSA-N 2 2 322.409 1.420 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485714 355596376 /nfs/dbraw/zinc/59/63/76/355596376.db2.gz VRVCRQZHHMCIGI-LLVKDONJSA-N 2 2 306.366 1.735 20 5 DDBDLP COc1cc(C[N@H+](C)CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000592427727 355580430 /nfs/dbraw/zinc/58/04/30/355580430.db2.gz VKBBBAQOYYZSCT-UHFFFAOYSA-N 2 2 319.308 1.985 20 5 DDBDLP COc1cc(C[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000592427727 355580437 /nfs/dbraw/zinc/58/04/37/355580437.db2.gz VKBBBAQOYYZSCT-UHFFFAOYSA-N 2 2 319.308 1.985 20 5 DDBDLP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000601326082 358497509 /nfs/dbraw/zinc/49/75/09/358497509.db2.gz JGWXBDCVZXZSRA-LALPHHSUSA-N 2 2 318.377 1.227 20 5 DDBDLP C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000601326082 358497511 /nfs/dbraw/zinc/49/75/11/358497511.db2.gz JGWXBDCVZXZSRA-LALPHHSUSA-N 2 2 318.377 1.227 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000595032294 356374397 /nfs/dbraw/zinc/37/43/97/356374397.db2.gz MCVGCLPUDOIYEC-XHDPSFHLSA-N 2 2 309.366 1.321 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000595032294 356374399 /nfs/dbraw/zinc/37/43/99/356374399.db2.gz MCVGCLPUDOIYEC-XHDPSFHLSA-N 2 2 309.366 1.321 20 5 DDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000600717863 358293504 /nfs/dbraw/zinc/29/35/04/358293504.db2.gz SSEYIIIQCOXSCB-UHFFFAOYSA-N 2 2 310.354 1.213 20 5 DDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000600717863 358293509 /nfs/dbraw/zinc/29/35/09/358293509.db2.gz SSEYIIIQCOXSCB-UHFFFAOYSA-N 2 2 310.354 1.213 20 5 DDBDLP C[N@@H+]1CCOC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601203504 358446231 /nfs/dbraw/zinc/44/62/31/358446231.db2.gz RRNBGNZLDLWQAH-GFCCVEGCSA-N 2 2 302.334 1.307 20 5 DDBDLP C[N@H+]1CCOC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601203504 358446236 /nfs/dbraw/zinc/44/62/36/358446236.db2.gz RRNBGNZLDLWQAH-GFCCVEGCSA-N 2 2 302.334 1.307 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261730837 407595629 /nfs/dbraw/zinc/59/56/29/407595629.db2.gz OJHWHITZEPOGCF-XHDPSFHLSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261730837 407595632 /nfs/dbraw/zinc/59/56/32/407595632.db2.gz OJHWHITZEPOGCF-XHDPSFHLSA-N 2 2 306.366 1.593 20 5 DDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000344918383 409552303 /nfs/dbraw/zinc/55/23/03/409552303.db2.gz XOFRILVQWCBZRH-ZGUWOUCSSA-N 2 2 318.421 1.834 20 5 DDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000344918383 409552312 /nfs/dbraw/zinc/55/23/12/409552312.db2.gz XOFRILVQWCBZRH-ZGUWOUCSSA-N 2 2 318.421 1.834 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000357092313 409867385 /nfs/dbraw/zinc/86/73/85/409867385.db2.gz ULSOGNAPAMZSAT-WDEREUQCSA-N 2 2 302.334 1.777 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000357092313 409867390 /nfs/dbraw/zinc/86/73/90/409867390.db2.gz ULSOGNAPAMZSAT-WDEREUQCSA-N 2 2 302.334 1.777 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000371844558 418821387 /nfs/dbraw/zinc/82/13/87/418821387.db2.gz PWSPPRSONGDQFL-UHFFFAOYSA-N 2 2 307.398 1.788 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428033819 419792855 /nfs/dbraw/zinc/79/28/55/419792855.db2.gz NCQGAEVNFKAWSI-TZMCWYRMSA-N 2 2 321.377 1.666 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428033819 419792861 /nfs/dbraw/zinc/79/28/61/419792861.db2.gz NCQGAEVNFKAWSI-TZMCWYRMSA-N 2 2 321.377 1.666 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423355970 420025143 /nfs/dbraw/zinc/02/51/43/420025143.db2.gz GCHPJJCJACRMQK-JMSVASOKSA-N 2 2 320.393 1.900 20 5 DDBDLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420324820 420211018 /nfs/dbraw/zinc/21/10/18/420211018.db2.gz BCNVERRSGCYPSH-SWLSCSKDSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420324820 420211021 /nfs/dbraw/zinc/21/10/21/420211021.db2.gz BCNVERRSGCYPSH-SWLSCSKDSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)C[NH3+] ZINC000430585379 420148310 /nfs/dbraw/zinc/14/83/10/420148310.db2.gz SDTNGWNUSZNWJE-LLVKDONJSA-N 2 2 308.382 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430585379 420148315 /nfs/dbraw/zinc/14/83/15/420148315.db2.gz SDTNGWNUSZNWJE-LLVKDONJSA-N 2 2 308.382 1.839 20 5 DDBDLP CN(C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430592880 420150051 /nfs/dbraw/zinc/15/00/51/420150051.db2.gz NRXHLYSEARVWGH-OAHLLOKOSA-N 2 2 306.366 1.275 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765162 420712377 /nfs/dbraw/zinc/71/23/77/420712377.db2.gz HBUUUYDIFZWWNT-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765162 420712381 /nfs/dbraw/zinc/71/23/81/420712381.db2.gz HBUUUYDIFZWWNT-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP CC[C@H]([NH3+])CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423467896 287931840 /nfs/dbraw/zinc/93/18/40/287931840.db2.gz OEIOEFPIGSIZQB-JSGCOSHPSA-N 2 2 303.366 1.745 20 5 DDBDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363451148 300270101 /nfs/dbraw/zinc/27/01/01/300270101.db2.gz WQPIUXHIKXQXOO-LBPRGKRZSA-N 2 2 318.381 1.924 20 5 DDBDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363451148 300270102 /nfs/dbraw/zinc/27/01/02/300270102.db2.gz WQPIUXHIKXQXOO-LBPRGKRZSA-N 2 2 318.381 1.924 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580626 706727030 /nfs/dbraw/zinc/72/70/30/706727030.db2.gz IPUKDFVUHYLSFV-BMFZPTHFSA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580626 706727033 /nfs/dbraw/zinc/72/70/33/706727033.db2.gz IPUKDFVUHYLSFV-BMFZPTHFSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580626 706727036 /nfs/dbraw/zinc/72/70/36/706727036.db2.gz IPUKDFVUHYLSFV-BMFZPTHFSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580626 706727037 /nfs/dbraw/zinc/72/70/37/706727037.db2.gz IPUKDFVUHYLSFV-BMFZPTHFSA-N 2 2 305.378 1.654 20 5 DDBDLP COc1ccc(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000872154074 707307749 /nfs/dbraw/zinc/30/77/49/707307749.db2.gz SVHZLAQKSMJPHZ-BLLLJJGKSA-N 2 2 321.377 1.524 20 5 DDBDLP COc1ccc(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000872154074 707307752 /nfs/dbraw/zinc/30/77/52/707307752.db2.gz SVHZLAQKSMJPHZ-BLLLJJGKSA-N 2 2 321.377 1.524 20 5 DDBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCOCC1 ZINC000903807674 711286725 /nfs/dbraw/zinc/28/67/25/711286725.db2.gz OIHAVTQUIFHOBA-UHFFFAOYSA-N 2 2 309.366 1.413 20 5 DDBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCOCC1 ZINC000903807674 711286727 /nfs/dbraw/zinc/28/67/27/711286727.db2.gz OIHAVTQUIFHOBA-UHFFFAOYSA-N 2 2 309.366 1.413 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000904420853 711855977 /nfs/dbraw/zinc/85/59/77/711855977.db2.gz INWZUTFEXUDQEM-WCQYABFASA-N 2 2 321.377 1.653 20 5 DDBDLP COc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000904420853 711855978 /nfs/dbraw/zinc/85/59/78/711855978.db2.gz INWZUTFEXUDQEM-WCQYABFASA-N 2 2 321.377 1.653 20 5 DDBDLP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923416191 714348878 /nfs/dbraw/zinc/34/88/78/714348878.db2.gz UHAWMXRHEURWJW-CQSZACIVSA-N 2 2 323.393 1.408 20 5 DDBDLP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923416191 714348883 /nfs/dbraw/zinc/34/88/83/714348883.db2.gz UHAWMXRHEURWJW-CQSZACIVSA-N 2 2 323.393 1.408 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001169074789 762222221 /nfs/dbraw/zinc/22/22/21/762222221.db2.gz OCHHIOLBZCIAAY-SNVBAGLBSA-N 2 2 313.317 1.191 20 5 DDBDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265841 873676060 /nfs/dbraw/zinc/67/60/60/873676060.db2.gz XPHGRYSRTIXPAN-HIFRSBDPSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265841 873676062 /nfs/dbraw/zinc/67/60/62/873676062.db2.gz XPHGRYSRTIXPAN-HIFRSBDPSA-N 2 2 323.393 1.266 20 5 DDBDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985270 529809736 /nfs/dbraw/zinc/80/97/36/529809736.db2.gz TZOSZQQBOBTPFZ-CVEARBPZSA-N 2 2 305.378 1.628 20 5 DDBDLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985270 529809737 /nfs/dbraw/zinc/80/97/37/529809737.db2.gz TZOSZQQBOBTPFZ-CVEARBPZSA-N 2 2 305.378 1.628 20 5 DDBDLP CN(CC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000080400980 192154798 /nfs/dbraw/zinc/15/47/98/192154798.db2.gz ZJONWBUPUAIGKZ-UHFFFAOYSA-N 2 2 317.349 1.414 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432681 355581975 /nfs/dbraw/zinc/58/19/75/355581975.db2.gz LHMBCPQMOYXWDC-OAHLLOKOSA-N 2 2 307.350 1.537 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432681 355581980 /nfs/dbraw/zinc/58/19/80/355581980.db2.gz LHMBCPQMOYXWDC-OAHLLOKOSA-N 2 2 307.350 1.537 20 5 DDBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593906632 356052367 /nfs/dbraw/zinc/05/23/67/356052367.db2.gz KXQYJPCDMFCVTE-HNNXBMFYSA-N 2 2 320.393 1.365 20 5 DDBDLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595910643 356701641 /nfs/dbraw/zinc/70/16/41/356701641.db2.gz QCZRAKYYJPCFBO-UHFFFAOYSA-N 2 2 304.350 1.347 20 5 DDBDLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595910643 356701642 /nfs/dbraw/zinc/70/16/42/356701642.db2.gz QCZRAKYYJPCFBO-UHFFFAOYSA-N 2 2 304.350 1.347 20 5 DDBDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600772839 358312225 /nfs/dbraw/zinc/31/22/25/358312225.db2.gz JZEADEGOACYJPF-XHDPSFHLSA-N 2 2 315.377 1.835 20 5 DDBDLP C[N@@H+]1CCOC[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601203505 358445878 /nfs/dbraw/zinc/44/58/78/358445878.db2.gz RRNBGNZLDLWQAH-LBPRGKRZSA-N 2 2 302.334 1.307 20 5 DDBDLP C[N@H+]1CCOC[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601203505 358445883 /nfs/dbraw/zinc/44/58/83/358445883.db2.gz RRNBGNZLDLWQAH-LBPRGKRZSA-N 2 2 302.334 1.307 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000602783083 359189387 /nfs/dbraw/zinc/18/93/87/359189387.db2.gz YDCBRRBMEYHDEW-UHFFFAOYSA-N 2 2 304.354 1.633 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351479211 284332057 /nfs/dbraw/zinc/33/20/57/284332057.db2.gz QQARQOSUXSUHMY-RWMBFGLXSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351479211 284332059 /nfs/dbraw/zinc/33/20/59/284332059.db2.gz QQARQOSUXSUHMY-RWMBFGLXSA-N 2 2 318.377 1.511 20 5 DDBDLP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000237176228 407804208 /nfs/dbraw/zinc/80/42/08/407804208.db2.gz OQDKVVORJKOMPF-CYBMUJFWSA-N 2 2 309.366 1.150 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029340 418569256 /nfs/dbraw/zinc/56/92/56/418569256.db2.gz AOUGICQIIVVVPA-GFCCVEGCSA-N 2 2 305.382 1.570 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029340 418569257 /nfs/dbraw/zinc/56/92/57/418569257.db2.gz AOUGICQIIVVVPA-GFCCVEGCSA-N 2 2 305.382 1.570 20 5 DDBDLP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)C[NH3+] ZINC000415055065 419925019 /nfs/dbraw/zinc/92/50/19/419925019.db2.gz MFXYOYPRZDCNKE-LLVKDONJSA-N 2 2 305.334 1.606 20 5 DDBDLP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)C[NH3+] ZINC000415055065 419925024 /nfs/dbraw/zinc/92/50/24/419925024.db2.gz MFXYOYPRZDCNKE-LLVKDONJSA-N 2 2 305.334 1.606 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420293665 420187090 /nfs/dbraw/zinc/18/70/90/420187090.db2.gz ROGZOCVIYXAGRO-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420293665 420187093 /nfs/dbraw/zinc/18/70/93/420187093.db2.gz ROGZOCVIYXAGRO-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420377080 420248488 /nfs/dbraw/zinc/24/84/88/420248488.db2.gz KPRMGLODOSQQII-DGCLKSJQSA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420377080 420248491 /nfs/dbraw/zinc/24/84/91/420248491.db2.gz KPRMGLODOSQQII-DGCLKSJQSA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000580880963 421853781 /nfs/dbraw/zinc/85/37/81/421853781.db2.gz IPJOMTUQOKRROJ-GFCCVEGCSA-N 2 2 307.354 1.010 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417350816 533689880 /nfs/dbraw/zinc/68/98/80/533689880.db2.gz AIFALQDRAQKMQT-GFCCVEGCSA-N 2 2 320.393 1.996 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]CCCCn3cc[nH+]c3)C2)c1 ZINC000876958981 705938792 /nfs/dbraw/zinc/93/87/92/705938792.db2.gz MSTZBHQBTGKCRH-UHFFFAOYSA-N 2 2 304.354 1.761 20 5 DDBDLP COc1cc(C)c([N+](=O)[O-])cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736889 748479126 /nfs/dbraw/zinc/47/91/26/748479126.db2.gz MDSXDSAJFDVDAG-UHFFFAOYSA-N 2 2 307.354 1.506 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001158203919 864486559 /nfs/dbraw/zinc/48/65/59/864486559.db2.gz JNJZSDXWAIWFGH-LLVKDONJSA-N 2 2 313.317 1.191 20 5 DDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595484441 356512843 /nfs/dbraw/zinc/51/28/43/356512843.db2.gz LCKAYEZTTVMDEM-OAHLLOKOSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595484441 356512846 /nfs/dbraw/zinc/51/28/46/356512846.db2.gz LCKAYEZTTVMDEM-OAHLLOKOSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595484441 356512848 /nfs/dbraw/zinc/51/28/48/356512848.db2.gz LCKAYEZTTVMDEM-OAHLLOKOSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595484441 356512850 /nfs/dbraw/zinc/51/28/50/356512850.db2.gz LCKAYEZTTVMDEM-OAHLLOKOSA-N 2 2 309.410 1.770 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596425171 356875069 /nfs/dbraw/zinc/87/50/69/356875069.db2.gz OBRFHEVDSWDNQJ-UHFFFAOYSA-N 2 2 315.805 1.361 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596425171 356875074 /nfs/dbraw/zinc/87/50/74/356875074.db2.gz OBRFHEVDSWDNQJ-UHFFFAOYSA-N 2 2 315.805 1.361 20 5 DDBDLP COc1ccc(OCC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681748 357685515 /nfs/dbraw/zinc/68/55/15/357685515.db2.gz JIJPDRJQEQHHBW-MLGOLLRUSA-N 2 2 321.377 1.795 20 5 DDBDLP COc1ccc(OCC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681748 357685520 /nfs/dbraw/zinc/68/55/20/357685520.db2.gz JIJPDRJQEQHHBW-MLGOLLRUSA-N 2 2 321.377 1.795 20 5 DDBDLP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC([NH2+]CCO)CC1 ZINC000599065083 357805937 /nfs/dbraw/zinc/80/59/37/357805937.db2.gz MZFZBQJJWQBCFR-UHFFFAOYSA-N 2 2 316.361 1.694 20 5 DDBDLP C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1n1cc[nH+]c1 ZINC000245563806 408017172 /nfs/dbraw/zinc/01/71/72/408017172.db2.gz DBNCRLPUSOSBBL-QWHCGFSZSA-N 2 2 304.354 1.571 20 5 DDBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423196833 227397157 /nfs/dbraw/zinc/39/71/57/227397157.db2.gz WMJYGMKBVKOEIQ-UKRRQHHQSA-N 2 2 315.377 1.759 20 5 DDBDLP CC[NH2+]CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423236596 419992596 /nfs/dbraw/zinc/99/25/96/419992596.db2.gz OLJRFXUAGDKBHT-AWEZNQCLSA-N 2 2 303.366 1.617 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430595452 420151403 /nfs/dbraw/zinc/15/14/03/420151403.db2.gz XZDHWNWLHNOCTK-HNNXBMFYSA-N 2 2 308.382 1.805 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420369697 420241864 /nfs/dbraw/zinc/24/18/64/420241864.db2.gz OKQWMVCZHKBAPI-JUFZMCDQSA-N 2 2 320.393 1.898 20 5 DDBDLP C[C@@H]([NH3+])C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367651 278308983 /nfs/dbraw/zinc/30/89/83/278308983.db2.gz HHQBTQLWHPKGAC-LLVKDONJSA-N 2 2 318.381 1.330 20 5 DDBDLP C[C@@H]([NH3+])C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367651 278308985 /nfs/dbraw/zinc/30/89/85/278308985.db2.gz HHQBTQLWHPKGAC-LLVKDONJSA-N 2 2 318.381 1.330 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000374422490 307208176 /nfs/dbraw/zinc/20/81/76/307208176.db2.gz KDFYPZOKTPIHFU-JTQLQIEISA-N 2 2 311.411 1.632 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000374422490 307208177 /nfs/dbraw/zinc/20/81/77/307208177.db2.gz KDFYPZOKTPIHFU-JTQLQIEISA-N 2 2 311.411 1.632 20 5 DDBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004174 705955775 /nfs/dbraw/zinc/95/57/75/705955775.db2.gz HZYNLLRDZLKVNG-ROKHWSDSSA-N 2 2 323.397 1.195 20 5 DDBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004174 705955777 /nfs/dbraw/zinc/95/57/77/705955777.db2.gz HZYNLLRDZLKVNG-ROKHWSDSSA-N 2 2 323.397 1.195 20 5 DDBDLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883449209 708004888 /nfs/dbraw/zinc/00/48/88/708004888.db2.gz FAUFUXAQMPCLAS-OAHLLOKOSA-N 2 2 320.393 1.997 20 5 DDBDLP C[NH2+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000883449209 708004889 /nfs/dbraw/zinc/00/48/89/708004889.db2.gz FAUFUXAQMPCLAS-OAHLLOKOSA-N 2 2 320.393 1.997 20 5 DDBDLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000903955165 711347102 /nfs/dbraw/zinc/34/71/02/711347102.db2.gz LUGWZZIQGKCJEO-NSHDSACASA-N 2 2 315.320 1.938 20 5 DDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177895 714279812 /nfs/dbraw/zinc/27/98/12/714279812.db2.gz GBXMZLOQTJFXNC-DOMZBBRYSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177895 714279815 /nfs/dbraw/zinc/27/98/15/714279815.db2.gz GBXMZLOQTJFXNC-DOMZBBRYSA-N 2 2 311.382 1.185 20 5 DDBDLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126431278 740079066 /nfs/dbraw/zinc/07/90/66/740079066.db2.gz FRSUTMCRDFLSFW-UHFFFAOYSA-N 2 2 323.378 1.218 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC001181054035 743037445 /nfs/dbraw/zinc/03/74/45/743037445.db2.gz DWXVUIWBILJFLV-NSHDSACASA-N 2 2 318.333 1.610 20 5 DDBDLP Cc1cc(Cl)nc(NCC[NH+]2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001161867540 867047490 /nfs/dbraw/zinc/04/74/90/867047490.db2.gz JDSWORANTGJXPU-UHFFFAOYSA-N 2 2 313.789 1.787 20 5 DDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997795 869250987 /nfs/dbraw/zinc/25/09/87/869250987.db2.gz MNKJEBAZDVZZEZ-GJZGRUSLSA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997795 869250999 /nfs/dbraw/zinc/25/09/99/869250999.db2.gz MNKJEBAZDVZZEZ-GJZGRUSLSA-N 2 2 323.393 1.408 20 5 DDBDLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553537 870042994 /nfs/dbraw/zinc/04/29/94/870042994.db2.gz XUEVENUQZRSYCN-RRFJBIMHSA-N 2 2 307.394 1.947 20 5 DDBDLP C[NH2+][C@@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001261461218 899582463 /nfs/dbraw/zinc/58/24/63/899582463.db2.gz DOHGHDOJUWIUJE-NSHDSACASA-N 2 2 317.349 1.508 20 5 DDBDLP C[NH+]1CCC([N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000434992502 530049633 /nfs/dbraw/zinc/04/96/33/530049633.db2.gz TUDIOUNKUGJGPZ-XQRVVYSFSA-N 2 2 319.405 1.997 20 5 DDBDLP C[NH+]1CCC([N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000434992502 530049634 /nfs/dbraw/zinc/04/96/34/530049634.db2.gz TUDIOUNKUGJGPZ-XQRVVYSFSA-N 2 2 319.405 1.997 20 5 DDBDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279356 355276869 /nfs/dbraw/zinc/27/68/69/355276869.db2.gz MUIZNVXEDLUKHB-JQWIXIFHSA-N 2 2 307.350 1.454 20 5 DDBDLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000591278409 355277108 /nfs/dbraw/zinc/27/71/08/355277108.db2.gz ZEJUKCQGVSCWFB-CMPLNLGQSA-N 2 2 307.350 1.596 20 5 DDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969923 356076897 /nfs/dbraw/zinc/07/68/97/356076897.db2.gz GNYIHCASRJFJJM-STQMWFEESA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969923 356076899 /nfs/dbraw/zinc/07/68/99/356076899.db2.gz GNYIHCASRJFJJM-STQMWFEESA-N 2 2 311.382 1.185 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087878 357811114 /nfs/dbraw/zinc/81/11/14/357811114.db2.gz NBKUJHWAJQTXOG-MJBXVCDLSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087878 357811116 /nfs/dbraw/zinc/81/11/16/357811116.db2.gz NBKUJHWAJQTXOG-MJBXVCDLSA-N 2 2 307.398 1.959 20 5 DDBDLP C[NH2+]CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600771772 358311460 /nfs/dbraw/zinc/31/14/60/358311460.db2.gz BBBDXECSZRTEHE-UHFFFAOYSA-N 2 2 301.774 1.916 20 5 DDBDLP C[NH2+]CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000600771772 358311462 /nfs/dbraw/zinc/31/14/62/358311462.db2.gz BBBDXECSZRTEHE-UHFFFAOYSA-N 2 2 301.774 1.916 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000565842898 304097854 /nfs/dbraw/zinc/09/78/54/304097854.db2.gz IJVCRTVLODCGHU-UHFFFAOYSA-N 2 2 307.394 1.840 20 5 DDBDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961856 207125917 /nfs/dbraw/zinc/12/59/17/207125917.db2.gz XKTLGIHFIJXNHL-CVEARBPZSA-N 2 2 306.410 1.881 20 5 DDBDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961856 207125923 /nfs/dbraw/zinc/12/59/23/207125923.db2.gz XKTLGIHFIJXNHL-CVEARBPZSA-N 2 2 306.410 1.881 20 5 DDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352700049 285238197 /nfs/dbraw/zinc/23/81/97/285238197.db2.gz KVOJUDBZFVGWHH-OICCZTGUSA-N 2 2 316.405 1.588 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000261737263 407596128 /nfs/dbraw/zinc/59/61/28/407596128.db2.gz KGBZRJCVUXHPOL-MRXNPFEDSA-N 2 2 318.377 1.155 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000261737263 407596129 /nfs/dbraw/zinc/59/61/29/407596129.db2.gz KGBZRJCVUXHPOL-MRXNPFEDSA-N 2 2 318.377 1.155 20 5 DDBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000317235087 164026713 /nfs/dbraw/zinc/02/67/13/164026713.db2.gz LPHZAZLYIZTORW-GFCCVEGCSA-N 2 2 308.382 1.839 20 5 DDBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000317235087 164026716 /nfs/dbraw/zinc/02/67/16/164026716.db2.gz LPHZAZLYIZTORW-GFCCVEGCSA-N 2 2 308.382 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571445 164150020 /nfs/dbraw/zinc/15/00/20/164150020.db2.gz UULXMJRDEWEVHJ-BLLLJJGKSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571445 164150021 /nfs/dbraw/zinc/15/00/21/164150021.db2.gz UULXMJRDEWEVHJ-BLLLJJGKSA-N 2 2 318.377 1.607 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346066249 409753963 /nfs/dbraw/zinc/75/39/63/409753963.db2.gz LFFYBQHXJXNXHQ-LBPRGKRZSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346066249 409753969 /nfs/dbraw/zinc/75/39/69/409753969.db2.gz LFFYBQHXJXNXHQ-LBPRGKRZSA-N 2 2 306.366 1.655 20 5 DDBDLP CC(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358171263 410393490 /nfs/dbraw/zinc/39/34/90/410393490.db2.gz SALFKUPAKSHJIU-INIZCTEOSA-N 2 2 307.394 1.874 20 5 DDBDLP CC(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358171263 410393493 /nfs/dbraw/zinc/39/34/93/410393493.db2.gz SALFKUPAKSHJIU-INIZCTEOSA-N 2 2 307.394 1.874 20 5 DDBDLP COC(=O)COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414872369 419852949 /nfs/dbraw/zinc/85/29/49/419852949.db2.gz FVHQPLNZENBVLY-UHFFFAOYSA-N 2 2 323.349 1.118 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597214 420151347 /nfs/dbraw/zinc/15/13/47/420151347.db2.gz QCILIPQIUMDNQH-OLZOCXBDSA-N 2 2 320.393 1.617 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597214 420151349 /nfs/dbraw/zinc/15/13/49/420151349.db2.gz QCILIPQIUMDNQH-OLZOCXBDSA-N 2 2 320.393 1.617 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442767507 420711177 /nfs/dbraw/zinc/71/11/77/420711177.db2.gz RASQXNCCOZMIMB-WOPDTQHZSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442767507 420711179 /nfs/dbraw/zinc/71/11/79/420711179.db2.gz RASQXNCCOZMIMB-WOPDTQHZSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385832 421002351 /nfs/dbraw/zinc/00/23/51/421002351.db2.gz GVKNBPFMVLSPEX-GDBMZVCRSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385832 421002355 /nfs/dbraw/zinc/00/23/55/421002355.db2.gz GVKNBPFMVLSPEX-GDBMZVCRSA-N 2 2 321.421 1.962 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377642080 307275390 /nfs/dbraw/zinc/27/53/90/307275390.db2.gz ATLWESPPBDKBTQ-LLVKDONJSA-N 2 2 304.354 1.219 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377642080 307275391 /nfs/dbraw/zinc/27/53/91/307275391.db2.gz ATLWESPPBDKBTQ-LLVKDONJSA-N 2 2 304.354 1.219 20 5 DDBDLP COc1ccc(OCC[NH2+][C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000903471870 711137549 /nfs/dbraw/zinc/13/75/49/711137549.db2.gz VIIVXGTYRBPEDO-HNNXBMFYSA-N 2 2 321.377 1.856 20 5 DDBDLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218902 777050380 /nfs/dbraw/zinc/05/03/80/777050380.db2.gz SSTWJTCJBHHGSO-DOMZBBRYSA-N 2 2 323.393 1.786 20 5 DDBDLP C[C@@H]1CC[N@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493461 870011465 /nfs/dbraw/zinc/01/14/65/870011465.db2.gz ZTDOGKHZGBKAJG-CYBMUJFWSA-N 2 2 320.393 1.855 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493461 870011478 /nfs/dbraw/zinc/01/14/78/870011478.db2.gz ZTDOGKHZGBKAJG-CYBMUJFWSA-N 2 2 320.393 1.855 20 5 DDBDLP [NH3+]C1(C(=O)Nc2cc3cccnc3c3ncccc23)CC[NH2+]CC1 ZINC001218980418 877850671 /nfs/dbraw/zinc/85/06/71/877850671.db2.gz XUSSHIOJWZOMNY-UHFFFAOYSA-N 2 2 321.384 1.802 20 5 DDBDLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218980182 877851605 /nfs/dbraw/zinc/85/16/05/877851605.db2.gz VQGCPAUGKASTMW-RISCZKNCSA-N 2 2 307.357 1.411 20 5 DDBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000591278410 355276881 /nfs/dbraw/zinc/27/68/81/355276881.db2.gz ZEJUKCQGVSCWFB-JQWIXIFHSA-N 2 2 307.350 1.596 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592426826 355579307 /nfs/dbraw/zinc/57/93/07/355579307.db2.gz SUAYUJKPCWSVOR-LBPRGKRZSA-N 2 2 321.377 1.797 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592426826 355579309 /nfs/dbraw/zinc/57/93/09/355579309.db2.gz SUAYUJKPCWSVOR-LBPRGKRZSA-N 2 2 321.377 1.797 20 5 DDBDLP COc1ccc(OCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000601328772 358500218 /nfs/dbraw/zinc/50/02/18/358500218.db2.gz YRHONKPJRZOFDL-WBMJQRKESA-N 2 2 321.377 1.714 20 5 DDBDLP Cc1noc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000595344995 356457407 /nfs/dbraw/zinc/45/74/07/356457407.db2.gz BNEIZMWVOWDVKF-UHFFFAOYSA-N 2 2 303.322 1.608 20 5 DDBDLP O=[N+]([O-])c1c(NCC[N@H+]2CC[C@H](O)C2)ccc2c[nH+]ccc21 ZINC000599198914 357847970 /nfs/dbraw/zinc/84/79/70/357847970.db2.gz ATFBQXVQPDLBNZ-LBPRGKRZSA-N 2 2 302.334 1.622 20 5 DDBDLP O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@H](O)C2)ccc2c[nH+]ccc21 ZINC000599198914 357847971 /nfs/dbraw/zinc/84/79/71/357847971.db2.gz ATFBQXVQPDLBNZ-LBPRGKRZSA-N 2 2 302.334 1.622 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000602020449 358779511 /nfs/dbraw/zinc/77/95/11/358779511.db2.gz LEAAJRCUNYXXIX-ZYHUDNBSSA-N 2 2 307.350 1.393 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000602020449 358779513 /nfs/dbraw/zinc/77/95/13/358779513.db2.gz LEAAJRCUNYXXIX-ZYHUDNBSSA-N 2 2 307.350 1.393 20 5 DDBDLP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602476975 359004273 /nfs/dbraw/zinc/00/42/73/359004273.db2.gz HZXOIZQTYRGOSI-CQSZACIVSA-N 2 2 307.398 1.779 20 5 DDBDLP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602476975 359004277 /nfs/dbraw/zinc/00/42/77/359004277.db2.gz HZXOIZQTYRGOSI-CQSZACIVSA-N 2 2 307.398 1.779 20 5 DDBDLP Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000602488146 359012306 /nfs/dbraw/zinc/01/23/06/359012306.db2.gz SKAOFMDZLPETNX-MCIONIFRSA-N 2 2 323.397 1.012 20 5 DDBDLP Cn1cc(C[N@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000602488146 359012309 /nfs/dbraw/zinc/01/23/09/359012309.db2.gz SKAOFMDZLPETNX-MCIONIFRSA-N 2 2 323.397 1.012 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000602796688 359197426 /nfs/dbraw/zinc/19/74/26/359197426.db2.gz RQBIHTCYCTVGNH-LBPRGKRZSA-N 2 2 304.354 1.323 20 5 DDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989708 359341925 /nfs/dbraw/zinc/34/19/25/359341925.db2.gz ZZPDNXDYWNKYMS-ZDUSSCGKSA-N 2 2 320.393 1.362 20 5 DDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989708 359341927 /nfs/dbraw/zinc/34/19/27/359341927.db2.gz ZZPDNXDYWNKYMS-ZDUSSCGKSA-N 2 2 320.393 1.362 20 5 DDBDLP CC(C)[C@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269255034 207394374 /nfs/dbraw/zinc/39/43/74/207394374.db2.gz HJSDDXDKVMDSEX-GFCCVEGCSA-N 2 2 317.349 1.494 20 5 DDBDLP COC(=O)COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000414779481 533555818 /nfs/dbraw/zinc/55/58/18/533555818.db2.gz RIWAZNYBLROWJT-UHFFFAOYSA-N 2 2 323.349 1.068 20 5 DDBDLP COC(=O)COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000414779481 533555820 /nfs/dbraw/zinc/55/58/20/533555820.db2.gz RIWAZNYBLROWJT-UHFFFAOYSA-N 2 2 323.349 1.068 20 5 DDBDLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629457 408368253 /nfs/dbraw/zinc/36/82/53/408368253.db2.gz FAGUJVBMSMTZCX-CZUORRHYSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629457 408368260 /nfs/dbraw/zinc/36/82/60/408368260.db2.gz FAGUJVBMSMTZCX-CZUORRHYSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629457 408368266 /nfs/dbraw/zinc/36/82/66/408368266.db2.gz FAGUJVBMSMTZCX-CZUORRHYSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629457 408368272 /nfs/dbraw/zinc/36/82/72/408368272.db2.gz FAGUJVBMSMTZCX-CZUORRHYSA-N 2 2 307.394 1.902 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000357092309 409865454 /nfs/dbraw/zinc/86/54/54/409865454.db2.gz ULSOGNAPAMZSAT-MNOVXSKESA-N 2 2 302.334 1.777 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000357092309 409865467 /nfs/dbraw/zinc/86/54/67/409865467.db2.gz ULSOGNAPAMZSAT-MNOVXSKESA-N 2 2 302.334 1.777 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857646 410293089 /nfs/dbraw/zinc/29/30/89/410293089.db2.gz YBZKNPDZOGMOPK-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857646 410293098 /nfs/dbraw/zinc/29/30/98/410293098.db2.gz YBZKNPDZOGMOPK-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643311 420169101 /nfs/dbraw/zinc/16/91/01/420169101.db2.gz XACJAMWTXDPJDH-STQMWFEESA-N 2 2 320.393 1.853 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643311 420169107 /nfs/dbraw/zinc/16/91/07/420169107.db2.gz XACJAMWTXDPJDH-STQMWFEESA-N 2 2 320.393 1.853 20 5 DDBDLP C[NH+](C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808305 420804364 /nfs/dbraw/zinc/80/43/64/420804364.db2.gz WGAUVBRLMZXLQE-UHFFFAOYSA-N 2 2 308.382 1.401 20 5 DDBDLP O=C(NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450204634 421162863 /nfs/dbraw/zinc/16/28/63/421162863.db2.gz VPNNBSFIYSLHEB-UHFFFAOYSA-N 2 2 315.333 1.216 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272479928 289117232 /nfs/dbraw/zinc/11/72/32/289117232.db2.gz BYOPEGOBYXEFSE-OAHLLOKOSA-N 2 2 317.393 1.959 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946608 698446758 /nfs/dbraw/zinc/44/67/58/698446758.db2.gz MJVFCLJORCZAHF-CMPLNLGQSA-N 2 2 306.366 1.253 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946608 698446760 /nfs/dbraw/zinc/44/67/60/698446760.db2.gz MJVFCLJORCZAHF-CMPLNLGQSA-N 2 2 306.366 1.253 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000843062696 702811202 /nfs/dbraw/zinc/81/12/02/702811202.db2.gz RERBHLNKBIXNKW-HOTGVXAUSA-N 2 2 323.393 1.065 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963695 711349579 /nfs/dbraw/zinc/34/95/79/711349579.db2.gz GBXORPGLDZZDFR-JTNHKYCSSA-N 2 2 306.366 1.509 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001169067368 762217688 /nfs/dbraw/zinc/21/76/88/762217688.db2.gz QZXFRYSZSQXPPK-SNVBAGLBSA-N 2 2 313.317 1.191 20 5 DDBDLP Cc1ccnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158258769 864520796 /nfs/dbraw/zinc/52/07/96/864520796.db2.gz ITEVAGZXPNYONF-GFCCVEGCSA-N 2 2 305.382 1.300 20 5 DDBDLP Cc1ccnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158258769 864520798 /nfs/dbraw/zinc/52/07/98/864520798.db2.gz ITEVAGZXPNYONF-GFCCVEGCSA-N 2 2 305.382 1.300 20 5 DDBDLP C[NH+](C)/C=C/c1cc(N2CC3(C2)C[NH+](C)C3)ncc1[N+](=O)[O-] ZINC001158866306 864947683 /nfs/dbraw/zinc/94/76/83/864947683.db2.gz OLJBEIKEIHWZSF-SNAWJCMRSA-N 2 2 303.366 1.274 20 5 DDBDLP CC(C)[N@H+](C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356585864 879116776 /nfs/dbraw/zinc/11/67/76/879116776.db2.gz WMJAWAIQEGNRID-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP CC(C)[N@@H+](C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356585864 879116783 /nfs/dbraw/zinc/11/67/83/879116783.db2.gz WMJAWAIQEGNRID-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001254550841 896498826 /nfs/dbraw/zinc/49/88/26/896498826.db2.gz SBBFXIDDHOCIAD-ZDUSSCGKSA-N 2 2 307.394 1.572 20 5 DDBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000172198101 198056328 /nfs/dbraw/zinc/05/63/28/198056328.db2.gz XDNJVRNIWIKEPA-GFCCVEGCSA-N 2 2 321.377 1.845 20 5 DDBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000172198101 198056329 /nfs/dbraw/zinc/05/63/29/198056329.db2.gz XDNJVRNIWIKEPA-GFCCVEGCSA-N 2 2 321.377 1.845 20 5 DDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC000591579929 355330431 /nfs/dbraw/zinc/33/04/31/355330431.db2.gz ABDSFLNUEPOZJV-ZDEQEGDKSA-N 2 2 311.361 1.565 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCC[NH+]3CCOCC3)c2c1 ZINC000601098931 358401722 /nfs/dbraw/zinc/40/17/22/358401722.db2.gz KPSFQJCHODLTAV-UHFFFAOYSA-N 2 2 302.334 1.309 20 5 DDBDLP COc1ccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359271173 299388766 /nfs/dbraw/zinc/38/87/66/299388766.db2.gz GBSBOVFEJOHBQC-TXEJJXNPSA-N 2 2 307.350 1.133 20 5 DDBDLP COc1ccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359271173 299388769 /nfs/dbraw/zinc/38/87/69/299388769.db2.gz GBSBOVFEJOHBQC-TXEJJXNPSA-N 2 2 307.350 1.133 20 5 DDBDLP CN(C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000261685413 407577474 /nfs/dbraw/zinc/57/74/74/407577474.db2.gz KGMMUJNXRGNMNV-HNNXBMFYSA-N 2 2 306.366 1.228 20 5 DDBDLP CN(C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000261685413 407577478 /nfs/dbraw/zinc/57/74/78/407577478.db2.gz KGMMUJNXRGNMNV-HNNXBMFYSA-N 2 2 306.366 1.228 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737540 407596300 /nfs/dbraw/zinc/59/63/00/407596300.db2.gz OWNJBAIEDSUWDC-MLGOLLRUSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737540 407596301 /nfs/dbraw/zinc/59/63/01/407596301.db2.gz OWNJBAIEDSUWDC-MLGOLLRUSA-N 2 2 320.393 1.901 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647657 410056742 /nfs/dbraw/zinc/05/67/42/410056742.db2.gz BAFCOBNHKBBAFT-MNOVXSKESA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647657 410056748 /nfs/dbraw/zinc/05/67/48/410056748.db2.gz BAFCOBNHKBBAFT-MNOVXSKESA-N 2 2 309.366 1.781 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430934219 420213914 /nfs/dbraw/zinc/21/39/14/420213914.db2.gz NXIKXLGZXGROEQ-NSHDSACASA-N 2 2 317.349 1.686 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430934219 420213917 /nfs/dbraw/zinc/21/39/17/420213917.db2.gz NXIKXLGZXGROEQ-NSHDSACASA-N 2 2 317.349 1.686 20 5 DDBDLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430611865 420158330 /nfs/dbraw/zinc/15/83/30/420158330.db2.gz PWFSUUUXGJHTQE-GFCCVEGCSA-N 2 2 306.366 1.526 20 5 DDBDLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430611865 420158335 /nfs/dbraw/zinc/15/83/35/420158335.db2.gz PWFSUUUXGJHTQE-GFCCVEGCSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420355085 420231152 /nfs/dbraw/zinc/23/11/52/420231152.db2.gz BPRQNIUIOMRJMX-BFQNTYOBSA-N 2 2 320.393 1.818 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420366983 420241974 /nfs/dbraw/zinc/24/19/74/420241974.db2.gz RSPOTDYPNVWOJG-ZDUSSCGKSA-N 2 2 324.381 1.505 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420377078 420248251 /nfs/dbraw/zinc/24/82/51/420248251.db2.gz KPRMGLODOSQQII-AAEUAGOBSA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420377078 420248256 /nfs/dbraw/zinc/24/82/56/420248256.db2.gz KPRMGLODOSQQII-AAEUAGOBSA-N 2 2 320.393 1.758 20 5 DDBDLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000571577281 421727534 /nfs/dbraw/zinc/72/75/34/421727534.db2.gz JTEHJVNBWYISEM-ZDUSSCGKSA-N 2 2 309.366 1.148 20 5 DDBDLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000571577281 421727536 /nfs/dbraw/zinc/72/75/36/421727536.db2.gz JTEHJVNBWYISEM-ZDUSSCGKSA-N 2 2 309.366 1.148 20 5 DDBDLP NC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420356960 302383961 /nfs/dbraw/zinc/38/39/61/302383961.db2.gz HHWJJRGDCZHBIH-CQSZACIVSA-N 2 2 320.393 1.691 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536609389 303365680 /nfs/dbraw/zinc/36/56/80/303365680.db2.gz ACOKVILHAYUQHL-CQSZACIVSA-N 2 2 319.409 1.596 20 5 DDBDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536609389 303365682 /nfs/dbraw/zinc/36/56/82/303365682.db2.gz ACOKVILHAYUQHL-CQSZACIVSA-N 2 2 319.409 1.596 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367518652 307096256 /nfs/dbraw/zinc/09/62/56/307096256.db2.gz NNYVOGQRNITPNH-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367518652 307096257 /nfs/dbraw/zinc/09/62/57/307096257.db2.gz NNYVOGQRNITPNH-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535026853 307651980 /nfs/dbraw/zinc/65/19/80/307651980.db2.gz SOXNRBPMLUQGSC-UHFFFAOYSA-N 2 2 316.365 1.317 20 5 DDBDLP C[N@@H+]1C[C@]2(C)C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000931311826 714062652 /nfs/dbraw/zinc/06/26/52/714062652.db2.gz PQEPZGCCPZGLNW-IYBDPMFKSA-N 2 2 320.393 1.030 20 5 DDBDLP C[N@H+]1C[C@]2(C)C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000931311826 714062654 /nfs/dbraw/zinc/06/26/54/714062654.db2.gz PQEPZGCCPZGLNW-IYBDPMFKSA-N 2 2 320.393 1.030 20 5 DDBDLP C[NH+]1C[C@]2(C)C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000931311826 714062655 /nfs/dbraw/zinc/06/26/55/714062655.db2.gz PQEPZGCCPZGLNW-IYBDPMFKSA-N 2 2 320.393 1.030 20 5 DDBDLP C[NH+]1C[C@]2(C)C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000931311826 714062658 /nfs/dbraw/zinc/06/26/58/714062658.db2.gz PQEPZGCCPZGLNW-IYBDPMFKSA-N 2 2 320.393 1.030 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785347 714934809 /nfs/dbraw/zinc/93/48/09/714934809.db2.gz KRNQHBUMNHTCSQ-JTNHKYCSSA-N 2 2 306.366 1.509 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001157914556 864253669 /nfs/dbraw/zinc/25/36/69/864253669.db2.gz AMOXYYZROJTLCT-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922195 892988497 /nfs/dbraw/zinc/98/84/97/892988497.db2.gz UTQRHQJNZPOJKC-BLLLJJGKSA-N 2 2 302.378 1.467 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922195 892988503 /nfs/dbraw/zinc/98/85/03/892988503.db2.gz UTQRHQJNZPOJKC-BLLLJJGKSA-N 2 2 302.378 1.467 20 5 DDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599010648 357793650 /nfs/dbraw/zinc/79/36/50/357793650.db2.gz UBESDLMWCICDCP-LRFDDAOPSA-N 2 2 305.378 1.654 20 5 DDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599010648 357793655 /nfs/dbraw/zinc/79/36/55/357793655.db2.gz UBESDLMWCICDCP-LRFDDAOPSA-N 2 2 305.378 1.654 20 5 DDBDLP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599424544 357929923 /nfs/dbraw/zinc/92/99/23/357929923.db2.gz WJJMBQMWFREZRB-UHFFFAOYSA-N 2 2 315.333 1.705 20 5 DDBDLP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599424544 357929925 /nfs/dbraw/zinc/92/99/25/357929925.db2.gz WJJMBQMWFREZRB-UHFFFAOYSA-N 2 2 315.333 1.705 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2c1 ZINC000601142460 358418456 /nfs/dbraw/zinc/41/84/56/358418456.db2.gz RSQXNDFCECBZKB-ZDUSSCGKSA-N 2 2 314.345 1.664 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000601142460 358418459 /nfs/dbraw/zinc/41/84/59/358418459.db2.gz RSQXNDFCECBZKB-ZDUSSCGKSA-N 2 2 314.345 1.664 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484129 359009776 /nfs/dbraw/zinc/00/97/76/359009776.db2.gz HPIFYHOSWNSOLR-IUODEOHRSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484129 359009779 /nfs/dbraw/zinc/00/97/79/359009779.db2.gz HPIFYHOSWNSOLR-IUODEOHRSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484129 359009784 /nfs/dbraw/zinc/00/97/84/359009784.db2.gz HPIFYHOSWNSOLR-IUODEOHRSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484129 359009787 /nfs/dbraw/zinc/00/97/87/359009787.db2.gz HPIFYHOSWNSOLR-IUODEOHRSA-N 2 2 319.409 1.777 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000414786104 224394108 /nfs/dbraw/zinc/39/41/08/224394108.db2.gz UBWFMFNMYGZCOT-ZDUSSCGKSA-N 2 2 323.368 1.921 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000414786104 224394110 /nfs/dbraw/zinc/39/41/10/224394110.db2.gz UBWFMFNMYGZCOT-ZDUSSCGKSA-N 2 2 323.368 1.921 20 5 DDBDLP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000359479103 410682849 /nfs/dbraw/zinc/68/28/49/410682849.db2.gz XRCOXJZFKHCCIY-VXGBXAGGSA-N 2 2 307.350 1.263 20 5 DDBDLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414830574 419831472 /nfs/dbraw/zinc/83/14/72/419831472.db2.gz OYHCOGFRFDAJKX-LLVKDONJSA-N 2 2 309.366 1.701 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091120 419936583 /nfs/dbraw/zinc/93/65/83/419936583.db2.gz BPRLQCBZHQDJDR-IMJJTQAJSA-N 2 2 319.405 1.884 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435617883 420267121 /nfs/dbraw/zinc/26/71/21/420267121.db2.gz QZVLMGKOXVPFRS-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435617883 420267125 /nfs/dbraw/zinc/26/71/25/420267125.db2.gz QZVLMGKOXVPFRS-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765053 420711329 /nfs/dbraw/zinc/71/13/29/420711329.db2.gz ITKCSJFJZJSVFG-IJLUTSLNSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765053 420711331 /nfs/dbraw/zinc/71/13/31/420711331.db2.gz ITKCSJFJZJSVFG-IJLUTSLNSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449398918 421007485 /nfs/dbraw/zinc/00/74/85/421007485.db2.gz WYNKDZYNDPHJBG-GOEBONIOSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449398918 421007489 /nfs/dbraw/zinc/00/74/89/421007489.db2.gz WYNKDZYNDPHJBG-GOEBONIOSA-N 2 2 321.421 1.962 20 5 DDBDLP Cc1c(C[N@@H+](CCO)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000729930874 699495435 /nfs/dbraw/zinc/49/54/35/699495435.db2.gz ZZVJPZOYIVUEIG-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1c(C[N@H+](CCO)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000729930874 699495436 /nfs/dbraw/zinc/49/54/36/699495436.db2.gz ZZVJPZOYIVUEIG-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903814627 711289538 /nfs/dbraw/zinc/28/95/38/711289538.db2.gz OBDXBBQHLNYGHA-UHFFFAOYSA-N 2 2 305.378 1.939 20 5 DDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903814627 711289541 /nfs/dbraw/zinc/28/95/41/711289541.db2.gz OBDXBBQHLNYGHA-UHFFFAOYSA-N 2 2 305.378 1.939 20 5 DDBDLP CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000923288278 714298783 /nfs/dbraw/zinc/29/87/83/714298783.db2.gz ZMPDGZKYQPYBKU-KGLIPLIRSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000923288278 714298785 /nfs/dbraw/zinc/29/87/85/714298785.db2.gz ZMPDGZKYQPYBKU-KGLIPLIRSA-N 2 2 323.393 1.408 20 5 DDBDLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735319 714659092 /nfs/dbraw/zinc/65/90/92/714659092.db2.gz HFXIGNMSBPRNSW-BMFZPTHFSA-N 2 2 305.378 1.512 20 5 DDBDLP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735319 714659095 /nfs/dbraw/zinc/65/90/95/714659095.db2.gz HFXIGNMSBPRNSW-BMFZPTHFSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735319 714659096 /nfs/dbraw/zinc/65/90/96/714659096.db2.gz HFXIGNMSBPRNSW-BMFZPTHFSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735319 714659099 /nfs/dbraw/zinc/65/90/99/714659099.db2.gz HFXIGNMSBPRNSW-BMFZPTHFSA-N 2 2 305.378 1.512 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001184387308 744031166 /nfs/dbraw/zinc/03/11/66/744031166.db2.gz IVUBZHDSDNQJDB-JHJVBQTASA-N 2 2 321.377 1.739 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001184387308 744031172 /nfs/dbraw/zinc/03/11/72/744031172.db2.gz IVUBZHDSDNQJDB-JHJVBQTASA-N 2 2 321.377 1.739 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001169075415 762223688 /nfs/dbraw/zinc/22/36/88/762223688.db2.gz RBQPCWQBJCWWII-SNVBAGLBSA-N 2 2 313.317 1.191 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001158203564 864486922 /nfs/dbraw/zinc/48/69/22/864486922.db2.gz FXNHOSFKCPYQOW-SNVBAGLBSA-N 2 2 313.317 1.191 20 5 DDBDLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249129507 893835408 /nfs/dbraw/zinc/83/54/08/893835408.db2.gz UXOLZWPZLSHCQD-GFCCVEGCSA-N 2 2 320.356 1.662 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147597 355254835 /nfs/dbraw/zinc/25/48/35/355254835.db2.gz STIJRALQIWJLHN-LLVKDONJSA-N 2 2 323.372 1.709 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147597 355254837 /nfs/dbraw/zinc/25/48/37/355254837.db2.gz STIJRALQIWJLHN-LLVKDONJSA-N 2 2 323.372 1.709 20 5 DDBDLP CC1([NH3+])CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000592485009 355596322 /nfs/dbraw/zinc/59/63/22/355596322.db2.gz NFNMMRDEZANSPK-AWEZNQCLSA-N 2 2 318.377 1.513 20 5 DDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969922 356077037 /nfs/dbraw/zinc/07/70/37/356077037.db2.gz GNYIHCASRJFJJM-QWHCGFSZSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969922 356077040 /nfs/dbraw/zinc/07/70/40/356077040.db2.gz GNYIHCASRJFJJM-QWHCGFSZSA-N 2 2 311.382 1.185 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000597990477 357408748 /nfs/dbraw/zinc/40/87/48/357408748.db2.gz WWHCZVSDMQGAJR-UHFFFAOYSA-N 2 2 322.409 1.137 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000597990477 357408751 /nfs/dbraw/zinc/40/87/51/357408751.db2.gz WWHCZVSDMQGAJR-UHFFFAOYSA-N 2 2 322.409 1.137 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000610804206 360541345 /nfs/dbraw/zinc/54/13/45/360541345.db2.gz UAGUUBGAHRGGOF-OCCSQVGLSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000610804206 360541348 /nfs/dbraw/zinc/54/13/48/360541348.db2.gz UAGUUBGAHRGGOF-OCCSQVGLSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000610804205 360541504 /nfs/dbraw/zinc/54/15/04/360541504.db2.gz UAGUUBGAHRGGOF-JSGCOSHPSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000610804205 360541508 /nfs/dbraw/zinc/54/15/08/360541508.db2.gz UAGUUBGAHRGGOF-JSGCOSHPSA-N 2 2 320.393 1.996 20 5 DDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]12 ZINC000351494571 284343275 /nfs/dbraw/zinc/34/32/75/284343275.db2.gz OHHWOTVIOMDMFD-ADEWGFFLSA-N 2 2 302.334 1.905 20 5 DDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]12 ZINC000351494571 284343276 /nfs/dbraw/zinc/34/32/76/284343276.db2.gz OHHWOTVIOMDMFD-ADEWGFFLSA-N 2 2 302.334 1.905 20 5 DDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000579488832 422778809 /nfs/dbraw/zinc/77/88/09/422778809.db2.gz PZZRPGSSMCDUCP-JQWIXIFHSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000579488832 422778813 /nfs/dbraw/zinc/77/88/13/422778813.db2.gz PZZRPGSSMCDUCP-JQWIXIFHSA-N 2 2 317.349 1.956 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423578395 296514185 /nfs/dbraw/zinc/51/41/85/296514185.db2.gz UMOOUDSFUODQGW-GJZGRUSLSA-N 2 2 305.378 1.494 20 5 DDBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673532 410865388 /nfs/dbraw/zinc/86/53/88/410865388.db2.gz HKGPOMFCILMVPH-KGLIPLIRSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673532 410865391 /nfs/dbraw/zinc/86/53/91/410865391.db2.gz HKGPOMFCILMVPH-KGLIPLIRSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1cc(N[C@H](C)[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420273470 226451033 /nfs/dbraw/zinc/45/10/33/226451033.db2.gz XMXFSAUERMZGAD-WDEREUQCSA-N 2 2 301.350 1.930 20 5 DDBDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423380008 420032702 /nfs/dbraw/zinc/03/27/02/420032702.db2.gz MMFQQOGRXHOXDI-VXGBXAGGSA-N 2 2 308.382 1.900 20 5 DDBDLP CN(C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000420372555 420243381 /nfs/dbraw/zinc/24/33/81/420243381.db2.gz YFQXVRBYPUIINK-AWEZNQCLSA-N 2 2 320.393 1.535 20 5 DDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262458937 290266932 /nfs/dbraw/zinc/26/69/32/290266932.db2.gz IKGBQLZRIXXTPR-ZIAGYGMSSA-N 2 2 304.394 1.635 20 5 DDBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576034 701898153 /nfs/dbraw/zinc/89/81/53/701898153.db2.gz HKIVUIJNQFUYRK-IACUBPJLSA-N 2 2 320.393 1.691 20 5 DDBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576034 701898159 /nfs/dbraw/zinc/89/81/59/701898159.db2.gz HKIVUIJNQFUYRK-IACUBPJLSA-N 2 2 320.393 1.691 20 5 DDBDLP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571939 706721934 /nfs/dbraw/zinc/72/19/34/706721934.db2.gz USADZQFHIBHPLU-XJKSGUPXSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571939 706721937 /nfs/dbraw/zinc/72/19/37/706721937.db2.gz USADZQFHIBHPLU-XJKSGUPXSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571939 706721941 /nfs/dbraw/zinc/72/19/41/706721941.db2.gz USADZQFHIBHPLU-XJKSGUPXSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571939 706721945 /nfs/dbraw/zinc/72/19/45/706721945.db2.gz USADZQFHIBHPLU-XJKSGUPXSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572790 706722770 /nfs/dbraw/zinc/72/27/70/706722770.db2.gz RIDSMFZWWURFQI-CJNGLKHVSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572790 706722773 /nfs/dbraw/zinc/72/27/73/706722773.db2.gz RIDSMFZWWURFQI-CJNGLKHVSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572790 706722777 /nfs/dbraw/zinc/72/27/77/706722777.db2.gz RIDSMFZWWURFQI-CJNGLKHVSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572790 706722781 /nfs/dbraw/zinc/72/27/81/706722781.db2.gz RIDSMFZWWURFQI-CJNGLKHVSA-N 2 2 305.378 2.000 20 5 DDBDLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154145 711049630 /nfs/dbraw/zinc/04/96/30/711049630.db2.gz TVNDCMKFHJZYMU-ABAIWWIYSA-N 2 2 309.366 1.321 20 5 DDBDLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154145 711049631 /nfs/dbraw/zinc/04/96/31/711049631.db2.gz TVNDCMKFHJZYMU-ABAIWWIYSA-N 2 2 309.366 1.321 20 5 DDBDLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218903 777050847 /nfs/dbraw/zinc/05/08/47/777050847.db2.gz SSTWJTCJBHHGSO-WFASDCNBSA-N 2 2 323.393 1.786 20 5 DDBDLP Cn1c[nH+]cc1-c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001231082850 885199065 /nfs/dbraw/zinc/19/90/65/885199065.db2.gz UNBHJSURJJRJPI-CQSZACIVSA-N 2 2 318.397 1.450 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153666844 290650201 /nfs/dbraw/zinc/65/02/01/290650201.db2.gz SZUHGZYVQCRGRR-YPMHNXCESA-N 2 2 311.382 1.567 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857522 304020195 /nfs/dbraw/zinc/02/01/95/304020195.db2.gz UZJZFFIHFUNTII-CHWSQXEVSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857522 304020196 /nfs/dbraw/zinc/02/01/96/304020196.db2.gz UZJZFFIHFUNTII-CHWSQXEVSA-N 2 2 309.366 1.018 20 5 DDBDLP CCc1nn(C)c(NCC[NH+]2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000091733236 353835338 /nfs/dbraw/zinc/83/53/38/353835338.db2.gz VSPACSDNAMJULG-UHFFFAOYSA-N 2 2 324.429 1.329 20 5 DDBDLP C[NH2+]C[C@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596654361 356943410 /nfs/dbraw/zinc/94/34/10/356943410.db2.gz JSRRNFNREMKFPZ-FZMZJTMJSA-N 2 2 303.366 1.615 20 5 DDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598991209 357785770 /nfs/dbraw/zinc/78/57/70/357785770.db2.gz WHJMPUYCAMMIPT-NSHDSACASA-N 2 2 312.395 1.086 20 5 DDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598991209 357785777 /nfs/dbraw/zinc/78/57/77/357785777.db2.gz WHJMPUYCAMMIPT-NSHDSACASA-N 2 2 312.395 1.086 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])n1 ZINC000602641001 359092516 /nfs/dbraw/zinc/09/25/16/359092516.db2.gz UEQHCSOMSGJLRS-CYBMUJFWSA-N 2 2 303.322 1.377 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])n1 ZINC000602641001 359092520 /nfs/dbraw/zinc/09/25/20/359092520.db2.gz UEQHCSOMSGJLRS-CYBMUJFWSA-N 2 2 303.322 1.377 20 5 DDBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567648394 304232105 /nfs/dbraw/zinc/23/21/05/304232105.db2.gz LEOQPGVDCADQEK-OLZOCXBDSA-N 2 2 309.366 1.330 20 5 DDBDLP C[NH+](C)C[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413193396 224151524 /nfs/dbraw/zinc/15/15/24/224151524.db2.gz ABYXQHXQIJWMQH-OAHLLOKOSA-N 2 2 304.350 1.868 20 5 DDBDLP [NH3+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000342578057 409738414 /nfs/dbraw/zinc/73/84/14/409738414.db2.gz BUVHAERRGDTXHL-UHFFFAOYSA-N 2 2 315.333 1.392 20 5 DDBDLP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000359479102 410682467 /nfs/dbraw/zinc/68/24/67/410682467.db2.gz XRCOXJZFKHCCIY-TXEJJXNPSA-N 2 2 307.350 1.263 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000359479102 410682473 /nfs/dbraw/zinc/68/24/73/410682473.db2.gz XRCOXJZFKHCCIY-TXEJJXNPSA-N 2 2 307.350 1.263 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000348295599 410903381 /nfs/dbraw/zinc/90/33/81/410903381.db2.gz UGCNDWKHXOXEBM-NEPJUHHUSA-N 2 2 308.382 1.852 20 5 DDBDLP CC[NH2+]CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423237875 419994203 /nfs/dbraw/zinc/99/42/03/419994203.db2.gz QGUNENLIWFTQMW-AWEZNQCLSA-N 2 2 303.366 1.617 20 5 DDBDLP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580175 420087216 /nfs/dbraw/zinc/08/72/16/420087216.db2.gz XHTIRRHKOZJKPL-SWLSCSKDSA-N 2 2 305.378 1.895 20 5 DDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420375164 420245583 /nfs/dbraw/zinc/24/55/83/420245583.db2.gz SSIHHPBKSPFSLJ-ZETOZRRWSA-N 2 2 306.366 1.509 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784638 420714979 /nfs/dbraw/zinc/71/49/79/420714979.db2.gz SFDVHKHNJODMRN-GHMZBOCLSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784638 420714982 /nfs/dbraw/zinc/71/49/82/420714982.db2.gz SFDVHKHNJODMRN-GHMZBOCLSA-N 2 2 317.349 1.814 20 5 DDBDLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588826 698123193 /nfs/dbraw/zinc/12/31/93/698123193.db2.gz CFHPUYIXBYEGLS-CJNGLKHVSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588826 698123195 /nfs/dbraw/zinc/12/31/95/698123195.db2.gz CFHPUYIXBYEGLS-CJNGLKHVSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588826 698123197 /nfs/dbraw/zinc/12/31/97/698123197.db2.gz CFHPUYIXBYEGLS-CJNGLKHVSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588826 698123199 /nfs/dbraw/zinc/12/31/99/698123199.db2.gz CFHPUYIXBYEGLS-CJNGLKHVSA-N 2 2 307.394 1.902 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577505 706724956 /nfs/dbraw/zinc/72/49/56/706724956.db2.gz JRKSOZRIZFNERO-KBMXLJTQSA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577505 706724959 /nfs/dbraw/zinc/72/49/59/706724959.db2.gz JRKSOZRIZFNERO-KBMXLJTQSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577505 706724962 /nfs/dbraw/zinc/72/49/62/706724962.db2.gz JRKSOZRIZFNERO-KBMXLJTQSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577505 706724964 /nfs/dbraw/zinc/72/49/64/706724964.db2.gz JRKSOZRIZFNERO-KBMXLJTQSA-N 2 2 305.378 1.654 20 5 DDBDLP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000873251846 707786055 /nfs/dbraw/zinc/78/60/55/707786055.db2.gz LVJODEQCTFBPRN-CVEARBPZSA-N 2 2 305.378 1.760 20 5 DDBDLP Cc1cc(Cl)nc(NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001157915114 767283764 /nfs/dbraw/zinc/28/37/64/767283764.db2.gz PVJYPIRAGRONOP-UHFFFAOYSA-N 2 2 312.761 1.546 20 5 DDBDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001149123638 773064297 /nfs/dbraw/zinc/06/42/97/773064297.db2.gz MVEMVEIIHYIROQ-UHFFFAOYSA-N 2 2 317.349 1.075 20 5 DDBDLP COc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258620 864521004 /nfs/dbraw/zinc/52/10/04/864521004.db2.gz DVPRPZYPVGPOTG-NSHDSACASA-N 2 2 321.381 1.000 20 5 DDBDLP COc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258620 864521008 /nfs/dbraw/zinc/52/10/08/864521008.db2.gz DVPRPZYPVGPOTG-NSHDSACASA-N 2 2 321.381 1.000 20 5 DDBDLP Cn1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])n1 ZINC001331757299 865299331 /nfs/dbraw/zinc/29/93/31/865299331.db2.gz NCROMEIXUDEOBG-GFCCVEGCSA-N 2 2 318.381 1.517 20 5 DDBDLP Cn1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])n1 ZINC001331757299 865299340 /nfs/dbraw/zinc/29/93/40/865299340.db2.gz NCROMEIXUDEOBG-GFCCVEGCSA-N 2 2 318.381 1.517 20 5 DDBDLP C[NH+](C)C1(CNc2cnc(F)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001164213030 869022847 /nfs/dbraw/zinc/02/28/47/869022847.db2.gz MAYREVVCJVGJCJ-UHFFFAOYSA-N 2 2 311.361 1.567 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308168710 871475073 /nfs/dbraw/zinc/47/50/73/871475073.db2.gz UAXSHXPDUHCIHJ-UHFFFAOYSA-N 2 2 318.381 1.713 20 5 DDBDLP CCc1cc(NC[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591436739 355310323 /nfs/dbraw/zinc/31/03/23/355310323.db2.gz OPVVWSUVSMSOGX-JTQLQIEISA-N 2 2 301.350 1.795 20 5 DDBDLP Cc1cc(NC[C@H]2COCC[N@H+]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599159402 357832336 /nfs/dbraw/zinc/83/23/36/357832336.db2.gz BKNZIBLRBVFVCR-ZDUSSCGKSA-N 2 2 316.361 1.616 20 5 DDBDLP Cc1cc(NC[C@H]2COCC[N@@H+]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599159402 357832341 /nfs/dbraw/zinc/83/23/41/357832341.db2.gz BKNZIBLRBVFVCR-ZDUSSCGKSA-N 2 2 316.361 1.616 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000357092312 409866232 /nfs/dbraw/zinc/86/62/32/409866232.db2.gz ULSOGNAPAMZSAT-QWRGUYRKSA-N 2 2 302.334 1.777 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)nc2c1 ZINC000357092312 409866242 /nfs/dbraw/zinc/86/62/42/409866242.db2.gz ULSOGNAPAMZSAT-QWRGUYRKSA-N 2 2 302.334 1.777 20 5 DDBDLP COc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000353354549 410937959 /nfs/dbraw/zinc/93/79/59/410937959.db2.gz PCJGNBINGNYOST-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000353354549 410937965 /nfs/dbraw/zinc/93/79/65/410937965.db2.gz PCJGNBINGNYOST-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414962919 419897076 /nfs/dbraw/zinc/89/70/76/419897076.db2.gz SYSCDVJLGFCTJI-JQWIXIFHSA-N 2 2 309.366 1.700 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431166996 229012512 /nfs/dbraw/zinc/01/25/12/229012512.db2.gz MMXVJMOWRFCCLT-LBPRGKRZSA-N 2 2 303.322 1.377 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431166996 229012513 /nfs/dbraw/zinc/01/25/13/229012513.db2.gz MMXVJMOWRFCCLT-LBPRGKRZSA-N 2 2 303.322 1.377 20 5 DDBDLP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000430954088 420221551 /nfs/dbraw/zinc/22/15/51/420221551.db2.gz IPBNPHHNOCVDET-BYCMXARLSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000430954088 420221555 /nfs/dbraw/zinc/22/15/55/420221555.db2.gz IPBNPHHNOCVDET-BYCMXARLSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@H]([NH3+])[C@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472805 298992430 /nfs/dbraw/zinc/99/24/30/298992430.db2.gz QJMVVZYNQQDIGL-COPLHBTASA-N 2 2 303.366 1.743 20 5 DDBDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000747469643 700071995 /nfs/dbraw/zinc/07/19/95/700071995.db2.gz HGAODVRTTJWILL-CYBMUJFWSA-N 2 2 311.386 1.182 20 5 DDBDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000747469643 700071998 /nfs/dbraw/zinc/07/19/98/700071998.db2.gz HGAODVRTTJWILL-CYBMUJFWSA-N 2 2 311.386 1.182 20 5 DDBDLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128986346 750687382 /nfs/dbraw/zinc/68/73/82/750687382.db2.gz SIQQUNOQQJAHQH-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128986346 750687385 /nfs/dbraw/zinc/68/73/85/750687385.db2.gz SIQQUNOQQJAHQH-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177411330 778586667 /nfs/dbraw/zinc/58/66/67/778586667.db2.gz HSHKVUPDKOTXEW-UHFFFAOYSA-N 2 2 323.378 1.149 20 5 DDBDLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404307951 354676112 /nfs/dbraw/zinc/67/61/12/354676112.db2.gz IYDBJMZNRLOARJ-JSGCOSHPSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404307951 354676115 /nfs/dbraw/zinc/67/61/15/354676115.db2.gz IYDBJMZNRLOARJ-JSGCOSHPSA-N 2 2 320.393 1.983 20 5 DDBDLP Cc1noc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595296145 356437756 /nfs/dbraw/zinc/43/77/56/356437756.db2.gz JOKKFPWRDXDCPQ-UHFFFAOYSA-N 2 2 324.381 1.435 20 5 DDBDLP Cc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000596651201 356942621 /nfs/dbraw/zinc/94/26/21/356942621.db2.gz BGIOSRCCYXVNSA-JTQLQIEISA-N 2 2 317.349 1.708 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484133 359010346 /nfs/dbraw/zinc/01/03/46/359010346.db2.gz HPIFYHOSWNSOLR-WFASDCNBSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484133 359010350 /nfs/dbraw/zinc/01/03/50/359010350.db2.gz HPIFYHOSWNSOLR-WFASDCNBSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484133 359010354 /nfs/dbraw/zinc/01/03/54/359010354.db2.gz HPIFYHOSWNSOLR-WFASDCNBSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484133 359010357 /nfs/dbraw/zinc/01/03/57/359010357.db2.gz HPIFYHOSWNSOLR-WFASDCNBSA-N 2 2 319.409 1.777 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCn3cc[nH+]c3)CC2)cn1 ZINC000602503319 359017216 /nfs/dbraw/zinc/01/72/16/359017216.db2.gz MDNHMHGEMRGEMW-UHFFFAOYSA-N 2 2 316.365 1.445 20 5 DDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352700050 285238213 /nfs/dbraw/zinc/23/82/13/285238213.db2.gz KVOJUDBZFVGWHH-WMHVBEDNSA-N 2 2 316.405 1.588 20 5 DDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129180418 407593585 /nfs/dbraw/zinc/59/35/85/407593585.db2.gz FDKQNZHKYSJMJK-OAHLLOKOSA-N 2 2 305.378 1.749 20 5 DDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129180418 407593592 /nfs/dbraw/zinc/59/35/92/407593592.db2.gz FDKQNZHKYSJMJK-OAHLLOKOSA-N 2 2 305.378 1.749 20 5 DDBDLP Cc1c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cccc1[N+](=O)[O-] ZINC000266969698 407699673 /nfs/dbraw/zinc/69/96/73/407699673.db2.gz ZQSMVTQVYKKFAJ-UHFFFAOYSA-N 2 2 315.377 1.959 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346087000 409771413 /nfs/dbraw/zinc/77/14/13/409771413.db2.gz VBSVQUJNWGEWOK-NSHDSACASA-N 2 2 322.365 1.355 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346087000 409771419 /nfs/dbraw/zinc/77/14/19/409771419.db2.gz VBSVQUJNWGEWOK-NSHDSACASA-N 2 2 322.365 1.355 20 5 DDBDLP CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372604710 418887038 /nfs/dbraw/zinc/88/70/38/418887038.db2.gz CLCJHQLCKBNRMP-HNNXBMFYSA-N 2 2 319.409 1.595 20 5 DDBDLP CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372604710 418887040 /nfs/dbraw/zinc/88/70/40/418887040.db2.gz CLCJHQLCKBNRMP-HNNXBMFYSA-N 2 2 319.409 1.595 20 5 DDBDLP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC([NH3+])C1 ZINC000420325221 420210038 /nfs/dbraw/zinc/21/00/38/420210038.db2.gz CSZHAWVJBKSRJU-UHFFFAOYSA-N 2 2 312.757 1.608 20 5 DDBDLP C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC([NH3+])C1 ZINC000420325221 420210040 /nfs/dbraw/zinc/21/00/40/420210040.db2.gz CSZHAWVJBKSRJU-UHFFFAOYSA-N 2 2 312.757 1.608 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430605985 420156560 /nfs/dbraw/zinc/15/65/60/420156560.db2.gz UCUVPKWSSUWJQE-RYUDHWBXSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430605985 420156563 /nfs/dbraw/zinc/15/65/63/420156563.db2.gz UCUVPKWSSUWJQE-RYUDHWBXSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757060 420707534 /nfs/dbraw/zinc/70/75/34/420707534.db2.gz GAHNKSDHRVTHBP-TYNCELHUSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757060 420707537 /nfs/dbraw/zinc/70/75/37/420707537.db2.gz GAHNKSDHRVTHBP-TYNCELHUSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000447803057 420801870 /nfs/dbraw/zinc/80/18/70/420801870.db2.gz PXXAOUWXLNDBOQ-ZDUSSCGKSA-N 2 2 322.409 1.789 20 5 DDBDLP CC[NH+]1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000877830224 706226503 /nfs/dbraw/zinc/22/65/03/706226503.db2.gz FHFGBSAYOQCUCT-HZPDHXFCSA-N 2 2 323.393 1.063 20 5 DDBDLP CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267433920 838034627 /nfs/dbraw/zinc/03/46/27/838034627.db2.gz DYBVNOZNEDFQKA-UHFFFAOYSA-N 2 2 317.349 1.109 20 5 DDBDLP CC(C)Oc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001157916404 864262094 /nfs/dbraw/zinc/26/20/94/864262094.db2.gz WTHOCDSRPAJWRD-UHFFFAOYSA-N 2 2 322.369 1.371 20 5 DDBDLP Cc1[nH+]c2c(n1-c1cnc3ccc([N+](=O)[O-])cc3n1)CC[NH2+]CC2 ZINC001165352026 869537926 /nfs/dbraw/zinc/53/79/26/869537926.db2.gz LGPHBSXOEPRCLQ-UHFFFAOYSA-N 2 2 324.344 1.720 20 5 DDBDLP Cc1c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC001308469802 871500145 /nfs/dbraw/zinc/50/01/45/871500145.db2.gz VYZWEWMALWCWGS-HNNXBMFYSA-N 2 2 320.393 1.333 20 5 DDBDLP Cc1c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC001308469802 871500158 /nfs/dbraw/zinc/50/01/58/871500158.db2.gz VYZWEWMALWCWGS-HNNXBMFYSA-N 2 2 320.393 1.333 20 5 DDBDLP C[NH+]1CCC(CO)([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596739 896521202 /nfs/dbraw/zinc/52/12/02/896521202.db2.gz FVJBFWZMDBNDHW-AWEZNQCLSA-N 2 2 305.378 1.108 20 5 DDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC000591579927 355330110 /nfs/dbraw/zinc/33/01/10/355330110.db2.gz ABDSFLNUEPOZJV-RVMXOQNASA-N 2 2 311.361 1.565 20 5 DDBDLP C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000601327621 358499691 /nfs/dbraw/zinc/49/96/91/358499691.db2.gz XRCCWHSOLFIOBB-VXGBXAGGSA-N 2 2 306.366 1.084 20 5 DDBDLP C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000601327621 358499686 /nfs/dbraw/zinc/49/96/86/358499686.db2.gz XRCCWHSOLFIOBB-VXGBXAGGSA-N 2 2 306.366 1.084 20 5 DDBDLP O=C(CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000601328726 358500143 /nfs/dbraw/zinc/50/01/43/358500143.db2.gz XFIXGJNJTLBTEP-WBMJQRKESA-N 2 2 318.377 1.655 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905845 356699718 /nfs/dbraw/zinc/69/97/18/356699718.db2.gz HMHBBSVTEANNCF-CHWSQXEVSA-N 2 2 324.356 1.603 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905845 356699720 /nfs/dbraw/zinc/69/97/20/356699720.db2.gz HMHBBSVTEANNCF-CHWSQXEVSA-N 2 2 324.356 1.603 20 5 DDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([NH2+]CCO)CC1 ZINC000602021545 358780310 /nfs/dbraw/zinc/78/03/10/358780310.db2.gz PLGNXTIMZXSIKY-HWKANZROSA-N 2 2 305.378 1.654 20 5 DDBDLP CC1([NH+]2CCCC2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000602951519 359316921 /nfs/dbraw/zinc/31/69/21/359316921.db2.gz QINAZONSPNOQAS-UHFFFAOYSA-N 2 2 307.398 1.742 20 5 DDBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000610271198 360404923 /nfs/dbraw/zinc/40/49/23/360404923.db2.gz JWMXABVBMAZRSW-YPMHNXCESA-N 2 2 321.377 1.938 20 5 DDBDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000610271198 360404928 /nfs/dbraw/zinc/40/49/28/360404928.db2.gz JWMXABVBMAZRSW-YPMHNXCESA-N 2 2 321.377 1.938 20 5 DDBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)nc1 ZINC000183190397 408347238 /nfs/dbraw/zinc/34/72/38/408347238.db2.gz MLOLLJIUQJUKTM-CYBMUJFWSA-N 2 2 316.365 1.763 20 5 DDBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)nc1 ZINC000183190397 408347244 /nfs/dbraw/zinc/34/72/44/408347244.db2.gz MLOLLJIUQJUKTM-CYBMUJFWSA-N 2 2 316.365 1.763 20 5 DDBDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668331 409158066 /nfs/dbraw/zinc/15/80/66/409158066.db2.gz JPMLFWIXVHELFN-AAEUAGOBSA-N 2 2 307.398 1.073 20 5 DDBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668331 409158069 /nfs/dbraw/zinc/15/80/69/409158069.db2.gz JPMLFWIXVHELFN-AAEUAGOBSA-N 2 2 307.398 1.073 20 5 DDBDLP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCO)CC1 ZINC000357653893 410166668 /nfs/dbraw/zinc/16/66/68/410166668.db2.gz XGQWJUBYNPJOEL-UHFFFAOYSA-N 2 2 323.393 1.362 20 5 DDBDLP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCO)CC1 ZINC000357653893 410166676 /nfs/dbraw/zinc/16/66/76/410166676.db2.gz XGQWJUBYNPJOEL-UHFFFAOYSA-N 2 2 323.393 1.362 20 5 DDBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000340157699 410715367 /nfs/dbraw/zinc/71/53/67/410715367.db2.gz ZZPRYWRSPRICII-UHFFFAOYSA-N 2 2 319.409 1.382 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430549475 420134228 /nfs/dbraw/zinc/13/42/28/420134228.db2.gz XUPOKQQAHXXOBS-XQQFMLRXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430549475 420134234 /nfs/dbraw/zinc/13/42/34/420134234.db2.gz XUPOKQQAHXXOBS-XQQFMLRXSA-N 2 2 320.393 1.981 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423550559 420079025 /nfs/dbraw/zinc/07/90/25/420079025.db2.gz FQCURCUGPJNMRL-YPMHNXCESA-N 2 2 309.366 1.633 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420369700 420241371 /nfs/dbraw/zinc/24/13/71/420241371.db2.gz OKQWMVCZHKBAPI-MCYUEQNJSA-N 2 2 320.393 1.898 20 5 DDBDLP C[C@H]([NH3+])C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367654 420241545 /nfs/dbraw/zinc/24/15/45/420241545.db2.gz HHQBTQLWHPKGAC-NSHDSACASA-N 2 2 318.381 1.330 20 5 DDBDLP C[C@H]([NH3+])C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367654 420241549 /nfs/dbraw/zinc/24/15/49/420241549.db2.gz HHQBTQLWHPKGAC-NSHDSACASA-N 2 2 318.381 1.330 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435617881 420267228 /nfs/dbraw/zinc/26/72/28/420267228.db2.gz QZVLMGKOXVPFRS-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435617881 420267232 /nfs/dbraw/zinc/26/72/32/420267232.db2.gz QZVLMGKOXVPFRS-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767209 420712310 /nfs/dbraw/zinc/71/23/10/420712310.db2.gz QFOQTKFETMIELU-VXGBXAGGSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767209 420712312 /nfs/dbraw/zinc/71/23/12/420712312.db2.gz QFOQTKFETMIELU-VXGBXAGGSA-N 2 2 318.377 1.153 20 5 DDBDLP C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448558281 420863268 /nfs/dbraw/zinc/86/32/68/420863268.db2.gz UGRJOHNXVYPXAN-UHFFFAOYSA-N 2 2 315.333 1.168 20 5 DDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[NH+]1CCC(O)CC1 ZINC000449648046 421044696 /nfs/dbraw/zinc/04/46/96/421044696.db2.gz RRFUUHQQJOMHEZ-HYXAFXHYSA-N 2 2 305.378 1.654 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC001326757417 861593956 /nfs/dbraw/zinc/59/39/56/861593956.db2.gz ORBBTRDNVVILSJ-CQSZACIVSA-N 2 2 317.349 1.174 20 5 DDBDLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553538 870042636 /nfs/dbraw/zinc/04/26/36/870042636.db2.gz XUEVENUQZRSYCN-SOUVJXGZSA-N 2 2 307.394 1.947 20 5 DDBDLP COc1ccc(C[C@@H](C)[NH2+][C@H]2C[NH2+]CC23CC3)c([N+](=O)[O-])c1 ZINC001246136296 892433623 /nfs/dbraw/zinc/43/36/23/892433623.db2.gz WGQKOCHSBURVSX-ABAIWWIYSA-N 2 2 305.378 1.876 20 5 DDBDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451106851 231010613 /nfs/dbraw/zinc/01/06/13/231010613.db2.gz PRILNPPGESRPOM-LBPRGKRZSA-N 2 2 306.366 1.019 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000564215234 303990543 /nfs/dbraw/zinc/99/05/43/303990543.db2.gz LFKZZPWDXQFEGA-UHFFFAOYSA-N 2 2 319.405 1.921 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](CCCO)CC3)c2c1 ZINC000601109868 358405435 /nfs/dbraw/zinc/40/54/35/358405435.db2.gz ULRWXYAYGPODGF-UHFFFAOYSA-N 2 2 316.361 1.647 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000602834800 359226655 /nfs/dbraw/zinc/22/66/55/359226655.db2.gz DBHAWFYFOGUPOM-HNNXBMFYSA-N 2 2 307.398 1.517 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000602834800 359226659 /nfs/dbraw/zinc/22/66/59/359226659.db2.gz DBHAWFYFOGUPOM-HNNXBMFYSA-N 2 2 307.398 1.517 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000602834800 359226664 /nfs/dbraw/zinc/22/66/64/359226664.db2.gz DBHAWFYFOGUPOM-HNNXBMFYSA-N 2 2 307.398 1.517 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000602834800 359226667 /nfs/dbraw/zinc/22/66/67/359226667.db2.gz DBHAWFYFOGUPOM-HNNXBMFYSA-N 2 2 307.398 1.517 20 5 DDBDLP COc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877768 359261054 /nfs/dbraw/zinc/26/10/54/359261054.db2.gz PUXPZWRPNZQWQQ-MRXNPFEDSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877768 359261055 /nfs/dbraw/zinc/26/10/55/359261055.db2.gz PUXPZWRPNZQWQQ-MRXNPFEDSA-N 2 2 323.393 1.492 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565179 363676234 /nfs/dbraw/zinc/67/62/34/363676234.db2.gz GCTIJXKZWIDRME-MJBXVCDLSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565179 363676242 /nfs/dbraw/zinc/67/62/42/363676242.db2.gz GCTIJXKZWIDRME-MJBXVCDLSA-N 2 2 307.398 1.959 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569502913 304359279 /nfs/dbraw/zinc/35/92/79/304359279.db2.gz MELFLOVCSBXRAM-NJZAAPMLSA-N 2 2 318.377 1.208 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569502913 304359281 /nfs/dbraw/zinc/35/92/81/304359281.db2.gz MELFLOVCSBXRAM-NJZAAPMLSA-N 2 2 318.377 1.208 20 5 DDBDLP [NH3+]C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178514705 407479256 /nfs/dbraw/zinc/47/92/56/407479256.db2.gz JKTAZCNHYZFJKC-LLVKDONJSA-N 2 2 315.333 1.201 20 5 DDBDLP CC(C)([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236636855 407737567 /nfs/dbraw/zinc/73/75/67/407737567.db2.gz BIBNVWRZMCRURT-UHFFFAOYSA-N 2 2 303.322 1.248 20 5 DDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000344918380 409554456 /nfs/dbraw/zinc/55/44/56/409554456.db2.gz XOFRILVQWCBZRH-DZXKJOIRSA-N 2 2 318.421 1.834 20 5 DDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000344918380 409554466 /nfs/dbraw/zinc/55/44/66/409554466.db2.gz XOFRILVQWCBZRH-DZXKJOIRSA-N 2 2 318.421 1.834 20 5 DDBDLP C[NH2+]C[C@@H](C)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423279747 420001845 /nfs/dbraw/zinc/00/18/45/420001845.db2.gz TUEXSVVUQHHRGK-IUODEOHRSA-N 2 2 317.393 1.863 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423578394 420087581 /nfs/dbraw/zinc/08/75/81/420087581.db2.gz UMOOUDSFUODQGW-CABCVRRESA-N 2 2 305.378 1.494 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420363526 420239586 /nfs/dbraw/zinc/23/95/86/420239586.db2.gz NYIUGDLQBHHSLI-ZDUSSCGKSA-N 2 2 308.382 1.805 20 5 DDBDLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420369706 420242251 /nfs/dbraw/zinc/24/22/51/420242251.db2.gz OKQWMVCZHKBAPI-OZTPJHRESA-N 2 2 320.393 1.898 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279145 301155589 /nfs/dbraw/zinc/15/55/89/301155589.db2.gz VVTKLTZKVHROOT-LLVKDONJSA-N 2 2 322.365 1.086 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279145 301155591 /nfs/dbraw/zinc/15/55/91/301155591.db2.gz VVTKLTZKVHROOT-LLVKDONJSA-N 2 2 322.365 1.086 20 5 DDBDLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397308877 302353597 /nfs/dbraw/zinc/35/35/97/302353597.db2.gz IBJROYVSOFDTPI-UPJWGTAASA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397308877 302353601 /nfs/dbraw/zinc/35/36/01/302353601.db2.gz IBJROYVSOFDTPI-UPJWGTAASA-N 2 2 320.393 1.839 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366633687 307078071 /nfs/dbraw/zinc/07/80/71/307078071.db2.gz CKYCFGSEKRTCIW-TZMCWYRMSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366633687 307078072 /nfs/dbraw/zinc/07/80/72/307078072.db2.gz CKYCFGSEKRTCIW-TZMCWYRMSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366633687 307078073 /nfs/dbraw/zinc/07/80/73/307078073.db2.gz CKYCFGSEKRTCIW-TZMCWYRMSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366633687 307078074 /nfs/dbraw/zinc/07/80/74/307078074.db2.gz CKYCFGSEKRTCIW-TZMCWYRMSA-N 2 2 319.409 1.777 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571284 706721981 /nfs/dbraw/zinc/72/19/81/706721981.db2.gz OSLBIFPAFTZLEK-KGLIPLIRSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571284 706721984 /nfs/dbraw/zinc/72/19/84/706721984.db2.gz OSLBIFPAFTZLEK-KGLIPLIRSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571284 706721985 /nfs/dbraw/zinc/72/19/85/706721985.db2.gz OSLBIFPAFTZLEK-KGLIPLIRSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571284 706721989 /nfs/dbraw/zinc/72/19/89/706721989.db2.gz OSLBIFPAFTZLEK-KGLIPLIRSA-N 2 2 305.378 2.000 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000873027103 707699899 /nfs/dbraw/zinc/69/98/99/707699899.db2.gz SCEMVNZWOZWUBZ-UHFFFAOYSA-N 2 2 320.393 1.075 20 5 DDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001173230000 777063186 /nfs/dbraw/zinc/06/31/86/777063186.db2.gz WVBQIEYBWAZVKL-ZDUSSCGKSA-N 2 2 307.394 1.572 20 5 DDBDLP Cc1[nH+]c2c(n1-c1nc(Cl)nc(C)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351373 869537504 /nfs/dbraw/zinc/53/75/04/869537504.db2.gz CBMOIHPBADGDKS-UHFFFAOYSA-N 2 2 322.756 1.529 20 5 DDBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551564 185302866 /nfs/dbraw/zinc/30/28/66/185302866.db2.gz OZQOCNDWGACBQT-AWEZNQCLSA-N 2 2 322.409 1.420 20 5 DDBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551564 185302867 /nfs/dbraw/zinc/30/28/67/185302867.db2.gz OZQOCNDWGACBQT-AWEZNQCLSA-N 2 2 322.409 1.420 20 5 DDBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551564 185302868 /nfs/dbraw/zinc/30/28/68/185302868.db2.gz OZQOCNDWGACBQT-AWEZNQCLSA-N 2 2 322.409 1.420 20 5 DDBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551564 185302869 /nfs/dbraw/zinc/30/28/69/185302869.db2.gz OZQOCNDWGACBQT-AWEZNQCLSA-N 2 2 322.409 1.420 20 5 DDBDLP CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000316619994 354504357 /nfs/dbraw/zinc/50/43/57/354504357.db2.gz AUZMHBSPORRILS-ZWNOBZJWSA-N 2 2 306.366 1.253 20 5 DDBDLP CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000316619994 354504359 /nfs/dbraw/zinc/50/43/59/354504359.db2.gz AUZMHBSPORRILS-ZWNOBZJWSA-N 2 2 306.366 1.253 20 5 DDBDLP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC[NH2+]CC1 ZINC000592424310 355579514 /nfs/dbraw/zinc/57/95/14/355579514.db2.gz GICPOMMASRKUDP-UHFFFAOYSA-N 2 2 307.350 1.550 20 5 DDBDLP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC[NH2+]CC1 ZINC000592424310 355579518 /nfs/dbraw/zinc/57/95/18/355579518.db2.gz GICPOMMASRKUDP-UHFFFAOYSA-N 2 2 307.350 1.550 20 5 DDBDLP O=C(CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000601328039 358499554 /nfs/dbraw/zinc/49/95/54/358499554.db2.gz FFKOCLRVJYHFTN-WBMJQRKESA-N 2 2 318.377 1.655 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989712 357407644 /nfs/dbraw/zinc/40/76/44/357407644.db2.gz IHTRXFYCILPVGL-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989712 357407648 /nfs/dbraw/zinc/40/76/48/357407648.db2.gz IHTRXFYCILPVGL-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000597990206 357408489 /nfs/dbraw/zinc/40/84/89/357408489.db2.gz RFWRZLKCFPBPBR-UHFFFAOYSA-N 2 2 322.409 1.137 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000597990206 357408492 /nfs/dbraw/zinc/40/84/92/357408492.db2.gz RFWRZLKCFPBPBR-UHFFFAOYSA-N 2 2 322.409 1.137 20 5 DDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598991441 357786157 /nfs/dbraw/zinc/78/61/57/357786157.db2.gz YYQBGPXGWVIQES-AWEZNQCLSA-N 2 2 306.366 1.024 20 5 DDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598991441 357786161 /nfs/dbraw/zinc/78/61/61/357786161.db2.gz YYQBGPXGWVIQES-AWEZNQCLSA-N 2 2 306.366 1.024 20 5 DDBDLP CC[NH2+]CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423236597 285600403 /nfs/dbraw/zinc/60/04/03/285600403.db2.gz OLJRFXUAGDKBHT-CQSZACIVSA-N 2 2 303.366 1.617 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000057871733 407218396 /nfs/dbraw/zinc/21/83/96/407218396.db2.gz CTLGMSYOSCDVDL-ZDUSSCGKSA-N 2 2 305.382 1.111 20 5 DDBDLP [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000238051923 407878994 /nfs/dbraw/zinc/87/89/94/407878994.db2.gz AOBUOOSSPGKRFM-GFCCVEGCSA-N 2 2 315.333 1.344 20 5 DDBDLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000298337035 410185030 /nfs/dbraw/zinc/18/50/30/410185030.db2.gz HBASAKZKQHPPMR-LLVKDONJSA-N 2 2 317.349 1.460 20 5 DDBDLP O=[N+]([O-])c1cccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423009071 227311417 /nfs/dbraw/zinc/31/14/17/227311417.db2.gz BXYCWOZUNPSYJI-JKSUJKDBSA-N 2 2 305.378 1.494 20 5 DDBDLP COc1ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430564649 420139246 /nfs/dbraw/zinc/13/92/46/420139246.db2.gz BWXFZQNGUWJGFZ-OAHLLOKOSA-N 2 2 322.365 1.259 20 5 DDBDLP CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430592878 420150963 /nfs/dbraw/zinc/15/09/63/420150963.db2.gz NRXHLYSEARVWGH-HNNXBMFYSA-N 2 2 306.366 1.275 20 5 DDBDLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420391634 420257699 /nfs/dbraw/zinc/25/76/99/420257699.db2.gz SNPZDNYLVVDICE-CQSZACIVSA-N 2 2 306.366 1.241 20 5 DDBDLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420391634 420257703 /nfs/dbraw/zinc/25/77/03/420257703.db2.gz SNPZDNYLVVDICE-CQSZACIVSA-N 2 2 306.366 1.241 20 5 DDBDLP COc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422951210 533694491 /nfs/dbraw/zinc/69/44/91/533694491.db2.gz ZWAARSCEDWYBJX-DGCLKSJQSA-N 2 2 309.366 1.460 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423287901 303003481 /nfs/dbraw/zinc/00/34/81/303003481.db2.gz PDWPQXBEOSAFCL-CYBMUJFWSA-N 2 2 303.366 1.745 20 5 DDBDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000424337407 307301386 /nfs/dbraw/zinc/30/13/86/307301386.db2.gz RNPZVDSIMUTXPR-QJPTWQEYSA-N 2 2 306.366 1.781 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000819323312 704107252 /nfs/dbraw/zinc/10/72/52/704107252.db2.gz ZIBAMQBWSVVNRL-XHDPSFHLSA-N 2 2 302.334 1.498 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866787 706519546 /nfs/dbraw/zinc/51/95/46/706519546.db2.gz XDYCIBUPOHDUAF-HZPDHXFCSA-N 2 2 323.393 1.017 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866787 706519547 /nfs/dbraw/zinc/51/95/47/706519547.db2.gz XDYCIBUPOHDUAF-HZPDHXFCSA-N 2 2 323.393 1.017 20 5 DDBDLP O=C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000903864059 711307870 /nfs/dbraw/zinc/30/78/70/711307870.db2.gz GQLQSAGYQHZJJV-MRXNPFEDSA-N 2 2 318.377 1.751 20 5 DDBDLP O=C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)Nc1ccccc1[N+](=O)[O-] ZINC000903864059 711307876 /nfs/dbraw/zinc/30/78/76/711307876.db2.gz GQLQSAGYQHZJJV-MRXNPFEDSA-N 2 2 318.377 1.751 20 5 DDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923382819 714335851 /nfs/dbraw/zinc/33/58/51/714335851.db2.gz WGRDBALBUZRKFL-ZDUSSCGKSA-N 2 2 321.377 1.162 20 5 DDBDLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177401572 778578896 /nfs/dbraw/zinc/57/88/96/778578896.db2.gz VXBRDXIPRNHMSQ-UHFFFAOYSA-N 2 2 317.349 1.087 20 5 DDBDLP Cc1[nH+]c2c(n1-c1nc(C)nc(Cl)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351754 869537315 /nfs/dbraw/zinc/53/73/15/869537315.db2.gz IETFHALOJVOQRY-UHFFFAOYSA-N 2 2 322.756 1.529 20 5 DDBDLP COc1cc(C)nc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165353224 869542726 /nfs/dbraw/zinc/54/27/26/869542726.db2.gz MXYNDNZZJZCCFJ-UHFFFAOYSA-N 2 2 317.349 1.489 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000564988079 304033318 /nfs/dbraw/zinc/03/33/18/304033318.db2.gz CWJUVHRLJFZCSD-LBPRGKRZSA-N 2 2 322.365 1.226 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000564988079 304033319 /nfs/dbraw/zinc/03/33/19/304033319.db2.gz CWJUVHRLJFZCSD-LBPRGKRZSA-N 2 2 322.365 1.226 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448649 355313784 /nfs/dbraw/zinc/31/37/84/355313784.db2.gz LPSOTZJENGHOGS-DOMZBBRYSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448649 355313788 /nfs/dbraw/zinc/31/37/88/355313788.db2.gz LPSOTZJENGHOGS-DOMZBBRYSA-N 2 2 318.377 1.607 20 5 DDBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000593904554 356050892 /nfs/dbraw/zinc/05/08/92/356050892.db2.gz YXARCHGZGJUBAM-OAHLLOKOSA-N 2 2 322.409 1.313 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000595018592 356372928 /nfs/dbraw/zinc/37/29/28/356372928.db2.gz SPZVLFOCFVUDGY-JSGCOSHPSA-N 2 2 323.393 1.711 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000601151176 358423379 /nfs/dbraw/zinc/42/33/79/358423379.db2.gz QSYMSBGJYKQUCB-UHFFFAOYSA-N 2 2 316.361 1.699 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCC[N@H+]3CCCOCC3)c2c1 ZINC000601151176 358423383 /nfs/dbraw/zinc/42/33/83/358423383.db2.gz QSYMSBGJYKQUCB-UHFFFAOYSA-N 2 2 316.361 1.699 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000602675138 359119311 /nfs/dbraw/zinc/11/93/11/359119311.db2.gz RCZNWEDMPQSZRO-INIZCTEOSA-N 2 2 307.394 1.574 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000602675138 359119316 /nfs/dbraw/zinc/11/93/16/359119316.db2.gz RCZNWEDMPQSZRO-INIZCTEOSA-N 2 2 307.394 1.574 20 5 DDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611680914 360790664 /nfs/dbraw/zinc/79/06/64/360790664.db2.gz JKNLWEVGYNAYQO-CYBMUJFWSA-N 2 2 320.393 1.362 20 5 DDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611680914 360790668 /nfs/dbraw/zinc/79/06/68/360790668.db2.gz JKNLWEVGYNAYQO-CYBMUJFWSA-N 2 2 320.393 1.362 20 5 DDBDLP CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472930 284329148 /nfs/dbraw/zinc/32/91/48/284329148.db2.gz BWUYMTUJTUHDIH-NILFDRSVSA-N 2 2 318.377 1.227 20 5 DDBDLP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472930 284329149 /nfs/dbraw/zinc/32/91/49/284329149.db2.gz BWUYMTUJTUHDIH-NILFDRSVSA-N 2 2 318.377 1.227 20 5 DDBDLP O=[N+]([O-])c1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000053101079 183887038 /nfs/dbraw/zinc/88/70/38/183887038.db2.gz WTCWJDLKGKLCNT-UHFFFAOYSA-N 2 2 318.421 1.808 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261651969 407569218 /nfs/dbraw/zinc/56/92/18/407569218.db2.gz HLXIXYRXNHGUBN-OAHLLOKOSA-N 2 2 306.366 1.512 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261651969 407569222 /nfs/dbraw/zinc/56/92/22/407569222.db2.gz HLXIXYRXNHGUBN-OAHLLOKOSA-N 2 2 306.366 1.512 20 5 DDBDLP C[C@@H]([NH3+])CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178613993 407511673 /nfs/dbraw/zinc/51/16/73/407511673.db2.gz LVQIIJQTSKEBMP-SNVBAGLBSA-N 2 2 303.322 1.248 20 5 DDBDLP C[N@H+](CCC[NH+]1CCCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281273664 408878051 /nfs/dbraw/zinc/87/80/51/408878051.db2.gz ICLANJYZWCZXRL-UHFFFAOYSA-N 2 2 308.382 1.174 20 5 DDBDLP C[N@@H+](CCC[NH+]1CCCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281273664 408878054 /nfs/dbraw/zinc/87/80/54/408878054.db2.gz ICLANJYZWCZXRL-UHFFFAOYSA-N 2 2 308.382 1.174 20 5 DDBDLP C[C@@H](C[NH+](C)C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343812744 410717351 /nfs/dbraw/zinc/71/73/51/410717351.db2.gz VXTHOYFGDARQFR-ZDUSSCGKSA-N 2 2 322.409 1.789 20 5 DDBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673534 410866019 /nfs/dbraw/zinc/86/60/19/410866019.db2.gz HKGPOMFCILMVPH-ZIAGYGMSSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673534 410866023 /nfs/dbraw/zinc/86/60/23/410866023.db2.gz HKGPOMFCILMVPH-ZIAGYGMSSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1c(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423071727 227336151 /nfs/dbraw/zinc/33/61/51/227336151.db2.gz ICDMGJUOXPJSFQ-HZPDHXFCSA-N 2 2 305.378 1.760 20 5 DDBDLP COCC[N@H+](C)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413056134 419769459 /nfs/dbraw/zinc/76/94/59/419769459.db2.gz UATHPWPBIIGYNN-UHFFFAOYSA-N 2 2 318.377 2.523 20 5 DDBDLP COCC[N@@H+](C)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413056134 419769481 /nfs/dbraw/zinc/76/94/81/419769481.db2.gz UATHPWPBIIGYNN-UHFFFAOYSA-N 2 2 318.377 2.523 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430548558 420134601 /nfs/dbraw/zinc/13/46/01/420134601.db2.gz CDHJZEJIVRLDFR-HNNXBMFYSA-N 2 2 308.382 1.805 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430562120 420138335 /nfs/dbraw/zinc/13/83/35/420138335.db2.gz PRRYCTMQKXJJEP-NSHDSACASA-N 2 2 308.382 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430562120 420138338 /nfs/dbraw/zinc/13/83/38/420138338.db2.gz PRRYCTMQKXJJEP-NSHDSACASA-N 2 2 308.382 1.839 20 5 DDBDLP CN(C(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430641583 420167467 /nfs/dbraw/zinc/16/74/67/420167467.db2.gz MHFYPHZIFOAORT-UHFFFAOYSA-N 2 2 306.366 1.241 20 5 DDBDLP CN(C(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430641583 420167471 /nfs/dbraw/zinc/16/74/71/420167471.db2.gz MHFYPHZIFOAORT-UHFFFAOYSA-N 2 2 306.366 1.241 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968241 420228703 /nfs/dbraw/zinc/22/87/03/420228703.db2.gz WGKHPBMPFYKHBO-UHIISALHSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968241 420228707 /nfs/dbraw/zinc/22/87/07/420228707.db2.gz WGKHPBMPFYKHBO-UHIISALHSA-N 2 2 306.366 1.591 20 5 DDBDLP CC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000570292982 421636296 /nfs/dbraw/zinc/63/62/96/421636296.db2.gz GZPGWFYIPMQSNN-CQSZACIVSA-N 2 2 304.350 1.771 20 5 DDBDLP CC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000570292982 421636298 /nfs/dbraw/zinc/63/62/98/421636298.db2.gz GZPGWFYIPMQSNN-CQSZACIVSA-N 2 2 304.350 1.771 20 5 DDBDLP CC[N@H+](CCO)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344788819 272118641 /nfs/dbraw/zinc/11/86/41/272118641.db2.gz RRZJZMFXZBWULU-KAMYIIQDSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](CCO)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344788819 272118642 /nfs/dbraw/zinc/11/86/42/272118642.db2.gz RRZJZMFXZBWULU-KAMYIIQDSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+]1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551626 281037379 /nfs/dbraw/zinc/03/73/79/281037379.db2.gz YREYXZQGBSXOBC-UHFFFAOYSA-N 2 2 308.382 1.173 20 5 DDBDLP CC[NH+]1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551626 281037381 /nfs/dbraw/zinc/03/73/81/281037381.db2.gz YREYXZQGBSXOBC-UHFFFAOYSA-N 2 2 308.382 1.173 20 5 DDBDLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117001 308043795 /nfs/dbraw/zinc/04/37/95/308043795.db2.gz LJAOSOAPYKYLDO-AWEZNQCLSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117001 308043796 /nfs/dbraw/zinc/04/37/96/308043796.db2.gz LJAOSOAPYKYLDO-AWEZNQCLSA-N 2 2 309.366 1.018 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000841079688 702338828 /nfs/dbraw/zinc/33/88/28/702338828.db2.gz PAZATQHPDLJMPE-JSGCOSHPSA-N 2 2 322.384 1.853 20 5 DDBDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000817973978 702540804 /nfs/dbraw/zinc/54/08/04/702540804.db2.gz HWAJKCWEQSUUAB-IAQYHMDHSA-N 2 2 308.382 1.596 20 5 DDBDLP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000876956993 705938252 /nfs/dbraw/zinc/93/82/52/705938252.db2.gz PZCKRYJVKUHRAG-HSBZDZAISA-N 2 2 307.398 1.959 20 5 DDBDLP COc1ccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000903471871 711137708 /nfs/dbraw/zinc/13/77/08/711137708.db2.gz VIIVXGTYRBPEDO-OAHLLOKOSA-N 2 2 321.377 1.856 20 5 DDBDLP Cn1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000903812489 711288843 /nfs/dbraw/zinc/28/88/43/711288843.db2.gz ULDIFFKTPRDCTG-CYBMUJFWSA-N 2 2 307.398 1.812 20 5 DDBDLP Cn1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000903812489 711288845 /nfs/dbraw/zinc/28/88/45/711288845.db2.gz ULDIFFKTPRDCTG-CYBMUJFWSA-N 2 2 307.398 1.812 20 5 DDBDLP COc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158259343 864520746 /nfs/dbraw/zinc/52/07/46/864520746.db2.gz QWLWZHAYUNMVRS-NSHDSACASA-N 2 2 321.381 1.000 20 5 DDBDLP COc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158259343 864520748 /nfs/dbraw/zinc/52/07/48/864520748.db2.gz QWLWZHAYUNMVRS-NSHDSACASA-N 2 2 321.381 1.000 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001336735309 869115028 /nfs/dbraw/zinc/11/50/28/869115028.db2.gz MTTIOLZKNYTMKE-ZYHUDNBSSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001336735309 869115035 /nfs/dbraw/zinc/11/50/35/869115035.db2.gz MTTIOLZKNYTMKE-ZYHUDNBSSA-N 2 2 309.366 1.881 20 5 DDBDLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242051 879875355 /nfs/dbraw/zinc/87/53/55/879875355.db2.gz LCWWDTNASGXJFY-QLFBSQMISA-N 2 2 307.394 1.947 20 5 DDBDLP C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000126122282 290935913 /nfs/dbraw/zinc/93/59/13/290935913.db2.gz DAWUDUMLTGCUOP-NSHDSACASA-N 2 2 315.333 1.214 20 5 DDBDLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592473927 355593681 /nfs/dbraw/zinc/59/36/81/355593681.db2.gz VNUVXLNLZGWULY-UHFFFAOYSA-N 2 2 300.746 1.467 20 5 DDBDLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592473927 355593686 /nfs/dbraw/zinc/59/36/86/355593686.db2.gz VNUVXLNLZGWULY-UHFFFAOYSA-N 2 2 300.746 1.467 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489417 355598180 /nfs/dbraw/zinc/59/81/80/355598180.db2.gz VDPGKZJUSSPGBV-YNEHKIRRSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489417 355598185 /nfs/dbraw/zinc/59/81/85/355598185.db2.gz VDPGKZJUSSPGBV-YNEHKIRRSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595990655 356738081 /nfs/dbraw/zinc/73/80/81/356738081.db2.gz AVRABSFKAAXYHL-OAHLLOKOSA-N 2 2 315.333 1.262 20 5 DDBDLP C[C@@H]1[NH2+]CC[C@H]1N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600712893 358291501 /nfs/dbraw/zinc/29/15/01/358291501.db2.gz CJGTZRJSCUAJHE-GLQYFDAESA-N 2 2 315.377 1.758 20 5 DDBDLP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601104659 358403665 /nfs/dbraw/zinc/40/36/65/358403665.db2.gz CFYVGHGTOUPMTM-GFCCVEGCSA-N 2 2 316.361 1.698 20 5 DDBDLP C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@H]1C[N@H+](C)CCO1 ZINC000601130818 358415279 /nfs/dbraw/zinc/41/52/79/358415279.db2.gz CHCBZVWZOUYXHE-BDJLRTHQSA-N 2 2 316.361 1.696 20 5 DDBDLP C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@H]1C[N@@H+](C)CCO1 ZINC000601130818 358415282 /nfs/dbraw/zinc/41/52/82/358415282.db2.gz CHCBZVWZOUYXHE-BDJLRTHQSA-N 2 2 316.361 1.696 20 5 DDBDLP CCn1c[nH+]cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149179 358422600 /nfs/dbraw/zinc/42/26/00/358422600.db2.gz KIHUICBJLRHHAN-HNNXBMFYSA-N 2 2 304.350 1.809 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000601186947 358439465 /nfs/dbraw/zinc/43/94/65/358439465.db2.gz HROASIYTTGZWSJ-QWHCGFSZSA-N 2 2 314.345 1.398 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000601186947 358439468 /nfs/dbraw/zinc/43/94/68/358439468.db2.gz HROASIYTTGZWSJ-QWHCGFSZSA-N 2 2 314.345 1.398 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602526494 359026991 /nfs/dbraw/zinc/02/69/91/359026991.db2.gz KOPKPSQEKOQTKL-AWEZNQCLSA-N 2 2 319.409 1.642 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602526494 359026995 /nfs/dbraw/zinc/02/69/95/359026995.db2.gz KOPKPSQEKOQTKL-AWEZNQCLSA-N 2 2 319.409 1.642 20 5 DDBDLP C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353511968 285777866 /nfs/dbraw/zinc/77/78/66/285777866.db2.gz BXQMNSFPYRNQRZ-SWLSCSKDSA-N 2 2 317.393 1.957 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000125057531 407377693 /nfs/dbraw/zinc/37/76/93/407377693.db2.gz OQZSGVDJXIEYHH-UHFFFAOYSA-N 2 2 301.350 1.614 20 5 DDBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000272432247 407918271 /nfs/dbraw/zinc/91/82/71/407918271.db2.gz HUPWSECRIUULIS-UHFFFAOYSA-N 2 2 324.400 1.803 20 5 DDBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000272432247 407918278 /nfs/dbraw/zinc/91/82/78/407918278.db2.gz HUPWSECRIUULIS-UHFFFAOYSA-N 2 2 324.400 1.803 20 5 DDBDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000134733332 162085297 /nfs/dbraw/zinc/08/52/97/162085297.db2.gz OGUKWXBWHYYDBV-ZDUSSCGKSA-N 2 2 307.398 1.740 20 5 DDBDLP C[C@H]1CCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000134733332 162085299 /nfs/dbraw/zinc/08/52/99/162085299.db2.gz OGUKWXBWHYYDBV-ZDUSSCGKSA-N 2 2 307.398 1.740 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC000360571010 164150009 /nfs/dbraw/zinc/15/00/09/164150009.db2.gz SULCWLFDMOLEOG-OAHLLOKOSA-N 2 2 302.334 1.921 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)nc2c1 ZINC000360571010 164150010 /nfs/dbraw/zinc/15/00/10/164150010.db2.gz SULCWLFDMOLEOG-OAHLLOKOSA-N 2 2 302.334 1.921 20 5 DDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000344918378 409553263 /nfs/dbraw/zinc/55/32/63/409553263.db2.gz XOFRILVQWCBZRH-CRPZLVSXSA-N 2 2 318.421 1.834 20 5 DDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000344918378 409553269 /nfs/dbraw/zinc/55/32/69/409553269.db2.gz XOFRILVQWCBZRH-CRPZLVSXSA-N 2 2 318.421 1.834 20 5 DDBDLP CC[NH+]1CCC([N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000375006150 418586842 /nfs/dbraw/zinc/58/68/42/418586842.db2.gz VSAAPTOAZAELGJ-UHFFFAOYSA-N 2 2 307.398 1.740 20 5 DDBDLP CC[NH+]1CCC([N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000375006150 418586844 /nfs/dbraw/zinc/58/68/44/418586844.db2.gz VSAAPTOAZAELGJ-UHFFFAOYSA-N 2 2 307.398 1.740 20 5 DDBDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411824319 419431943 /nfs/dbraw/zinc/43/19/43/419431943.db2.gz XCCBHLCCYFHEJQ-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)o2)cc1 ZINC000415096419 419941079 /nfs/dbraw/zinc/94/10/79/419941079.db2.gz PTEWGVXIPQHWRK-HNNXBMFYSA-N 2 2 317.345 1.933 20 5 DDBDLP COc1ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430555529 420135967 /nfs/dbraw/zinc/13/59/67/420135967.db2.gz SHONKUOTZSAQMQ-OAHLLOKOSA-N 2 2 324.381 1.505 20 5 DDBDLP O=C(CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420325400 420209936 /nfs/dbraw/zinc/20/99/36/420209936.db2.gz WBBKTDNYOTVGIH-ZDUSSCGKSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)Nc1ccccc1[N+](=O)[O-] ZINC000420325400 420209941 /nfs/dbraw/zinc/20/99/41/420209941.db2.gz WBBKTDNYOTVGIH-ZDUSSCGKSA-N 2 2 318.377 1.750 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420355088 420231875 /nfs/dbraw/zinc/23/18/75/420231875.db2.gz BPRQNIUIOMRJMX-XHBSWPGZSA-N 2 2 320.393 1.818 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091121 275040071 /nfs/dbraw/zinc/04/00/71/275040071.db2.gz BPRLQCBZHQDJDR-NUEKZKHPSA-N 2 2 319.405 1.884 20 5 DDBDLP C[C@H](C[NH3+])C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423314285 278181954 /nfs/dbraw/zinc/18/19/54/278181954.db2.gz XYKXZFKNRBAHMJ-BXUZGUMPSA-N 2 2 303.366 1.602 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194707 307144305 /nfs/dbraw/zinc/14/43/05/307144305.db2.gz FVUKCJWEENMVFT-HNNXBMFYSA-N 2 2 321.425 1.989 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194707 307144306 /nfs/dbraw/zinc/14/43/06/307144306.db2.gz FVUKCJWEENMVFT-HNNXBMFYSA-N 2 2 321.425 1.989 20 5 DDBDLP C[C@H](CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000895297399 711478773 /nfs/dbraw/zinc/47/87/73/711478773.db2.gz LRKBUBQBHNQGRM-LLVKDONJSA-N 2 2 309.366 1.796 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000923428768 714353235 /nfs/dbraw/zinc/35/32/35/714353235.db2.gz QYNFWHRMOKHZJD-HUUCEWRRSA-N 2 2 305.378 1.893 20 5 DDBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338719798 870131860 /nfs/dbraw/zinc/13/18/60/870131860.db2.gz JXJJLLDNMIHZAG-ZIAGYGMSSA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338719798 870131864 /nfs/dbraw/zinc/13/18/64/870131864.db2.gz JXJJLLDNMIHZAG-ZIAGYGMSSA-N 2 2 323.393 1.408 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448650 355313746 /nfs/dbraw/zinc/31/37/46/355313746.db2.gz LPSOTZJENGHOGS-IUODEOHRSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448650 355313750 /nfs/dbraw/zinc/31/37/50/355313750.db2.gz LPSOTZJENGHOGS-IUODEOHRSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000591284732 355278464 /nfs/dbraw/zinc/27/84/64/355278464.db2.gz CMEHVFOSQNUROC-WCQYABFASA-N 2 2 321.377 1.783 20 5 DDBDLP C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000591284732 355278468 /nfs/dbraw/zinc/27/84/68/355278468.db2.gz CMEHVFOSQNUROC-WCQYABFASA-N 2 2 321.377 1.783 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000591299008 355283536 /nfs/dbraw/zinc/28/35/36/355283536.db2.gz XDUBGTMBCVBFAB-GFCCVEGCSA-N 2 2 307.354 1.010 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427679 355580465 /nfs/dbraw/zinc/58/04/65/355580465.db2.gz PPRAOPDABQAEGX-ZYHUDNBSSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427679 355580470 /nfs/dbraw/zinc/58/04/70/355580470.db2.gz PPRAOPDABQAEGX-ZYHUDNBSSA-N 2 2 307.350 1.535 20 5 DDBDLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593728085 355977289 /nfs/dbraw/zinc/97/72/89/355977289.db2.gz ZIYKMBQANFIBOY-ZBFHGGJFSA-N 2 2 321.377 1.629 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000602733346 359155314 /nfs/dbraw/zinc/15/53/14/359155314.db2.gz BGKQDYINYQPCSE-BBWFWOEESA-N 2 2 319.405 1.981 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000602733346 359155316 /nfs/dbraw/zinc/15/53/16/359155316.db2.gz BGKQDYINYQPCSE-BBWFWOEESA-N 2 2 319.405 1.981 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000602796358 359197869 /nfs/dbraw/zinc/19/78/69/359197869.db2.gz XYGKEKWNTWIWQV-GFCCVEGCSA-N 2 2 304.354 1.702 20 5 DDBDLP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178716045 407561385 /nfs/dbraw/zinc/56/13/85/407561385.db2.gz MHNYYRAUDKYNPC-LBPRGKRZSA-N 2 2 315.333 1.262 20 5 DDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370932 407373542 /nfs/dbraw/zinc/37/35/42/407373542.db2.gz MKRRVXYLENUTDP-KRWDZBQOSA-N 2 2 318.421 1.807 20 5 DDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370932 407373543 /nfs/dbraw/zinc/37/35/43/407373543.db2.gz MKRRVXYLENUTDP-KRWDZBQOSA-N 2 2 318.421 1.807 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000131842679 162024286 /nfs/dbraw/zinc/02/42/86/162024286.db2.gz FXLFYXUYRUZSKX-CYBMUJFWSA-N 2 2 303.322 1.340 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000131842679 162024289 /nfs/dbraw/zinc/02/42/89/162024289.db2.gz FXLFYXUYRUZSKX-CYBMUJFWSA-N 2 2 303.322 1.340 20 5 DDBDLP Cc1c(C[N@@H+](C)C2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000357646010 410161542 /nfs/dbraw/zinc/16/15/42/410161542.db2.gz HNYBBQFEZBITJJ-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1c(C[N@H+](C)C2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000357646010 410161549 /nfs/dbraw/zinc/16/15/49/410161549.db2.gz HNYBBQFEZBITJJ-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351865891 410305962 /nfs/dbraw/zinc/30/59/62/410305962.db2.gz POAKUUGHSFGIQQ-SDDRHHMPSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000351865891 410305967 /nfs/dbraw/zinc/30/59/67/410305967.db2.gz POAKUUGHSFGIQQ-SDDRHHMPSA-N 2 2 306.366 1.591 20 5 DDBDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299065798 410505010 /nfs/dbraw/zinc/50/50/10/410505010.db2.gz UPDWSCFAMGVPMA-UHFFFAOYSA-N 2 2 315.377 1.922 20 5 DDBDLP CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000430555472 420135096 /nfs/dbraw/zinc/13/50/96/420135096.db2.gz XSRIRFJSANBFQU-UHFFFAOYSA-N 2 2 308.382 1.474 20 5 DDBDLP CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000430555472 420135101 /nfs/dbraw/zinc/13/51/01/420135101.db2.gz XSRIRFJSANBFQU-UHFFFAOYSA-N 2 2 308.382 1.474 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430632660 420165406 /nfs/dbraw/zinc/16/54/06/420165406.db2.gz YYPGQPPJNQPLNU-NEPJUHHUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430632660 420165411 /nfs/dbraw/zinc/16/54/11/420165411.db2.gz YYPGQPPJNQPLNU-NEPJUHHUSA-N 2 2 306.366 1.593 20 5 DDBDLP [NH3+][C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430641254 420166940 /nfs/dbraw/zinc/16/69/40/420166940.db2.gz LSLMGTUTUJTYHN-GFCCVEGCSA-N 2 2 302.334 1.825 20 5 DDBDLP [NH3+][C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430641254 420166944 /nfs/dbraw/zinc/16/69/44/420166944.db2.gz LSLMGTUTUJTYHN-GFCCVEGCSA-N 2 2 302.334 1.825 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420372211 420243666 /nfs/dbraw/zinc/24/36/66/420243666.db2.gz QBHAIWNDZHDBMG-RSAASHCRSA-N 2 2 320.393 1.818 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580627 706727221 /nfs/dbraw/zinc/72/72/21/706727221.db2.gz IPUKDFVUHYLSFV-FVQBIDKESA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580627 706727224 /nfs/dbraw/zinc/72/72/24/706727224.db2.gz IPUKDFVUHYLSFV-FVQBIDKESA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580627 706727226 /nfs/dbraw/zinc/72/72/26/706727226.db2.gz IPUKDFVUHYLSFV-FVQBIDKESA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580627 706727228 /nfs/dbraw/zinc/72/72/28/706727228.db2.gz IPUKDFVUHYLSFV-FVQBIDKESA-N 2 2 305.378 1.654 20 5 DDBDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876930608 705928886 /nfs/dbraw/zinc/92/88/86/705928886.db2.gz BSXFYODIMMBPHJ-IYXRBSQSSA-N 2 2 307.398 1.959 20 5 DDBDLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876930608 705928889 /nfs/dbraw/zinc/92/88/89/705928889.db2.gz BSXFYODIMMBPHJ-IYXRBSQSSA-N 2 2 307.398 1.959 20 5 DDBDLP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000903076273 711025697 /nfs/dbraw/zinc/02/56/97/711025697.db2.gz MJOGSNOXBMWZDP-SWLSCSKDSA-N 2 2 323.393 1.711 20 5 DDBDLP C[C@@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]C1 ZINC000904307541 711839429 /nfs/dbraw/zinc/83/94/29/711839429.db2.gz CUHDPGZHGWVMRI-MRXNPFEDSA-N 2 2 319.409 1.502 20 5 DDBDLP C[NH+](C)CCONC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001329291737 863581937 /nfs/dbraw/zinc/58/19/37/863581937.db2.gz NDMMWGKCKWWMAI-UHFFFAOYSA-N 2 2 319.321 1.004 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512886 865898424 /nfs/dbraw/zinc/89/84/24/865898424.db2.gz FKYLUVBLXOAYDM-OAHLLOKOSA-N 2 2 305.382 1.442 20 5 DDBDLP C[NH2+]CCCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423204510 529971670 /nfs/dbraw/zinc/97/16/70/529971670.db2.gz UMARDLQAGOKYPN-AWEZNQCLSA-N 2 2 303.366 1.617 20 5 DDBDLP C[NH+](C)C1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615994384 362513656 /nfs/dbraw/zinc/51/36/56/362513656.db2.gz BHOCAHBNLPOJER-UHFFFAOYSA-N 2 2 320.393 1.177 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000090554478 353795838 /nfs/dbraw/zinc/79/58/38/353795838.db2.gz SLKLQGARMROKPU-GFCCVEGCSA-N 2 2 317.349 1.359 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000090554478 353795842 /nfs/dbraw/zinc/79/58/42/353795842.db2.gz SLKLQGARMROKPU-GFCCVEGCSA-N 2 2 317.349 1.359 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448652 355313821 /nfs/dbraw/zinc/31/38/21/355313821.db2.gz LPSOTZJENGHOGS-WFASDCNBSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448652 355313825 /nfs/dbraw/zinc/31/38/25/355313825.db2.gz LPSOTZJENGHOGS-WFASDCNBSA-N 2 2 318.377 1.607 20 5 DDBDLP [NH3+]CCCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593725782 355977014 /nfs/dbraw/zinc/97/70/14/355977014.db2.gz VOXIFIYAFDISMU-UHFFFAOYSA-N 2 2 309.366 1.630 20 5 DDBDLP CCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064901 356758776 /nfs/dbraw/zinc/75/87/76/356758776.db2.gz CFRIQBDCNDIZED-ZDUSSCGKSA-N 2 2 320.393 1.997 20 5 DDBDLP CCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064901 356758780 /nfs/dbraw/zinc/75/87/80/356758780.db2.gz CFRIQBDCNDIZED-ZDUSSCGKSA-N 2 2 320.393 1.997 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000602674345 359118370 /nfs/dbraw/zinc/11/83/70/359118370.db2.gz OTLDHCUIRNMTBG-OAHLLOKOSA-N 2 2 307.394 1.574 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000602674345 359118374 /nfs/dbraw/zinc/11/83/74/359118374.db2.gz OTLDHCUIRNMTBG-OAHLLOKOSA-N 2 2 307.394 1.574 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000602891807 359275377 /nfs/dbraw/zinc/27/53/77/359275377.db2.gz PJTWDWUGTRFMPS-INIZCTEOSA-N 2 2 323.393 1.362 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000602891807 359275382 /nfs/dbraw/zinc/27/53/82/359275382.db2.gz PJTWDWUGTRFMPS-INIZCTEOSA-N 2 2 323.393 1.362 20 5 DDBDLP O=C(NC1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262515757 203315925 /nfs/dbraw/zinc/31/59/25/203315925.db2.gz RXTVGGGJGJJWSY-UHFFFAOYSA-N 2 2 315.333 1.262 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351494185 284342941 /nfs/dbraw/zinc/34/29/41/284342941.db2.gz NTQKFTYUGUMKJM-IACUBPJLSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351494185 284342944 /nfs/dbraw/zinc/34/29/44/284342944.db2.gz NTQKFTYUGUMKJM-IACUBPJLSA-N 2 2 318.377 1.511 20 5 DDBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684224 209124846 /nfs/dbraw/zinc/12/48/46/209124846.db2.gz KLFMPZWVTAARAW-OAHLLOKOSA-N 2 2 304.350 1.847 20 5 DDBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684224 209124850 /nfs/dbraw/zinc/12/48/50/209124850.db2.gz KLFMPZWVTAARAW-OAHLLOKOSA-N 2 2 304.350 1.847 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261674113 407574244 /nfs/dbraw/zinc/57/42/44/407574244.db2.gz JHVASLIZNCZIAG-IAQYHMDHSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261674113 407574251 /nfs/dbraw/zinc/57/42/51/407574251.db2.gz JHVASLIZNCZIAG-IAQYHMDHSA-N 2 2 306.366 1.593 20 5 DDBDLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261733945 407596167 /nfs/dbraw/zinc/59/61/67/407596167.db2.gz JVCVZSSLAJVDIR-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261733945 407596170 /nfs/dbraw/zinc/59/61/70/407596170.db2.gz JVCVZSSLAJVDIR-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[N@H+](C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290811723 408836776 /nfs/dbraw/zinc/83/67/76/408836776.db2.gz RFYPNWJQFDZVDJ-HNNXBMFYSA-N 2 2 316.361 1.913 20 5 DDBDLP C[N@@H+](C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290811723 408836777 /nfs/dbraw/zinc/83/67/77/408836777.db2.gz RFYPNWJQFDZVDJ-HNNXBMFYSA-N 2 2 316.361 1.913 20 5 DDBDLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078772 408975477 /nfs/dbraw/zinc/97/54/77/408975477.db2.gz FLJCKMZLTQYALI-HZPDHXFCSA-N 2 2 305.378 1.656 20 5 DDBDLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078772 408975481 /nfs/dbraw/zinc/97/54/81/408975481.db2.gz FLJCKMZLTQYALI-HZPDHXFCSA-N 2 2 305.378 1.656 20 5 DDBDLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078772 408975483 /nfs/dbraw/zinc/97/54/83/408975483.db2.gz FLJCKMZLTQYALI-HZPDHXFCSA-N 2 2 305.378 1.656 20 5 DDBDLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078772 408975486 /nfs/dbraw/zinc/97/54/86/408975486.db2.gz FLJCKMZLTQYALI-HZPDHXFCSA-N 2 2 305.378 1.656 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854862 410293970 /nfs/dbraw/zinc/29/39/70/410293970.db2.gz SADPEAIPIWQGCL-CMPLNLGQSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854862 410293975 /nfs/dbraw/zinc/29/39/75/410293975.db2.gz SADPEAIPIWQGCL-CMPLNLGQSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351858607 410296570 /nfs/dbraw/zinc/29/65/70/410296570.db2.gz BDDYDUFPIKHDRH-SDDRHHMPSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351858607 410296574 /nfs/dbraw/zinc/29/65/74/410296574.db2.gz BDDYDUFPIKHDRH-SDDRHHMPSA-N 2 2 306.366 1.591 20 5 DDBDLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414830575 419830939 /nfs/dbraw/zinc/83/09/39/419830939.db2.gz OYHCOGFRFDAJKX-NSHDSACASA-N 2 2 309.366 1.701 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430574943 420143104 /nfs/dbraw/zinc/14/31/04/420143104.db2.gz PJHVPJYDXAUDMA-CYBMUJFWSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430574943 420143110 /nfs/dbraw/zinc/14/31/10/420143110.db2.gz PJHVPJYDXAUDMA-CYBMUJFWSA-N 2 2 306.366 1.655 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000420298272 420189025 /nfs/dbraw/zinc/18/90/25/420189025.db2.gz ZUTYWVCRLGHROK-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000420298272 420189028 /nfs/dbraw/zinc/18/90/28/420189028.db2.gz ZUTYWVCRLGHROK-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420305315 420194679 /nfs/dbraw/zinc/19/46/79/420194679.db2.gz YUJPMEOBIITRON-GFCCVEGCSA-N 2 2 306.366 1.737 20 5 DDBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420305315 420194684 /nfs/dbraw/zinc/19/46/84/420194684.db2.gz YUJPMEOBIITRON-GFCCVEGCSA-N 2 2 306.366 1.737 20 5 DDBDLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124557 420247133 /nfs/dbraw/zinc/24/71/33/420247133.db2.gz DFUFHWRUKBKWQV-SWLSCSKDSA-N 2 2 307.394 1.829 20 5 DDBDLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420390878 420257398 /nfs/dbraw/zinc/25/73/98/420257398.db2.gz RMASMKMBIGLLOI-NSHDSACASA-N 2 2 324.381 1.472 20 5 DDBDLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420390878 420257400 /nfs/dbraw/zinc/25/74/00/420257400.db2.gz RMASMKMBIGLLOI-NSHDSACASA-N 2 2 324.381 1.472 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784644 420715238 /nfs/dbraw/zinc/71/52/38/420715238.db2.gz SFDVHKHNJODMRN-WDEREUQCSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784644 420715241 /nfs/dbraw/zinc/71/52/41/420715241.db2.gz SFDVHKHNJODMRN-WDEREUQCSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449589615 421033246 /nfs/dbraw/zinc/03/32/46/421033246.db2.gz KDBVSNHXIIDXCU-VHSXEESVSA-N 2 2 303.322 1.246 20 5 DDBDLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000342090775 271295259 /nfs/dbraw/zinc/29/52/59/271295259.db2.gz BWTHUQBKNWRGLW-UHFFFAOYSA-N 2 2 312.757 1.658 20 5 DDBDLP CC[C@H]([NH3+])CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472868 287931791 /nfs/dbraw/zinc/93/17/91/287931791.db2.gz QKDLOWJIUPBNEN-GXTWGEPZSA-N 2 2 303.366 1.745 20 5 DDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262458934 290267008 /nfs/dbraw/zinc/26/70/08/290267008.db2.gz IKGBQLZRIXXTPR-KGLIPLIRSA-N 2 2 304.394 1.635 20 5 DDBDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536609379 303365726 /nfs/dbraw/zinc/36/57/26/303365726.db2.gz ACOKVILHAYUQHL-AWEZNQCLSA-N 2 2 319.409 1.596 20 5 DDBDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536609379 303365729 /nfs/dbraw/zinc/36/57/29/303365729.db2.gz ACOKVILHAYUQHL-AWEZNQCLSA-N 2 2 319.409 1.596 20 5 DDBDLP O=C(CC[NH2+]CCn1cc[nH+]c1)Nc1ccccc1[N+](=O)[O-] ZINC000558380035 303767674 /nfs/dbraw/zinc/76/76/74/303767674.db2.gz HRRITWDCWVMUGB-UHFFFAOYSA-N 2 2 303.322 1.410 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377642081 307275404 /nfs/dbraw/zinc/27/54/04/307275404.db2.gz ATLWESPPBDKBTQ-NSHDSACASA-N 2 2 304.354 1.219 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377642081 307275405 /nfs/dbraw/zinc/27/54/05/307275405.db2.gz ATLWESPPBDKBTQ-NSHDSACASA-N 2 2 304.354 1.219 20 5 DDBDLP O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000238124093 490703283 /nfs/dbraw/zinc/70/32/83/490703283.db2.gz KKRLSARMFXQYPQ-GFCCVEGCSA-N 2 2 315.333 1.262 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)C2)c1 ZINC000877024793 705962929 /nfs/dbraw/zinc/96/29/29/705962929.db2.gz OKRZWAGGPPPMIK-IYXRBSQSSA-N 2 2 305.382 1.569 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)C2)c1 ZINC000877024793 705962932 /nfs/dbraw/zinc/96/29/32/705962932.db2.gz OKRZWAGGPPPMIK-IYXRBSQSSA-N 2 2 305.382 1.569 20 5 DDBDLP CCO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000905581902 712085753 /nfs/dbraw/zinc/08/57/53/712085753.db2.gz ZPCMKYYWNGWQMR-HUUCEWRRSA-N 2 2 311.382 1.185 20 5 DDBDLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167352705 733275955 /nfs/dbraw/zinc/27/59/55/733275955.db2.gz JSYMLYHINIALIG-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008121 776960463 /nfs/dbraw/zinc/96/04/63/776960463.db2.gz NCYUCUUHRJXYGK-CHWSQXEVSA-N 2 2 312.320 1.531 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155376221 862010119 /nfs/dbraw/zinc/01/01/19/862010119.db2.gz KQAKIQSQKNFLRQ-CQSZACIVSA-N 2 2 319.409 1.466 20 5 DDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985273 529801246 /nfs/dbraw/zinc/80/12/46/529801246.db2.gz TZOSZQQBOBTPFZ-JKSUJKDBSA-N 2 2 305.378 1.628 20 5 DDBDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985273 529801247 /nfs/dbraw/zinc/80/12/47/529801247.db2.gz TZOSZQQBOBTPFZ-JKSUJKDBSA-N 2 2 305.378 1.628 20 5 DDBDLP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287215538 219384950 /nfs/dbraw/zinc/38/49/50/219384950.db2.gz OBCFQJBAFFXZFY-NSHDSACASA-N 2 2 317.349 1.460 20 5 DDBDLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592486174 355596057 /nfs/dbraw/zinc/59/60/57/355596057.db2.gz XJUZOVCVKJFZHV-OCCSQVGLSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592486174 355596060 /nfs/dbraw/zinc/59/60/60/355596060.db2.gz XJUZOVCVKJFZHV-OCCSQVGLSA-N 2 2 320.393 1.901 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427569 355580036 /nfs/dbraw/zinc/58/00/36/355580036.db2.gz CGVIWRPZCDFZAN-RYUDHWBXSA-N 2 2 321.377 1.925 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427569 355580038 /nfs/dbraw/zinc/58/00/38/355580038.db2.gz CGVIWRPZCDFZAN-RYUDHWBXSA-N 2 2 321.377 1.925 20 5 DDBDLP C[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600712894 358291393 /nfs/dbraw/zinc/29/13/93/358291393.db2.gz CJGTZRJSCUAJHE-NILFDRSVSA-N 2 2 315.377 1.758 20 5 DDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000600718066 358294132 /nfs/dbraw/zinc/29/41/32/358294132.db2.gz VDFHWJWLWFKZIH-UHFFFAOYSA-N 2 2 310.354 1.213 20 5 DDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000600718066 358294136 /nfs/dbraw/zinc/29/41/36/358294136.db2.gz VDFHWJWLWFKZIH-UHFFFAOYSA-N 2 2 310.354 1.213 20 5 DDBDLP Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602488145 359012273 /nfs/dbraw/zinc/01/22/73/359012273.db2.gz SKAOFMDZLPETNX-HZSPNIEDSA-N 2 2 323.397 1.012 20 5 DDBDLP Cn1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602488145 359012277 /nfs/dbraw/zinc/01/22/77/359012277.db2.gz SKAOFMDZLPETNX-HZSPNIEDSA-N 2 2 323.397 1.012 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000602793822 359196315 /nfs/dbraw/zinc/19/63/15/359196315.db2.gz RTNOAKCKXHIAGD-UHFFFAOYSA-N 2 2 304.354 1.702 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000602801060 359201542 /nfs/dbraw/zinc/20/15/42/359201542.db2.gz ZEVHXBSCRDZPDM-UHFFFAOYSA-N 2 2 307.398 1.660 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000602801060 359201546 /nfs/dbraw/zinc/20/15/46/359201546.db2.gz ZEVHXBSCRDZPDM-UHFFFAOYSA-N 2 2 307.398 1.660 20 5 DDBDLP Cc1[nH+]ccn1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352675266 285217018 /nfs/dbraw/zinc/21/70/18/285217018.db2.gz FOYAEJPSPBBGFR-UHFFFAOYSA-N 2 2 302.334 1.994 20 5 DDBDLP Cc1[nH+]ccn1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352675266 285217022 /nfs/dbraw/zinc/21/70/22/285217022.db2.gz FOYAEJPSPBBGFR-UHFFFAOYSA-N 2 2 302.334 1.994 20 5 DDBDLP CC(C)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178872489 407637082 /nfs/dbraw/zinc/63/70/82/407637082.db2.gz FIBJWJLYYFLOLV-UHFFFAOYSA-N 2 2 303.322 1.248 20 5 DDBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820970 407648453 /nfs/dbraw/zinc/64/84/53/407648453.db2.gz ZDLAJTJCQAGOIE-IUODEOHRSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820970 407648457 /nfs/dbraw/zinc/64/84/57/407648457.db2.gz ZDLAJTJCQAGOIE-IUODEOHRSA-N 2 2 320.393 1.585 20 5 DDBDLP C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237343272 407816688 /nfs/dbraw/zinc/81/66/88/407816688.db2.gz GWTQXMKGUBLYLW-LLVKDONJSA-N 2 2 317.349 1.366 20 5 DDBDLP COCC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264551464 408532511 /nfs/dbraw/zinc/53/25/11/408532511.db2.gz CUIMAOXLHDTCTD-DRDHIDPGSA-N 2 2 305.378 1.918 20 5 DDBDLP COCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264551464 408532517 /nfs/dbraw/zinc/53/25/17/408532517.db2.gz CUIMAOXLHDTCTD-DRDHIDPGSA-N 2 2 305.378 1.918 20 5 DDBDLP C[NH+](C[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289306650 409245951 /nfs/dbraw/zinc/24/59/51/409245951.db2.gz ATAPEEKYMCFMHU-OAHLLOKOSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](C[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289306650 409245953 /nfs/dbraw/zinc/24/59/53/409245953.db2.gz ATAPEEKYMCFMHU-OAHLLOKOSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289306650 409245954 /nfs/dbraw/zinc/24/59/54/409245954.db2.gz ATAPEEKYMCFMHU-OAHLLOKOSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289306650 409245956 /nfs/dbraw/zinc/24/59/56/409245956.db2.gz ATAPEEKYMCFMHU-OAHLLOKOSA-N 2 2 307.394 1.524 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357069005 409836553 /nfs/dbraw/zinc/83/65/53/409836553.db2.gz FASJPSDLOUNNQJ-JHJVBQTASA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357069005 409836561 /nfs/dbraw/zinc/83/65/61/409836561.db2.gz FASJPSDLOUNNQJ-JHJVBQTASA-N 2 2 318.377 1.463 20 5 DDBDLP COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000422936394 227268290 /nfs/dbraw/zinc/26/82/90/227268290.db2.gz BNIXBNRPQNYNGA-HZPDHXFCSA-N 2 2 321.377 1.460 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000430568987 420141757 /nfs/dbraw/zinc/14/17/57/420141757.db2.gz HVEJQRKYBVUEHO-CQSZACIVSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000430568987 420141760 /nfs/dbraw/zinc/14/17/60/420141760.db2.gz HVEJQRKYBVUEHO-CQSZACIVSA-N 2 2 320.393 1.916 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430632661 420164482 /nfs/dbraw/zinc/16/44/82/420164482.db2.gz YYPGQPPJNQPLNU-NWDGAFQWSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430632661 420164486 /nfs/dbraw/zinc/16/44/86/420164486.db2.gz YYPGQPPJNQPLNU-NWDGAFQWSA-N 2 2 306.366 1.593 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430630555 420164641 /nfs/dbraw/zinc/16/46/41/420164641.db2.gz YXEAAXDEPTUKJT-GFCCVEGCSA-N 2 2 306.366 1.512 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430630555 420164647 /nfs/dbraw/zinc/16/46/47/420164647.db2.gz YXEAAXDEPTUKJT-GFCCVEGCSA-N 2 2 306.366 1.512 20 5 DDBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965438 420226949 /nfs/dbraw/zinc/22/69/49/420226949.db2.gz JKWVNHPMLGVLRU-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965438 420226953 /nfs/dbraw/zinc/22/69/53/420226953.db2.gz JKWVNHPMLGVLRU-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420382012 420251735 /nfs/dbraw/zinc/25/17/35/420251735.db2.gz PKOALTIUWNKQKX-FRRDWIJNSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420382012 420251740 /nfs/dbraw/zinc/25/17/40/420251740.db2.gz PKOALTIUWNKQKX-FRRDWIJNSA-N 2 2 320.393 1.839 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562743618 421409374 /nfs/dbraw/zinc/40/93/74/421409374.db2.gz DCNKVLCQVSDNFE-GFCCVEGCSA-N 2 2 307.354 1.010 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000582368111 326020664 /nfs/dbraw/zinc/02/06/64/326020664.db2.gz VQYAXIPHHXFKIJ-UHFFFAOYSA-N 2 2 305.313 1.779 20 5 DDBDLP C[C@@H](C[NH3+])[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435388567 533789629 /nfs/dbraw/zinc/78/96/29/533789629.db2.gz GNNLZHZSUNFQJH-NSHDSACASA-N 2 2 303.366 1.774 20 5 DDBDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435388567 533789641 /nfs/dbraw/zinc/78/96/41/533789641.db2.gz GNNLZHZSUNFQJH-NSHDSACASA-N 2 2 303.366 1.774 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902446347 710756695 /nfs/dbraw/zinc/75/66/95/710756695.db2.gz OGVQTRVYHKYBEY-BXUZGUMPSA-N 2 2 320.393 1.900 20 5 DDBDLP CCO[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405733653 354679572 /nfs/dbraw/zinc/67/95/72/354679572.db2.gz XMRLDUWKYPRPHG-IUODEOHRSA-N 2 2 309.366 1.399 20 5 DDBDLP CCO[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405733653 354679573 /nfs/dbraw/zinc/67/95/73/354679573.db2.gz XMRLDUWKYPRPHG-IUODEOHRSA-N 2 2 309.366 1.399 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCC[NH2+]C1)OCCO2 ZINC000591275595 355275256 /nfs/dbraw/zinc/27/52/56/355275256.db2.gz IFWHHDFQKKPPQK-NSHDSACASA-N 2 2 307.350 1.455 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571063 360326401 /nfs/dbraw/zinc/32/64/01/360326401.db2.gz MPRYIBUDMAUPJL-GFCCVEGCSA-N 2 2 305.382 1.570 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571063 360326404 /nfs/dbraw/zinc/32/64/04/360326404.db2.gz MPRYIBUDMAUPJL-GFCCVEGCSA-N 2 2 305.382 1.570 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423578397 285161413 /nfs/dbraw/zinc/16/14/13/285161413.db2.gz UMOOUDSFUODQGW-LSDHHAIUSA-N 2 2 305.378 1.494 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423578396 285161480 /nfs/dbraw/zinc/16/14/80/285161480.db2.gz UMOOUDSFUODQGW-HUUCEWRRSA-N 2 2 305.378 1.494 20 5 DDBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000013694375 406865933 /nfs/dbraw/zinc/86/59/33/406865933.db2.gz PNAALWOGUBCTBX-UHFFFAOYSA-N 2 2 301.350 1.651 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261748890 407601348 /nfs/dbraw/zinc/60/13/48/407601348.db2.gz LQLUOODQOUXLGC-GFCCVEGCSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261748890 407601351 /nfs/dbraw/zinc/60/13/51/407601351.db2.gz LQLUOODQOUXLGC-GFCCVEGCSA-N 2 2 306.366 1.607 20 5 DDBDLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178069960 408768886 /nfs/dbraw/zinc/76/88/86/408768886.db2.gz JIEYTQFRNGMIJP-OAHLLOKOSA-N 2 2 320.393 1.410 20 5 DDBDLP C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1cc[nH+]c1 ZINC000129820508 196078133 /nfs/dbraw/zinc/07/81/33/196078133.db2.gz DBNCRLPUSOSBBL-STQMWFEESA-N 2 2 304.354 1.571 20 5 DDBDLP C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1cc[nH+]c1 ZINC000129820508 196078135 /nfs/dbraw/zinc/07/81/35/196078135.db2.gz DBNCRLPUSOSBBL-STQMWFEESA-N 2 2 304.354 1.571 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029341 418569806 /nfs/dbraw/zinc/56/98/06/418569806.db2.gz AOUGICQIIVVVPA-LBPRGKRZSA-N 2 2 305.382 1.570 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029341 418569809 /nfs/dbraw/zinc/56/98/09/418569809.db2.gz AOUGICQIIVVVPA-LBPRGKRZSA-N 2 2 305.382 1.570 20 5 DDBDLP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)C[NH3+] ZINC000415055067 419926231 /nfs/dbraw/zinc/92/62/31/419926231.db2.gz MFXYOYPRZDCNKE-NSHDSACASA-N 2 2 305.334 1.606 20 5 DDBDLP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)C[NH3+] ZINC000415055067 419926239 /nfs/dbraw/zinc/92/62/39/419926239.db2.gz MFXYOYPRZDCNKE-NSHDSACASA-N 2 2 305.334 1.606 20 5 DDBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430567826 420140589 /nfs/dbraw/zinc/14/05/89/420140589.db2.gz VCEBSAOEWDUEBQ-OAHLLOKOSA-N 2 2 322.409 1.863 20 5 DDBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430567826 420140592 /nfs/dbraw/zinc/14/05/92/420140592.db2.gz VCEBSAOEWDUEBQ-OAHLLOKOSA-N 2 2 322.409 1.863 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430951925 420221738 /nfs/dbraw/zinc/22/17/38/420221738.db2.gz NNQGMSFCCYMVAO-LBPRGKRZSA-N 2 2 306.366 1.099 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430951925 420221739 /nfs/dbraw/zinc/22/17/39/420221739.db2.gz NNQGMSFCCYMVAO-LBPRGKRZSA-N 2 2 306.366 1.099 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449398919 274231423 /nfs/dbraw/zinc/23/14/23/274231423.db2.gz WYNKDZYNDPHJBG-HOCLYGCPSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449398919 274231425 /nfs/dbraw/zinc/23/14/25/274231425.db2.gz WYNKDZYNDPHJBG-HOCLYGCPSA-N 2 2 321.421 1.962 20 5 DDBDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887495 307052408 /nfs/dbraw/zinc/05/24/08/307052408.db2.gz JEHNEPJRDCNOHA-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887495 307052409 /nfs/dbraw/zinc/05/24/09/307052409.db2.gz JEHNEPJRDCNOHA-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576033 701898459 /nfs/dbraw/zinc/89/84/59/701898459.db2.gz HKIVUIJNQFUYRK-FPMFFAJLSA-N 2 2 320.393 1.691 20 5 DDBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576033 701898464 /nfs/dbraw/zinc/89/84/64/701898464.db2.gz HKIVUIJNQFUYRK-FPMFFAJLSA-N 2 2 320.393 1.691 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571938 706722085 /nfs/dbraw/zinc/72/20/85/706722085.db2.gz USADZQFHIBHPLU-CZUORRHYSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571938 706722086 /nfs/dbraw/zinc/72/20/86/706722086.db2.gz USADZQFHIBHPLU-CZUORRHYSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571938 706722087 /nfs/dbraw/zinc/72/20/87/706722087.db2.gz USADZQFHIBHPLU-CZUORRHYSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571938 706722088 /nfs/dbraw/zinc/72/20/88/706722088.db2.gz USADZQFHIBHPLU-CZUORRHYSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580630 706727193 /nfs/dbraw/zinc/72/71/93/706727193.db2.gz IPUKDFVUHYLSFV-VNQPRFMTSA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580630 706727195 /nfs/dbraw/zinc/72/71/95/706727195.db2.gz IPUKDFVUHYLSFV-VNQPRFMTSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580630 706727196 /nfs/dbraw/zinc/72/71/96/706727196.db2.gz IPUKDFVUHYLSFV-VNQPRFMTSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580630 706727197 /nfs/dbraw/zinc/72/71/97/706727197.db2.gz IPUKDFVUHYLSFV-VNQPRFMTSA-N 2 2 305.378 1.654 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000818959296 704035511 /nfs/dbraw/zinc/03/55/11/704035511.db2.gz HQCBESFHOLHNNH-HRCADAONSA-N 2 2 305.378 1.845 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000818959296 704035512 /nfs/dbraw/zinc/03/55/12/704035512.db2.gz HQCBESFHOLHNNH-HRCADAONSA-N 2 2 305.378 1.845 20 5 DDBDLP C[C@H]1CCC[N@H+](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876931311 705929233 /nfs/dbraw/zinc/92/92/33/705929233.db2.gz LITSSAIEPWGUCU-HSBZDZAISA-N 2 2 307.398 1.816 20 5 DDBDLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876931311 705929236 /nfs/dbraw/zinc/92/92/36/705929236.db2.gz LITSSAIEPWGUCU-HSBZDZAISA-N 2 2 307.398 1.816 20 5 DDBDLP CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923287726 714298191 /nfs/dbraw/zinc/29/81/91/714298191.db2.gz VYEPHGZWBAPTHU-GJZGRUSLSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923287726 714298193 /nfs/dbraw/zinc/29/81/93/714298193.db2.gz VYEPHGZWBAPTHU-GJZGRUSLSA-N 2 2 323.393 1.408 20 5 DDBDLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177405896 778582634 /nfs/dbraw/zinc/58/26/34/778582634.db2.gz RKSKXWSXGLYEGS-UHFFFAOYSA-N 2 2 317.349 1.087 20 5 DDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000589499954 354997011 /nfs/dbraw/zinc/99/70/11/354997011.db2.gz LSAOMFLDLGDMJM-LBPRGKRZSA-N 2 2 321.377 1.765 20 5 DDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000589499954 354997013 /nfs/dbraw/zinc/99/70/13/354997013.db2.gz LSAOMFLDLGDMJM-LBPRGKRZSA-N 2 2 321.377 1.765 20 5 DDBDLP CCOc1ccc(NC(=O)C[N@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473922 355593612 /nfs/dbraw/zinc/59/36/12/355593612.db2.gz VIJTVOUOXTYAFB-UHFFFAOYSA-N 2 2 310.354 1.213 20 5 DDBDLP CCOc1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473922 355593615 /nfs/dbraw/zinc/59/36/15/355593615.db2.gz VIJTVOUOXTYAFB-UHFFFAOYSA-N 2 2 310.354 1.213 20 5 DDBDLP CC1([NH3+])CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000592485010 355596485 /nfs/dbraw/zinc/59/64/85/355596485.db2.gz NFNMMRDEZANSPK-CQSZACIVSA-N 2 2 318.377 1.513 20 5 DDBDLP Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990171 357408145 /nfs/dbraw/zinc/40/81/45/357408145.db2.gz PRIXHTJFNHILHU-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990171 357408149 /nfs/dbraw/zinc/40/81/49/357408149.db2.gz PRIXHTJFNHILHU-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1c(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000602891431 359274560 /nfs/dbraw/zinc/27/45/60/359274560.db2.gz MWUGXIZFTGHHMH-MRXNPFEDSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1c(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000602891431 359274565 /nfs/dbraw/zinc/27/45/65/359274565.db2.gz MWUGXIZFTGHHMH-MRXNPFEDSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351494184 284342883 /nfs/dbraw/zinc/34/28/83/284342883.db2.gz NTQKFTYUGUMKJM-FPMFFAJLSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351494184 284342884 /nfs/dbraw/zinc/34/28/84/284342884.db2.gz NTQKFTYUGUMKJM-FPMFFAJLSA-N 2 2 318.377 1.511 20 5 DDBDLP [NH3+]CC[N@@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000261690038 407580658 /nfs/dbraw/zinc/58/06/58/407580658.db2.gz DZAIYGFEQFAHQB-UHFFFAOYSA-N 2 2 303.366 1.295 20 5 DDBDLP [NH3+]CC[N@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000261690038 407580662 /nfs/dbraw/zinc/58/06/62/407580662.db2.gz DZAIYGFEQFAHQB-UHFFFAOYSA-N 2 2 303.366 1.295 20 5 DDBDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000134708993 162085267 /nfs/dbraw/zinc/08/52/67/162085267.db2.gz IZMWMRJFHTVUOP-ZDUSSCGKSA-N 2 2 307.398 1.740 20 5 DDBDLP C[C@H]1CCC[N@H+]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000134708993 162085270 /nfs/dbraw/zinc/08/52/70/162085270.db2.gz IZMWMRJFHTVUOP-ZDUSSCGKSA-N 2 2 307.398 1.740 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000332177325 409949153 /nfs/dbraw/zinc/94/91/53/409949153.db2.gz XOBYQWQEPUURIO-UHFFFAOYSA-N 2 2 307.398 1.742 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840929 410189835 /nfs/dbraw/zinc/18/98/35/410189835.db2.gz GJFLINIBJVSNQG-UHTWSYAYSA-N 2 2 321.377 1.781 20 5 DDBDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840929 410189843 /nfs/dbraw/zinc/18/98/43/410189843.db2.gz GJFLINIBJVSNQG-UHTWSYAYSA-N 2 2 321.377 1.781 20 5 DDBDLP O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422786652 227177026 /nfs/dbraw/zinc/17/70/26/227177026.db2.gz LBZGHCQZSDQBGL-HZPDHXFCSA-N 2 2 305.378 1.494 20 5 DDBDLP CCC[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423311746 420008394 /nfs/dbraw/zinc/00/83/94/420008394.db2.gz QHPFODYVPRIKSC-GFCCVEGCSA-N 2 2 308.382 1.901 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423341950 420018619 /nfs/dbraw/zinc/01/86/19/420018619.db2.gz YIVOKOKZUPSXDY-AWEZNQCLSA-N 2 2 315.377 1.889 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430550979 420132929 /nfs/dbraw/zinc/13/29/29/420132929.db2.gz HHQNXUWWDBOFFY-ZDUSSCGKSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000430550979 420132933 /nfs/dbraw/zinc/13/29/33/420132933.db2.gz HHQNXUWWDBOFFY-ZDUSSCGKSA-N 2 2 306.366 1.655 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430564487 420138528 /nfs/dbraw/zinc/13/85/28/420138528.db2.gz BHZRMUFJGIGRDO-AVGNSLFASA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430564487 420138532 /nfs/dbraw/zinc/13/85/32/420138532.db2.gz BHZRMUFJGIGRDO-AVGNSLFASA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430605986 420156533 /nfs/dbraw/zinc/15/65/33/420156533.db2.gz UCUVPKWSSUWJQE-VXGBXAGGSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430605986 420156535 /nfs/dbraw/zinc/15/65/35/420156535.db2.gz UCUVPKWSSUWJQE-VXGBXAGGSA-N 2 2 306.366 1.593 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420370828 420242810 /nfs/dbraw/zinc/24/28/10/420242810.db2.gz CXARTFMMCYLMSP-WCQYABFASA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420370828 420242814 /nfs/dbraw/zinc/24/28/14/420242814.db2.gz CXARTFMMCYLMSP-WCQYABFASA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420388140 420255358 /nfs/dbraw/zinc/25/53/58/420255358.db2.gz WVDLBGYPTPKVRN-DGCLKSJQSA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420388140 420255359 /nfs/dbraw/zinc/25/53/59/420255359.db2.gz WVDLBGYPTPKVRN-DGCLKSJQSA-N 2 2 320.393 1.758 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765051 420712558 /nfs/dbraw/zinc/71/25/58/420712558.db2.gz ITKCSJFJZJSVFG-GRYCIOLGSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765051 420712559 /nfs/dbraw/zinc/71/25/59/420712559.db2.gz ITKCSJFJZJSVFG-GRYCIOLGSA-N 2 2 306.366 1.591 20 5 DDBDLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000449388859 421004645 /nfs/dbraw/zinc/00/46/45/421004645.db2.gz BLIRAJAIMGUPEY-HNNXBMFYSA-N 2 2 307.394 1.840 20 5 DDBDLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000449388859 421004648 /nfs/dbraw/zinc/00/46/48/421004648.db2.gz BLIRAJAIMGUPEY-HNNXBMFYSA-N 2 2 307.394 1.840 20 5 DDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000560267416 303802747 /nfs/dbraw/zinc/80/27/47/303802747.db2.gz CEESBBYVOYCUGR-CQSZACIVSA-N 2 2 320.349 1.211 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866785 706519894 /nfs/dbraw/zinc/51/98/94/706519894.db2.gz XDYCIBUPOHDUAF-CVEARBPZSA-N 2 2 323.393 1.017 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866785 706519897 /nfs/dbraw/zinc/51/98/97/706519897.db2.gz XDYCIBUPOHDUAF-CVEARBPZSA-N 2 2 323.393 1.017 20 5 DDBDLP Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892154115 710382454 /nfs/dbraw/zinc/38/24/54/710382454.db2.gz VUGATXQQNRNJIW-UHFFFAOYSA-N 2 2 322.413 1.299 20 5 DDBDLP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC000903807525 711286709 /nfs/dbraw/zinc/28/67/09/711286709.db2.gz HJNUQTINRPRRCN-UHFFFAOYSA-N 2 2 309.366 1.413 20 5 DDBDLP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC000903807525 711286710 /nfs/dbraw/zinc/28/67/10/711286710.db2.gz HJNUQTINRPRRCN-UHFFFAOYSA-N 2 2 309.366 1.413 20 5 DDBDLP C[NH2+]C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000923286061 714297790 /nfs/dbraw/zinc/29/77/90/714297790.db2.gz GSOOBVIPLSQJSH-AWEZNQCLSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527910 359027426 /nfs/dbraw/zinc/02/74/26/359027426.db2.gz JOSSDVORAAVEQD-CQSZACIVSA-N 2 2 319.409 1.642 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527910 359027429 /nfs/dbraw/zinc/02/74/29/359027429.db2.gz JOSSDVORAAVEQD-CQSZACIVSA-N 2 2 319.409 1.642 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565176 363676816 /nfs/dbraw/zinc/67/68/16/363676816.db2.gz GCTIJXKZWIDRME-BFHYXJOUSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565176 363676820 /nfs/dbraw/zinc/67/68/20/363676820.db2.gz GCTIJXKZWIDRME-BFHYXJOUSA-N 2 2 307.398 1.959 20 5 DDBDLP [NH3+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000237797919 202357534 /nfs/dbraw/zinc/35/75/34/202357534.db2.gz MKXBFNOEJSNWNJ-GFCCVEGCSA-N 2 2 315.333 1.248 20 5 DDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)n1 ZINC000351491444 284340751 /nfs/dbraw/zinc/34/07/51/284340751.db2.gz GXAHMTHUUKQDLM-STQMWFEESA-N 2 2 304.354 1.761 20 5 DDBDLP C[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120942839 195268364 /nfs/dbraw/zinc/26/83/64/195268364.db2.gz LDHBJDXTFOMTHR-UHFFFAOYSA-N 2 2 303.322 1.120 20 5 DDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000107372364 407374213 /nfs/dbraw/zinc/37/42/13/407374213.db2.gz ATFXWJPTVAJSEM-AWEZNQCLSA-N 2 2 324.450 1.868 20 5 DDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000107372364 407374215 /nfs/dbraw/zinc/37/42/15/407374215.db2.gz ATFXWJPTVAJSEM-AWEZNQCLSA-N 2 2 324.450 1.868 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864492 410304328 /nfs/dbraw/zinc/30/43/28/410304328.db2.gz YIICHPTVCPBMDO-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351864492 410304333 /nfs/dbraw/zinc/30/43/33/410304333.db2.gz YIICHPTVCPBMDO-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131448186 196170079 /nfs/dbraw/zinc/17/00/79/196170079.db2.gz FNBYQVPKCAEJNG-HNNXBMFYSA-N 2 2 311.382 1.396 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430550925 420134382 /nfs/dbraw/zinc/13/43/82/420134382.db2.gz PBBYGGOGHFCCOO-UHFFFAOYSA-N 2 2 324.381 1.459 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430550925 420134388 /nfs/dbraw/zinc/13/43/88/420134388.db2.gz PBBYGGOGHFCCOO-UHFFFAOYSA-N 2 2 324.381 1.459 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917292 420203939 /nfs/dbraw/zinc/20/39/39/420203939.db2.gz JMJZLGDZPVYVJC-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917292 420203941 /nfs/dbraw/zinc/20/39/41/420203941.db2.gz JMJZLGDZPVYVJC-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930975 420211568 /nfs/dbraw/zinc/21/15/68/420211568.db2.gz BUMSEVCOLCYLGO-RYUDHWBXSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930975 420211570 /nfs/dbraw/zinc/21/15/70/420211570.db2.gz BUMSEVCOLCYLGO-RYUDHWBXSA-N 2 2 306.366 1.463 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430578815 420147232 /nfs/dbraw/zinc/14/72/32/420147232.db2.gz FRQPCJCWWKIWLQ-STQMWFEESA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430578815 420147236 /nfs/dbraw/zinc/14/72/36/420147236.db2.gz FRQPCJCWWKIWLQ-STQMWFEESA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442791008 420716027 /nfs/dbraw/zinc/71/60/27/420716027.db2.gz MYKHBLNOFQWVGK-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442791008 420716032 /nfs/dbraw/zinc/71/60/32/420716032.db2.gz MYKHBLNOFQWVGK-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572194387 421768568 /nfs/dbraw/zinc/76/85/68/421768568.db2.gz XYPCWAOPYOGXJE-UHFFFAOYSA-N 2 2 317.349 1.519 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420357717 302384411 /nfs/dbraw/zinc/38/44/11/302384411.db2.gz SPVFOXFEDIOAOP-AAEUAGOBSA-N 2 2 306.366 1.653 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420357717 302384413 /nfs/dbraw/zinc/38/44/13/302384413.db2.gz SPVFOXFEDIOAOP-AAEUAGOBSA-N 2 2 306.366 1.653 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000531970540 303268271 /nfs/dbraw/zinc/26/82/71/303268271.db2.gz CRTUHCUNKJGXHM-HIFRSBDPSA-N 2 2 306.410 1.800 20 5 DDBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367090194 307085516 /nfs/dbraw/zinc/08/55/16/307085516.db2.gz VZMBTHBYAXXROO-LBPRGKRZSA-N 2 2 318.381 1.517 20 5 DDBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367090194 307085517 /nfs/dbraw/zinc/08/55/17/307085517.db2.gz VZMBTHBYAXXROO-LBPRGKRZSA-N 2 2 318.381 1.517 20 5 DDBDLP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843344935 702863457 /nfs/dbraw/zinc/86/34/57/702863457.db2.gz HOFKMTZJGJJBAT-UHFFFAOYSA-N 2 2 310.329 1.358 20 5 DDBDLP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000843344935 702863459 /nfs/dbraw/zinc/86/34/59/702863459.db2.gz HOFKMTZJGJJBAT-UHFFFAOYSA-N 2 2 310.329 1.358 20 5 DDBDLP CC(C)[NH+]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870863486 704148703 /nfs/dbraw/zinc/14/87/03/704148703.db2.gz KGUUVMHNFMOROR-MRXNPFEDSA-N 2 2 320.393 1.321 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000897229714 708262799 /nfs/dbraw/zinc/26/27/99/708262799.db2.gz WENIIUNWGFJRLG-KRWDZBQOSA-N 2 2 319.405 1.980 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000897229714 708262800 /nfs/dbraw/zinc/26/28/00/708262800.db2.gz WENIIUNWGFJRLG-KRWDZBQOSA-N 2 2 319.405 1.980 20 5 DDBDLP C[NH+]1C[C@@]2(C)C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000931311824 714062362 /nfs/dbraw/zinc/06/23/62/714062362.db2.gz PQEPZGCCPZGLNW-HOTGVXAUSA-N 2 2 320.393 1.030 20 5 DDBDLP C[NH+](C)CC1(O)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000931485234 714108862 /nfs/dbraw/zinc/10/88/62/714108862.db2.gz AQBDMTRGRFMMHU-UHFFFAOYSA-N 2 2 311.357 1.622 20 5 DDBDLP Cc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158260239 864524465 /nfs/dbraw/zinc/52/44/65/864524465.db2.gz ZCADECPPQQOHKN-GFCCVEGCSA-N 2 2 305.382 1.300 20 5 DDBDLP Cc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158260239 864524473 /nfs/dbraw/zinc/52/44/73/864524473.db2.gz ZCADECPPQQOHKN-GFCCVEGCSA-N 2 2 305.382 1.300 20 5 DDBDLP COc1ccnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164206993 869013668 /nfs/dbraw/zinc/01/36/68/869013668.db2.gz OYELXHSGAFMNOC-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997794 869251160 /nfs/dbraw/zinc/25/11/60/869251160.db2.gz MNKJEBAZDVZZEZ-CABCVRRESA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997794 869251171 /nfs/dbraw/zinc/25/11/71/869251171.db2.gz MNKJEBAZDVZZEZ-CABCVRRESA-N 2 2 323.393 1.408 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000591275594 355275404 /nfs/dbraw/zinc/27/54/04/355275404.db2.gz IFWHHDFQKKPPQK-LLVKDONJSA-N 2 2 307.350 1.455 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)OCCO2 ZINC000592432666 355582134 /nfs/dbraw/zinc/58/21/34/355582134.db2.gz KOYLXJISYKRYTL-MRXNPFEDSA-N 2 2 319.361 1.551 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@]3(CC[NH2+]C3)C1)OCCO2 ZINC000592432666 355582139 /nfs/dbraw/zinc/58/21/39/355582139.db2.gz KOYLXJISYKRYTL-MRXNPFEDSA-N 2 2 319.361 1.551 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428714 355580151 /nfs/dbraw/zinc/58/01/51/355580151.db2.gz PVQMLCOXXJCMIP-MNOVXSKESA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428714 355580154 /nfs/dbraw/zinc/58/01/54/355580154.db2.gz PVQMLCOXXJCMIP-MNOVXSKESA-N 2 2 307.350 1.535 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867505 356684547 /nfs/dbraw/zinc/68/45/47/356684547.db2.gz NOESAXJUQZPLHU-INIZCTEOSA-N 2 2 305.378 1.626 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867505 356684550 /nfs/dbraw/zinc/68/45/50/356684550.db2.gz NOESAXJUQZPLHU-INIZCTEOSA-N 2 2 305.378 1.626 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000596424291 356875150 /nfs/dbraw/zinc/87/51/50/356875150.db2.gz GMUVCJXSEILSBE-UHFFFAOYSA-N 2 2 315.805 1.939 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000596424291 356875155 /nfs/dbraw/zinc/87/51/55/356875155.db2.gz GMUVCJXSEILSBE-UHFFFAOYSA-N 2 2 315.805 1.939 20 5 DDBDLP Cc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000352701209 285238882 /nfs/dbraw/zinc/23/88/82/285238882.db2.gz GHKNJDYRXAUWBB-OAHLLOKOSA-N 2 2 304.394 1.383 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261663144 407571296 /nfs/dbraw/zinc/57/12/96/407571296.db2.gz IKXDHGZTFKZTPR-IAQYHMDHSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261663144 407571305 /nfs/dbraw/zinc/57/13/05/407571305.db2.gz IKXDHGZTFKZTPR-IAQYHMDHSA-N 2 2 306.366 1.593 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261871354 407651623 /nfs/dbraw/zinc/65/16/23/407651623.db2.gz SZWBJNFPADOTIQ-HNNXBMFYSA-N 2 2 306.366 1.512 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261871354 407651627 /nfs/dbraw/zinc/65/16/27/407651627.db2.gz SZWBJNFPADOTIQ-HNNXBMFYSA-N 2 2 306.366 1.512 20 5 DDBDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178068697 408768159 /nfs/dbraw/zinc/76/81/59/408768159.db2.gz JVZRSLXNAMRVDA-GFCCVEGCSA-N 2 2 306.366 1.019 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000348436391 410965447 /nfs/dbraw/zinc/96/54/47/410965447.db2.gz XAPVYDDDEMQCPJ-AWEZNQCLSA-N 2 2 303.366 1.569 20 5 DDBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)o2)cc1 ZINC000415096420 419940252 /nfs/dbraw/zinc/94/02/52/419940252.db2.gz PTEWGVXIPQHWRK-OAHLLOKOSA-N 2 2 317.345 1.933 20 5 DDBDLP Cc1cc(NCC[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420154418 420136087 /nfs/dbraw/zinc/13/60/87/420136087.db2.gz IPOFYHZNFDKJMZ-SNVBAGLBSA-N 2 2 301.350 1.931 20 5 DDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420375163 420245120 /nfs/dbraw/zinc/24/51/20/420245120.db2.gz SSIHHPBKSPFSLJ-UEKVPHQBSA-N 2 2 306.366 1.509 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442791003 420715116 /nfs/dbraw/zinc/71/51/16/420715116.db2.gz MYKHBLNOFQWVGK-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442791003 420715120 /nfs/dbraw/zinc/71/51/20/420715120.db2.gz MYKHBLNOFQWVGK-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385833 421001802 /nfs/dbraw/zinc/00/18/02/421001802.db2.gz GVKNBPFMVLSPEX-GOEBONIOSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385833 421001805 /nfs/dbraw/zinc/00/18/05/421001805.db2.gz GVKNBPFMVLSPEX-GOEBONIOSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000430572768 280139998 /nfs/dbraw/zinc/13/99/98/280139998.db2.gz OSNXVDIACXSQTJ-MRXNPFEDSA-N 2 2 318.377 1.201 20 5 DDBDLP C[C@H](C[NH3+])C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313203 298530226 /nfs/dbraw/zinc/53/02/26/298530226.db2.gz WJMJQOFMRIFMPD-RISCZKNCSA-N 2 2 303.366 1.602 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423326831 303003990 /nfs/dbraw/zinc/00/39/90/303003990.db2.gz MKVGUBNLCYKGDC-CQSZACIVSA-N 2 2 315.377 1.889 20 5 DDBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367090193 307085424 /nfs/dbraw/zinc/08/54/24/307085424.db2.gz VZMBTHBYAXXROO-GFCCVEGCSA-N 2 2 318.381 1.517 20 5 DDBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367090193 307085425 /nfs/dbraw/zinc/08/54/25/307085425.db2.gz VZMBTHBYAXXROO-GFCCVEGCSA-N 2 2 318.381 1.517 20 5 DDBDLP O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000573675779 308248340 /nfs/dbraw/zinc/24/83/40/308248340.db2.gz FZXGMESVBOXVQR-HZPDHXFCSA-N 2 2 321.377 1.330 20 5 DDBDLP C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000412394177 534041102 /nfs/dbraw/zinc/04/11/02/534041102.db2.gz MGSHJWQMSHXMGG-NSHDSACASA-N 2 2 317.349 1.460 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061710 702810664 /nfs/dbraw/zinc/81/06/64/702810664.db2.gz HKAGICAJLDDELP-JKSUJKDBSA-N 2 2 323.393 1.065 20 5 DDBDLP C[N@@H+]1CC[C@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572789 706722541 /nfs/dbraw/zinc/72/25/41/706722541.db2.gz RIDSMFZWWURFQI-BBRMVZONSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572789 706722543 /nfs/dbraw/zinc/72/25/43/706722543.db2.gz RIDSMFZWWURFQI-BBRMVZONSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572789 706722545 /nfs/dbraw/zinc/72/25/45/706722545.db2.gz RIDSMFZWWURFQI-BBRMVZONSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572789 706722546 /nfs/dbraw/zinc/72/25/46/706722546.db2.gz RIDSMFZWWURFQI-BBRMVZONSA-N 2 2 305.378 2.000 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000818986350 704043213 /nfs/dbraw/zinc/04/32/13/704043213.db2.gz MDRQUWGJTPBOFQ-ARFHVFGLSA-N 2 2 321.377 1.081 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000818986350 704043216 /nfs/dbraw/zinc/04/32/16/704043216.db2.gz MDRQUWGJTPBOFQ-ARFHVFGLSA-N 2 2 321.377 1.081 20 5 DDBDLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242081 879875157 /nfs/dbraw/zinc/87/51/57/879875157.db2.gz LCWWDTNASGXJFY-RBSFLKMASA-N 2 2 307.394 1.947 20 5 DDBDLP C[C@H]1C[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000090551642 185302775 /nfs/dbraw/zinc/30/27/75/185302775.db2.gz NNRGUYRPHWFPJU-STQMWFEESA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@H]1C[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000090551642 185302776 /nfs/dbraw/zinc/30/27/76/185302776.db2.gz NNRGUYRPHWFPJU-STQMWFEESA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[NH+]1C ZINC000090551642 185302777 /nfs/dbraw/zinc/30/27/77/185302777.db2.gz NNRGUYRPHWFPJU-STQMWFEESA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[NH+]1C ZINC000090551642 185302778 /nfs/dbraw/zinc/30/27/78/185302778.db2.gz NNRGUYRPHWFPJU-STQMWFEESA-N 2 2 308.382 1.171 20 5 DDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000589504375 354998144 /nfs/dbraw/zinc/99/81/44/354998144.db2.gz SDQKWBGNRMVKAF-CHWSQXEVSA-N 2 2 305.334 1.033 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448651 355313688 /nfs/dbraw/zinc/31/36/88/355313688.db2.gz LPSOTZJENGHOGS-SWLSCSKDSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591448651 355313691 /nfs/dbraw/zinc/31/36/91/355313691.db2.gz LPSOTZJENGHOGS-SWLSCSKDSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279357 355277024 /nfs/dbraw/zinc/27/70/24/355277024.db2.gz MUIZNVXEDLUKHB-PWSUYJOCSA-N 2 2 307.350 1.454 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593314305 355851840 /nfs/dbraw/zinc/85/18/40/355851840.db2.gz COPKEADTWYMXJW-CZUORRHYSA-N 2 2 323.393 1.789 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593314305 355851844 /nfs/dbraw/zinc/85/18/44/355851844.db2.gz COPKEADTWYMXJW-CZUORRHYSA-N 2 2 323.393 1.789 20 5 DDBDLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595908154 356700577 /nfs/dbraw/zinc/70/05/77/356700577.db2.gz FXZATSWVXBHZTH-UHFFFAOYSA-N 2 2 304.350 1.347 20 5 DDBDLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595908154 356700580 /nfs/dbraw/zinc/70/05/80/356700580.db2.gz FXZATSWVXBHZTH-UHFFFAOYSA-N 2 2 304.350 1.347 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595907458 356700755 /nfs/dbraw/zinc/70/07/55/356700755.db2.gz UULMAFVUBRJTTL-CHWSQXEVSA-N 2 2 324.356 1.603 20 5 DDBDLP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596654390 356943355 /nfs/dbraw/zinc/94/33/55/356943355.db2.gz NTJSVVNVTKRTJU-CYBMUJFWSA-N 2 2 317.349 1.790 20 5 DDBDLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602516782 359022317 /nfs/dbraw/zinc/02/23/17/359022317.db2.gz RDWCHNUNZNXWQM-UHFFFAOYSA-N 2 2 307.394 1.920 20 5 DDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000058969331 184132879 /nfs/dbraw/zinc/13/28/79/184132879.db2.gz TYPJVMALEKWICN-UHFFFAOYSA-N 2 2 324.381 1.286 20 5 DDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000058969331 184132881 /nfs/dbraw/zinc/13/28/81/184132881.db2.gz TYPJVMALEKWICN-UHFFFAOYSA-N 2 2 324.381 1.286 20 5 DDBDLP CN(C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000352516932 285108356 /nfs/dbraw/zinc/10/83/56/285108356.db2.gz ATYWYCGHWBTPQR-CQSZACIVSA-N 2 2 320.393 1.761 20 5 DDBDLP CN(C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000352516932 285108357 /nfs/dbraw/zinc/10/83/57/285108357.db2.gz ATYWYCGHWBTPQR-CQSZACIVSA-N 2 2 320.393 1.761 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569502904 304358976 /nfs/dbraw/zinc/35/89/76/304358976.db2.gz MELFLOVCSBXRAM-CORIIIEPSA-N 2 2 318.377 1.208 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569502904 304358978 /nfs/dbraw/zinc/35/89/78/304358978.db2.gz MELFLOVCSBXRAM-CORIIIEPSA-N 2 2 318.377 1.208 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863473 410302425 /nfs/dbraw/zinc/30/24/25/410302425.db2.gz UBBGRBRRDFTNMU-ZOWXZIJZSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863473 410302431 /nfs/dbraw/zinc/30/24/31/410302431.db2.gz UBBGRBRRDFTNMU-ZOWXZIJZSA-N 2 2 318.377 1.369 20 5 DDBDLP C[NH2+]C[C@H](C)CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423279748 420001708 /nfs/dbraw/zinc/00/17/08/420001708.db2.gz TUEXSVVUQHHRGK-SWLSCSKDSA-N 2 2 317.393 1.863 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430551007 420133103 /nfs/dbraw/zinc/13/31/03/420133103.db2.gz HJXWJODOLSDNLW-HNNXBMFYSA-N 2 2 306.366 1.559 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000420297578 420188298 /nfs/dbraw/zinc/18/82/98/420188298.db2.gz YUMXLDRDEMVONM-GFCCVEGCSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000420297578 420188303 /nfs/dbraw/zinc/18/83/03/420188303.db2.gz YUMXLDRDEMVONM-GFCCVEGCSA-N 2 2 322.365 1.355 20 5 DDBDLP CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616672 420266246 /nfs/dbraw/zinc/26/62/46/420266246.db2.gz UEVHEXDSFPHGDM-ZDUSSCGKSA-N 2 2 320.393 1.997 20 5 DDBDLP CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616672 420266249 /nfs/dbraw/zinc/26/62/49/420266249.db2.gz UEVHEXDSFPHGDM-ZDUSSCGKSA-N 2 2 320.393 1.997 20 5 DDBDLP CN(C)c1[nH+]cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1C ZINC000563351563 421489945 /nfs/dbraw/zinc/48/99/45/421489945.db2.gz KHXUKSKBTANCDH-UHFFFAOYSA-N 2 2 319.365 1.563 20 5 DDBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278849940 277101811 /nfs/dbraw/zinc/10/18/11/277101811.db2.gz VPMDHOSDTOTRMH-DOTOQJQBSA-N 2 2 318.421 1.808 20 5 DDBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278849940 277101814 /nfs/dbraw/zinc/10/18/14/277101814.db2.gz VPMDHOSDTOTRMH-DOTOQJQBSA-N 2 2 318.421 1.808 20 5 DDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261862024 290267136 /nfs/dbraw/zinc/26/71/36/290267136.db2.gz GAHGOYGLJLEDSK-GFCCVEGCSA-N 2 2 306.366 1.019 20 5 DDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261862024 290267140 /nfs/dbraw/zinc/26/71/40/290267140.db2.gz GAHGOYGLJLEDSK-GFCCVEGCSA-N 2 2 306.366 1.019 20 5 DDBDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877619566 706161624 /nfs/dbraw/zinc/16/16/24/706161624.db2.gz DIOQLAZUPCSQIR-OTTFEQOBSA-N 2 2 307.398 1.957 20 5 DDBDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877619566 706161627 /nfs/dbraw/zinc/16/16/27/706161627.db2.gz DIOQLAZUPCSQIR-OTTFEQOBSA-N 2 2 307.398 1.957 20 5 DDBDLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931311823 714062754 /nfs/dbraw/zinc/06/27/54/714062754.db2.gz PPYRQDFKJMZAMU-ZACQAIPSSA-N 2 2 319.405 1.902 20 5 DDBDLP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931311823 714062756 /nfs/dbraw/zinc/06/27/56/714062756.db2.gz PPYRQDFKJMZAMU-ZACQAIPSSA-N 2 2 319.405 1.902 20 5 DDBDLP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931311823 714062757 /nfs/dbraw/zinc/06/27/57/714062757.db2.gz PPYRQDFKJMZAMU-ZACQAIPSSA-N 2 2 319.405 1.902 20 5 DDBDLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931311823 714062758 /nfs/dbraw/zinc/06/27/58/714062758.db2.gz PPYRQDFKJMZAMU-ZACQAIPSSA-N 2 2 319.405 1.902 20 5 DDBDLP CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001317633661 871263512 /nfs/dbraw/zinc/26/35/12/871263512.db2.gz GZRQKRGROQHUQD-UHFFFAOYSA-N 2 2 323.378 1.170 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448160 355313574 /nfs/dbraw/zinc/31/35/74/355313574.db2.gz FFIKJEOEZQZMKX-JSGCOSHPSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448160 355313579 /nfs/dbraw/zinc/31/35/79/355313579.db2.gz FFIKJEOEZQZMKX-JSGCOSHPSA-N 2 2 318.377 1.607 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592426825 355579214 /nfs/dbraw/zinc/57/92/14/355579214.db2.gz SUAYUJKPCWSVOR-GFCCVEGCSA-N 2 2 321.377 1.797 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592426825 355579216 /nfs/dbraw/zinc/57/92/16/355579216.db2.gz SUAYUJKPCWSVOR-GFCCVEGCSA-N 2 2 321.377 1.797 20 5 DDBDLP C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427676 355580080 /nfs/dbraw/zinc/58/00/80/355580080.db2.gz PPRAOPDABQAEGX-CMPLNLGQSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427676 355580081 /nfs/dbraw/zinc/58/00/81/355580081.db2.gz PPRAOPDABQAEGX-CMPLNLGQSA-N 2 2 307.350 1.535 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737542 407596410 /nfs/dbraw/zinc/59/64/10/407596410.db2.gz OWNJBAIEDSUWDC-WBMJQRKESA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737542 407596413 /nfs/dbraw/zinc/59/64/13/407596413.db2.gz OWNJBAIEDSUWDC-WBMJQRKESA-N 2 2 320.393 1.901 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153667073 407875194 /nfs/dbraw/zinc/87/51/94/407875194.db2.gz SZUHGZYVQCRGRR-DGCLKSJQSA-N 2 2 311.382 1.567 20 5 DDBDLP C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000247658917 408500730 /nfs/dbraw/zinc/50/07/30/408500730.db2.gz XHRZIOTYENHYSJ-GXTWGEPZSA-N 2 2 304.354 1.571 20 5 DDBDLP C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000247658917 408500735 /nfs/dbraw/zinc/50/07/35/408500735.db2.gz XHRZIOTYENHYSJ-GXTWGEPZSA-N 2 2 304.354 1.571 20 5 DDBDLP CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000359048191 410549585 /nfs/dbraw/zinc/54/95/85/410549585.db2.gz VIUKLIRXIZQZDM-DZGCQCFKSA-N 2 2 309.366 1.412 20 5 DDBDLP CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000359048191 410549589 /nfs/dbraw/zinc/54/95/89/410549589.db2.gz VIUKLIRXIZQZDM-DZGCQCFKSA-N 2 2 309.366 1.412 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000580647078 422945810 /nfs/dbraw/zinc/94/58/10/422945810.db2.gz YEYZXQJXZIXRFM-NSHDSACASA-N 2 2 317.349 1.816 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000580647078 422945811 /nfs/dbraw/zinc/94/58/11/422945811.db2.gz YEYZXQJXZIXRFM-NSHDSACASA-N 2 2 317.349 1.816 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCC(C)(C)[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000423287902 420003803 /nfs/dbraw/zinc/00/38/03/420003803.db2.gz PDWPQXBEOSAFCL-ZDUSSCGKSA-N 2 2 303.366 1.745 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420298023 420190103 /nfs/dbraw/zinc/19/01/03/420190103.db2.gz ZNRPRFCZLOEASW-LLVKDONJSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420298023 420190105 /nfs/dbraw/zinc/19/01/05/420190105.db2.gz ZNRPRFCZLOEASW-LLVKDONJSA-N 2 2 322.365 1.355 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430580844 420146151 /nfs/dbraw/zinc/14/61/51/420146151.db2.gz NGAMPGSMZDDZED-GFCCVEGCSA-N 2 2 320.349 1.316 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430580844 420146155 /nfs/dbraw/zinc/14/61/55/420146155.db2.gz NGAMPGSMZDDZED-GFCCVEGCSA-N 2 2 320.349 1.316 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658383 420171786 /nfs/dbraw/zinc/17/17/86/420171786.db2.gz XJMIWXHQHDOBRS-STQMWFEESA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658383 420171792 /nfs/dbraw/zinc/17/17/92/420171792.db2.gz XJMIWXHQHDOBRS-STQMWFEESA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420369987 420240216 /nfs/dbraw/zinc/24/02/16/420240216.db2.gz VPTGCEYBOGIPTI-ZDUSSCGKSA-N 2 2 308.382 1.805 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369064 420241397 /nfs/dbraw/zinc/24/13/97/420241397.db2.gz BJCKKAYQLJGNOG-FRRDWIJNSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369064 420241402 /nfs/dbraw/zinc/24/14/02/420241402.db2.gz BJCKKAYQLJGNOG-FRRDWIJNSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420382014 420251460 /nfs/dbraw/zinc/25/14/60/420251460.db2.gz PKOALTIUWNKQKX-JHJVBQTASA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420382014 420251463 /nfs/dbraw/zinc/25/14/63/420251463.db2.gz PKOALTIUWNKQKX-JHJVBQTASA-N 2 2 320.393 1.839 20 5 DDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359357 301171630 /nfs/dbraw/zinc/17/16/30/301171630.db2.gz QQASQGKDBBISRB-INIZCTEOSA-N 2 2 318.421 1.807 20 5 DDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359357 301171632 /nfs/dbraw/zinc/17/16/32/301171632.db2.gz QQASQGKDBBISRB-INIZCTEOSA-N 2 2 318.421 1.807 20 5 DDBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000413213632 534884369 /nfs/dbraw/zinc/88/43/69/534884369.db2.gz SVAXYEOXAMHKKN-UHFFFAOYSA-N 2 2 316.361 1.694 20 5 DDBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776600683 698126019 /nfs/dbraw/zinc/12/60/19/698126019.db2.gz DNVQNBLFLNBELW-OAHLLOKOSA-N 2 2 304.350 1.847 20 5 DDBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776600683 698126020 /nfs/dbraw/zinc/12/60/20/698126020.db2.gz DNVQNBLFLNBELW-OAHLLOKOSA-N 2 2 304.350 1.847 20 5 DDBDLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001167353550 733278928 /nfs/dbraw/zinc/27/89/28/733278928.db2.gz ZXNMJUPMGGEOCN-UHFFFAOYSA-N 2 2 323.378 1.218 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001157914634 864254268 /nfs/dbraw/zinc/25/42/68/864254268.db2.gz CTVXDKXTOFCSRZ-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254466170 896453702 /nfs/dbraw/zinc/45/37/02/896453702.db2.gz WLYJRJZEXBTIHZ-MRXNPFEDSA-N 2 2 320.393 1.223 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254466170 896453708 /nfs/dbraw/zinc/45/37/08/896453708.db2.gz WLYJRJZEXBTIHZ-MRXNPFEDSA-N 2 2 320.393 1.223 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000597989921 357408590 /nfs/dbraw/zinc/40/85/90/357408590.db2.gz NMLHVAAKKTZYKU-UHFFFAOYSA-N 2 2 314.411 1.270 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000597989921 357408595 /nfs/dbraw/zinc/40/85/95/357408595.db2.gz NMLHVAAKKTZYKU-UHFFFAOYSA-N 2 2 314.411 1.270 20 5 DDBDLP COC1CC[NH+](CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602587473 359057764 /nfs/dbraw/zinc/05/77/64/359057764.db2.gz HRHNOACHCXVXSL-UHFFFAOYSA-N 2 2 307.394 1.838 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000602795317 359198192 /nfs/dbraw/zinc/19/81/92/359198192.db2.gz HUHOLHMXOWNHJD-OCCSQVGLSA-N 2 2 318.381 1.879 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000602795317 359198196 /nfs/dbraw/zinc/19/81/96/359198196.db2.gz HUHOLHMXOWNHJD-OCCSQVGLSA-N 2 2 318.381 1.879 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)C[NH+](C)C ZINC000348306993 283462823 /nfs/dbraw/zinc/46/28/23/283462823.db2.gz PUHUPJQZHLMTSS-VXGBXAGGSA-N 2 2 308.382 1.852 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261893962 407659958 /nfs/dbraw/zinc/65/99/58/407659958.db2.gz OBJZKHZJXDNZPQ-OAHLLOKOSA-N 2 2 320.393 1.083 20 5 DDBDLP CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000261810676 407623336 /nfs/dbraw/zinc/62/33/36/407623336.db2.gz VSLBMWWJFFNFBG-UHFFFAOYSA-N 2 2 320.393 1.658 20 5 DDBDLP CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000261810676 407623341 /nfs/dbraw/zinc/62/33/41/407623341.db2.gz VSLBMWWJFFNFBG-UHFFFAOYSA-N 2 2 320.393 1.658 20 5 DDBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000179178766 407742903 /nfs/dbraw/zinc/74/29/03/407742903.db2.gz VDEKJCFCRMDAFW-NSHDSACASA-N 2 2 315.333 1.214 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840918 410189462 /nfs/dbraw/zinc/18/94/62/410189462.db2.gz GJFLINIBJVSNQG-CYZMBNFOSA-N 2 2 321.377 1.781 20 5 DDBDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840918 410189469 /nfs/dbraw/zinc/18/94/69/410189469.db2.gz GJFLINIBJVSNQG-CYZMBNFOSA-N 2 2 321.377 1.781 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351861725 410300749 /nfs/dbraw/zinc/30/07/49/410300749.db2.gz MABGXQZQRQDGFE-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351861725 410300753 /nfs/dbraw/zinc/30/07/53/410300753.db2.gz MABGXQZQRQDGFE-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP CC[NH2+]CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423237876 419994023 /nfs/dbraw/zinc/99/40/23/419994023.db2.gz QGUNENLIWFTQMW-CQSZACIVSA-N 2 2 303.366 1.617 20 5 DDBDLP CC[C@@H]([NH3+])CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472879 420056468 /nfs/dbraw/zinc/05/64/68/420056468.db2.gz QKDLOWJIUPBNEN-TZMCWYRMSA-N 2 2 303.366 1.745 20 5 DDBDLP C[NH2+]C1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430938162 420215573 /nfs/dbraw/zinc/21/55/73/420215573.db2.gz ARRQENSBGHXRCT-UHFFFAOYSA-N 2 2 309.366 1.666 20 5 DDBDLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317126 420448862 /nfs/dbraw/zinc/44/88/62/420448862.db2.gz VRMGPQYHQCLVCJ-GDBMZVCRSA-N 2 2 307.394 1.874 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442755892 420707452 /nfs/dbraw/zinc/70/74/52/420707452.db2.gz JNCUANNMBPDUTE-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442755892 420707455 /nfs/dbraw/zinc/70/74/55/420707455.db2.gz JNCUANNMBPDUTE-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000575999727 422357575 /nfs/dbraw/zinc/35/75/75/422357575.db2.gz LXBSVXCUPADRNF-UHFFFAOYSA-N 2 2 321.421 1.962 20 5 DDBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278849944 277102845 /nfs/dbraw/zinc/10/28/45/277102845.db2.gz VPMDHOSDTOTRMH-NVXWUHKLSA-N 2 2 318.421 1.808 20 5 DDBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278849944 277102846 /nfs/dbraw/zinc/10/28/46/277102846.db2.gz VPMDHOSDTOTRMH-NVXWUHKLSA-N 2 2 318.421 1.808 20 5 DDBDLP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000368688240 301075567 /nfs/dbraw/zinc/07/55/67/301075567.db2.gz NQIQNYIGILDBSQ-NSHDSACASA-N 2 2 302.334 1.974 20 5 DDBDLP COc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000368688240 301075570 /nfs/dbraw/zinc/07/55/70/301075570.db2.gz NQIQNYIGILDBSQ-NSHDSACASA-N 2 2 302.334 1.974 20 5 DDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169269 308022863 /nfs/dbraw/zinc/02/28/63/308022863.db2.gz GBXMZLOQTJFXNC-SWLSCSKDSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169269 308022864 /nfs/dbraw/zinc/02/28/64/308022864.db2.gz GBXMZLOQTJFXNC-SWLSCSKDSA-N 2 2 311.382 1.185 20 5 DDBDLP CC(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000577513730 308394713 /nfs/dbraw/zinc/39/47/13/308394713.db2.gz WMPPATAOUVGNRH-AWEZNQCLSA-N 2 2 306.410 1.793 20 5 DDBDLP CC(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000577513730 308394714 /nfs/dbraw/zinc/39/47/14/308394714.db2.gz WMPPATAOUVGNRH-AWEZNQCLSA-N 2 2 306.410 1.793 20 5 DDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580064270 308576921 /nfs/dbraw/zinc/57/69/21/308576921.db2.gz SXJJYZXILAYEOY-JSGCOSHPSA-N 2 2 320.349 1.209 20 5 DDBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2C[NH+](C)C2)c1F ZINC001173192462 777037508 /nfs/dbraw/zinc/03/75/08/777037508.db2.gz QDBRUKGENHAVTD-JTQLQIEISA-N 2 2 311.357 1.825 20 5 DDBDLP Cc1cnc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c([N+](=O)[O-])c1 ZINC001155362501 861993960 /nfs/dbraw/zinc/99/39/60/861993960.db2.gz FZISVCJAMJGSNF-ZDUSSCGKSA-N 2 2 305.382 1.158 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)OCCO2 ZINC000592432400 355582101 /nfs/dbraw/zinc/58/21/01/355582101.db2.gz WRCRAOICROCEIV-TXEJJXNPSA-N 2 2 305.334 1.017 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)OCCO2 ZINC000592432400 355582104 /nfs/dbraw/zinc/58/21/04/355582104.db2.gz WRCRAOICROCEIV-TXEJJXNPSA-N 2 2 305.334 1.017 20 5 DDBDLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000592471205 355593021 /nfs/dbraw/zinc/59/30/21/355593021.db2.gz JPQPVMFQOSJXKY-UHFFFAOYSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000592471205 355593027 /nfs/dbraw/zinc/59/30/27/355593027.db2.gz JPQPVMFQOSJXKY-UHFFFAOYSA-N 2 2 318.377 1.750 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036818 283156499 /nfs/dbraw/zinc/15/64/99/283156499.db2.gz HIOIXKCUWLDPOP-JQWIXIFHSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036818 283156503 /nfs/dbraw/zinc/15/65/03/283156503.db2.gz HIOIXKCUWLDPOP-JQWIXIFHSA-N 2 2 309.366 1.781 20 5 DDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475372 356508990 /nfs/dbraw/zinc/50/89/90/356508990.db2.gz JFIRGSNUORJFAK-INIZCTEOSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475372 356508992 /nfs/dbraw/zinc/50/89/92/356508992.db2.gz JFIRGSNUORJFAK-INIZCTEOSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475372 356508993 /nfs/dbraw/zinc/50/89/93/356508993.db2.gz JFIRGSNUORJFAK-INIZCTEOSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475372 356508995 /nfs/dbraw/zinc/50/89/95/356508995.db2.gz JFIRGSNUORJFAK-INIZCTEOSA-N 2 2 309.410 1.770 20 5 DDBDLP CN(CC(C)(C)[NH3+])C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000595943276 356716006 /nfs/dbraw/zinc/71/60/06/356716006.db2.gz IYDKVSKQTXVIDP-UHFFFAOYSA-N 2 2 317.349 1.590 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123075 356781789 /nfs/dbraw/zinc/78/17/89/356781789.db2.gz MJUZAAZTHXYMEL-NSHDSACASA-N 2 2 321.381 1.276 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123075 356781792 /nfs/dbraw/zinc/78/17/92/356781792.db2.gz MJUZAAZTHXYMEL-NSHDSACASA-N 2 2 321.381 1.276 20 5 DDBDLP C[C@@](CO)([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601148427 358422411 /nfs/dbraw/zinc/42/24/11/358422411.db2.gz BOUVTFJBKLWGFB-INIZCTEOSA-N 2 2 316.361 1.735 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000610804182 360541527 /nfs/dbraw/zinc/54/15/27/360541527.db2.gz MTEFRYQVWIXQFV-GXTWGEPZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000610804182 360541531 /nfs/dbraw/zinc/54/15/31/360541531.db2.gz MTEFRYQVWIXQFV-GXTWGEPZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000610804184 360541649 /nfs/dbraw/zinc/54/16/49/360541649.db2.gz MTEFRYQVWIXQFV-OCCSQVGLSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000610804184 360541650 /nfs/dbraw/zinc/54/16/50/360541650.db2.gz MTEFRYQVWIXQFV-OCCSQVGLSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351490743 284340382 /nfs/dbraw/zinc/34/03/82/284340382.db2.gz IYVLQRUCTZDQHG-FDRIWYBQSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351490743 284340387 /nfs/dbraw/zinc/34/03/87/284340387.db2.gz IYVLQRUCTZDQHG-FDRIWYBQSA-N 2 2 318.377 1.591 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569502911 304359483 /nfs/dbraw/zinc/35/94/83/304359483.db2.gz MELFLOVCSBXRAM-LNSITVRQSA-N 2 2 318.377 1.208 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569502911 304359486 /nfs/dbraw/zinc/35/94/86/304359486.db2.gz MELFLOVCSBXRAM-LNSITVRQSA-N 2 2 318.377 1.208 20 5 DDBDLP [NH3+]CC[N@@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000261773433 407610479 /nfs/dbraw/zinc/61/04/79/407610479.db2.gz OHGAXWOAWNPWOP-UHFFFAOYSA-N 2 2 303.366 1.295 20 5 DDBDLP [NH3+]CC[N@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000261773433 407610484 /nfs/dbraw/zinc/61/04/84/407610484.db2.gz OHGAXWOAWNPWOP-UHFFFAOYSA-N 2 2 303.366 1.295 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850755 407640153 /nfs/dbraw/zinc/64/01/53/407640153.db2.gz DLJGIGAKBCLUHQ-NWDGAFQWSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850755 407640159 /nfs/dbraw/zinc/64/01/59/407640159.db2.gz DLJGIGAKBCLUHQ-NWDGAFQWSA-N 2 2 306.366 1.593 20 5 DDBDLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078769 408975896 /nfs/dbraw/zinc/97/58/96/408975896.db2.gz FLJCKMZLTQYALI-CVEARBPZSA-N 2 2 305.378 1.656 20 5 DDBDLP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078769 408975898 /nfs/dbraw/zinc/97/58/98/408975898.db2.gz FLJCKMZLTQYALI-CVEARBPZSA-N 2 2 305.378 1.656 20 5 DDBDLP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078769 408975899 /nfs/dbraw/zinc/97/58/99/408975899.db2.gz FLJCKMZLTQYALI-CVEARBPZSA-N 2 2 305.378 1.656 20 5 DDBDLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078769 408975901 /nfs/dbraw/zinc/97/59/01/408975901.db2.gz FLJCKMZLTQYALI-CVEARBPZSA-N 2 2 305.378 1.656 20 5 DDBDLP COCC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000341203368 410935685 /nfs/dbraw/zinc/93/56/85/410935685.db2.gz CUIMAOXLHDTCTD-VOKGJARPSA-N 2 2 305.378 1.918 20 5 DDBDLP COCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000341203368 410935691 /nfs/dbraw/zinc/93/56/91/410935691.db2.gz CUIMAOXLHDTCTD-VOKGJARPSA-N 2 2 305.378 1.918 20 5 DDBDLP C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374257139 418511071 /nfs/dbraw/zinc/51/10/71/418511071.db2.gz XZRGWZJBRIWOKU-CYBMUJFWSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374257139 418511074 /nfs/dbraw/zinc/51/10/74/418511074.db2.gz XZRGWZJBRIWOKU-CYBMUJFWSA-N 2 2 319.409 1.595 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423196834 227398011 /nfs/dbraw/zinc/39/80/11/227398011.db2.gz WMJYGMKBVKOEIQ-ZFWWWQNUSA-N 2 2 315.377 1.759 20 5 DDBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415099368 419943126 /nfs/dbraw/zinc/94/31/26/419943126.db2.gz YAKPPEPNUHGGMQ-LLVKDONJSA-N 2 2 317.292 1.274 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430573963 420143009 /nfs/dbraw/zinc/14/30/09/420143009.db2.gz NJRDFQDUFZMTCN-UHFFFAOYSA-N 2 2 308.382 1.758 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430573963 420143015 /nfs/dbraw/zinc/14/30/15/420143015.db2.gz NJRDFQDUFZMTCN-UHFFFAOYSA-N 2 2 308.382 1.758 20 5 DDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965440 420226906 /nfs/dbraw/zinc/22/69/06/420226906.db2.gz JKWVNHPMLGVLRU-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965440 420226911 /nfs/dbraw/zinc/22/69/11/420226911.db2.gz JKWVNHPMLGVLRU-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C(C)(C)[NH3+])no1 ZINC000420375490 420245137 /nfs/dbraw/zinc/24/51/37/420245137.db2.gz PNXWTEVTGFNUEB-UHFFFAOYSA-N 2 2 319.365 1.846 20 5 DDBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C(C)(C)[NH3+])no1 ZINC000420375490 420245142 /nfs/dbraw/zinc/24/51/42/420245142.db2.gz PNXWTEVTGFNUEB-UHFFFAOYSA-N 2 2 319.365 1.846 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385834 421001820 /nfs/dbraw/zinc/00/18/20/421001820.db2.gz GVKNBPFMVLSPEX-HOCLYGCPSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385834 421001821 /nfs/dbraw/zinc/00/18/21/421001821.db2.gz GVKNBPFMVLSPEX-HOCLYGCPSA-N 2 2 321.421 1.962 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391035 421005354 /nfs/dbraw/zinc/00/53/54/421005354.db2.gz HLPSNAJDPCQIHA-MRXNPFEDSA-N 2 2 307.394 1.840 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391035 421005356 /nfs/dbraw/zinc/00/53/56/421005356.db2.gz HLPSNAJDPCQIHA-MRXNPFEDSA-N 2 2 307.394 1.840 20 5 DDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940574 300183484 /nfs/dbraw/zinc/18/34/84/300183484.db2.gz GMQFHPVMTOFILI-KRWDZBQOSA-N 2 2 318.421 1.807 20 5 DDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940574 300183487 /nfs/dbraw/zinc/18/34/87/300183487.db2.gz GMQFHPVMTOFILI-KRWDZBQOSA-N 2 2 318.421 1.807 20 5 DDBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000424338220 307301442 /nfs/dbraw/zinc/30/14/42/307301442.db2.gz UHAVSCMPEMIFGW-KFWWJZLASA-N 2 2 318.377 1.560 20 5 DDBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776600682 698126038 /nfs/dbraw/zinc/12/60/38/698126038.db2.gz DNVQNBLFLNBELW-HNNXBMFYSA-N 2 2 304.350 1.847 20 5 DDBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776600682 698126039 /nfs/dbraw/zinc/12/60/39/698126039.db2.gz DNVQNBLFLNBELW-HNNXBMFYSA-N 2 2 304.350 1.847 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818986351 704043890 /nfs/dbraw/zinc/04/38/90/704043890.db2.gz MDRQUWGJTPBOFQ-BZUAXINKSA-N 2 2 321.377 1.081 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000818986351 704043892 /nfs/dbraw/zinc/04/38/92/704043892.db2.gz MDRQUWGJTPBOFQ-BZUAXINKSA-N 2 2 321.377 1.081 20 5 DDBDLP C[C@H]([NH2+]CC[N+](=O)[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000905084054 711931206 /nfs/dbraw/zinc/93/12/06/711931206.db2.gz YTPLNLHSBANVKW-LBPRGKRZSA-N 2 2 310.373 1.505 20 5 DDBDLP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931311821 714062473 /nfs/dbraw/zinc/06/24/73/714062473.db2.gz PPYRQDFKJMZAMU-GVDBMIGSSA-N 2 2 319.405 1.902 20 5 DDBDLP C[NH2+]C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000923285667 714297770 /nfs/dbraw/zinc/29/77/70/714297770.db2.gz CMTLHLMAZRGVRU-ZDUSSCGKSA-N 2 2 309.366 1.018 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923365517 714329215 /nfs/dbraw/zinc/32/92/15/714329215.db2.gz FPXUHMOQXRDEPK-HOTGVXAUSA-N 2 2 305.378 1.704 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923365517 714329217 /nfs/dbraw/zinc/32/92/17/714329217.db2.gz FPXUHMOQXRDEPK-HOTGVXAUSA-N 2 2 305.378 1.704 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000923426550 714352165 /nfs/dbraw/zinc/35/21/65/714352165.db2.gz NZNVBGOXSOGTTQ-OAHLLOKOSA-N 2 2 305.378 1.846 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000923426550 714352167 /nfs/dbraw/zinc/35/21/67/714352167.db2.gz NZNVBGOXSOGTTQ-OAHLLOKOSA-N 2 2 305.378 1.846 20 5 DDBDLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132079716 768610047 /nfs/dbraw/zinc/61/00/47/768610047.db2.gz JJERFKNERGDYDG-UHFFFAOYSA-N 2 2 317.349 1.087 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001158206334 864488576 /nfs/dbraw/zinc/48/85/76/864488576.db2.gz JVVXRTGBYPFIKU-LLVKDONJSA-N 2 2 313.317 1.191 20 5 DDBDLP C[NH2+]CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000424032406 529964125 /nfs/dbraw/zinc/96/41/25/529964125.db2.gz KVQZVVWXGDSELE-UHFFFAOYSA-N 2 2 317.349 1.462 20 5 DDBDLP C[NH2+]CCCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423204511 529971480 /nfs/dbraw/zinc/97/14/80/529971480.db2.gz UMARDLQAGOKYPN-CQSZACIVSA-N 2 2 303.366 1.617 20 5 DDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC000591579928 355330524 /nfs/dbraw/zinc/33/05/24/355330524.db2.gz ABDSFLNUEPOZJV-WUHRBBMRSA-N 2 2 311.361 1.565 20 5 DDBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593906635 356052452 /nfs/dbraw/zinc/05/24/52/356052452.db2.gz KXQYJPCDMFCVTE-OAHLLOKOSA-N 2 2 320.393 1.365 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000602834801 359226813 /nfs/dbraw/zinc/22/68/13/359226813.db2.gz DBHAWFYFOGUPOM-OAHLLOKOSA-N 2 2 307.398 1.517 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000602834801 359226817 /nfs/dbraw/zinc/22/68/17/359226817.db2.gz DBHAWFYFOGUPOM-OAHLLOKOSA-N 2 2 307.398 1.517 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000602834801 359226821 /nfs/dbraw/zinc/22/68/21/359226821.db2.gz DBHAWFYFOGUPOM-OAHLLOKOSA-N 2 2 307.398 1.517 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000602834801 359226823 /nfs/dbraw/zinc/22/68/23/359226823.db2.gz DBHAWFYFOGUPOM-OAHLLOKOSA-N 2 2 307.398 1.517 20 5 DDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611680915 360790819 /nfs/dbraw/zinc/79/08/19/360790819.db2.gz JKNLWEVGYNAYQO-ZDUSSCGKSA-N 2 2 320.393 1.362 20 5 DDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611680915 360790821 /nfs/dbraw/zinc/79/08/21/360790821.db2.gz JKNLWEVGYNAYQO-ZDUSSCGKSA-N 2 2 320.393 1.362 20 5 DDBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764128 284257003 /nfs/dbraw/zinc/25/70/03/284257003.db2.gz OCZHPQOVCHXRQF-AWEZNQCLSA-N 2 2 307.398 1.455 20 5 DDBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764128 284257008 /nfs/dbraw/zinc/25/70/08/284257008.db2.gz OCZHPQOVCHXRQF-AWEZNQCLSA-N 2 2 307.398 1.455 20 5 DDBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764128 284257011 /nfs/dbraw/zinc/25/70/11/284257011.db2.gz OCZHPQOVCHXRQF-AWEZNQCLSA-N 2 2 307.398 1.455 20 5 DDBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764128 284257013 /nfs/dbraw/zinc/25/70/13/284257013.db2.gz OCZHPQOVCHXRQF-AWEZNQCLSA-N 2 2 307.398 1.455 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351501957 284349257 /nfs/dbraw/zinc/34/92/57/284349257.db2.gz YLRDAZUDASIJTO-MROQNXINSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351501957 284349261 /nfs/dbraw/zinc/34/92/61/284349261.db2.gz YLRDAZUDASIJTO-MROQNXINSA-N 2 2 318.377 1.591 20 5 DDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847713 207014309 /nfs/dbraw/zinc/01/43/09/207014309.db2.gz BQBWEFGGCYOTGC-HIFRSBDPSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847713 207014311 /nfs/dbraw/zinc/01/43/11/207014311.db2.gz BQBWEFGGCYOTGC-HIFRSBDPSA-N 2 2 306.410 1.800 20 5 DDBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[NH+]1CCC(O)CC1 ZINC000294902106 224297115 /nfs/dbraw/zinc/29/71/15/224297115.db2.gz RRFUUHQQJOMHEZ-HWKANZROSA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+](CCCO)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115548919 407687803 /nfs/dbraw/zinc/68/78/03/407687803.db2.gz RGLHVUJRRSZPIQ-UHFFFAOYSA-N 2 2 321.421 1.916 20 5 DDBDLP C[N@@H+](CCCO)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115548919 407687806 /nfs/dbraw/zinc/68/78/06/407687806.db2.gz RGLHVUJRRSZPIQ-UHFFFAOYSA-N 2 2 321.421 1.916 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153666949 407873658 /nfs/dbraw/zinc/87/36/58/407873658.db2.gz SZUHGZYVQCRGRR-AAEUAGOBSA-N 2 2 311.382 1.567 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346066240 409753913 /nfs/dbraw/zinc/75/39/13/409753913.db2.gz LFFYBQHXJXNXHQ-GFCCVEGCSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346066240 409753920 /nfs/dbraw/zinc/75/39/20/409753920.db2.gz LFFYBQHXJXNXHQ-GFCCVEGCSA-N 2 2 306.366 1.655 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857654 410293491 /nfs/dbraw/zinc/29/34/91/410293491.db2.gz YBZKNPDZOGMOPK-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857654 410293498 /nfs/dbraw/zinc/29/34/98/410293498.db2.gz YBZKNPDZOGMOPK-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423287205 227426056 /nfs/dbraw/zinc/42/60/56/227426056.db2.gz KWBIDDHCBZEDDS-ZDUSSCGKSA-N 2 2 303.366 1.745 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423287204 420003453 /nfs/dbraw/zinc/00/34/53/420003453.db2.gz KWBIDDHCBZEDDS-CYBMUJFWSA-N 2 2 303.366 1.745 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939901 420216004 /nfs/dbraw/zinc/21/60/04/420216004.db2.gz MUPRRTFZPZERRG-UHIISALHSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939901 420216007 /nfs/dbraw/zinc/21/60/07/420216007.db2.gz MUPRRTFZPZERRG-UHIISALHSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000430960910 420224140 /nfs/dbraw/zinc/22/41/40/420224140.db2.gz AMWQVFKBKOPXOY-MFKMUULPSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000430960910 420224143 /nfs/dbraw/zinc/22/41/43/420224143.db2.gz AMWQVFKBKOPXOY-MFKMUULPSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000449589616 421033860 /nfs/dbraw/zinc/03/38/60/421033860.db2.gz KDBVSNHXIIDXCU-ZJUUUORDSA-N 2 2 303.322 1.246 20 5 DDBDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475758 702725406 /nfs/dbraw/zinc/72/54/06/702725406.db2.gz UKSGSJYTJXRTAF-CABZTGNLSA-N 2 2 310.329 1.484 20 5 DDBDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475758 702725409 /nfs/dbraw/zinc/72/54/09/702725409.db2.gz UKSGSJYTJXRTAF-CABZTGNLSA-N 2 2 310.329 1.484 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000819058021 704062083 /nfs/dbraw/zinc/06/20/83/704062083.db2.gz CJAFEGUORVVTBZ-OAHLLOKOSA-N 2 2 304.350 1.895 20 5 DDBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886091627 708696671 /nfs/dbraw/zinc/69/66/71/708696671.db2.gz FEQWTROOAGTZOE-UHFFFAOYSA-N 2 2 307.398 1.059 20 5 DDBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886091627 708696672 /nfs/dbraw/zinc/69/66/72/708696672.db2.gz FEQWTROOAGTZOE-UHFFFAOYSA-N 2 2 307.398 1.059 20 5 DDBDLP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCOCC1 ZINC000903807697 711286698 /nfs/dbraw/zinc/28/66/98/711286698.db2.gz PRPURGICPODTHN-UHFFFAOYSA-N 2 2 309.366 1.413 20 5 DDBDLP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCOCC1 ZINC000903807697 711286700 /nfs/dbraw/zinc/28/67/00/711286700.db2.gz PRPURGICPODTHN-UHFFFAOYSA-N 2 2 309.366 1.413 20 5 DDBDLP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933741794 714660286 /nfs/dbraw/zinc/66/02/86/714660286.db2.gz HYNAUHPOBDGTCC-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933741794 714660290 /nfs/dbraw/zinc/66/02/90/714660290.db2.gz HYNAUHPOBDGTCC-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933741794 714660292 /nfs/dbraw/zinc/66/02/92/714660292.db2.gz HYNAUHPOBDGTCC-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933741794 714660293 /nfs/dbraw/zinc/66/02/93/714660293.db2.gz HYNAUHPOBDGTCC-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126437028 740112497 /nfs/dbraw/zinc/11/24/97/740112497.db2.gz SDRVVRISYZYSMY-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986906 762179457 /nfs/dbraw/zinc/17/94/57/762179457.db2.gz FZMZSYHIGDIGKU-QZWWFDLISA-N 2 2 318.421 1.233 20 5 DDBDLP COc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001156176058 862776684 /nfs/dbraw/zinc/77/66/84/862776684.db2.gz JDCRNDMPQIGGFA-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP C[N@@H+]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001349849298 875408597 /nfs/dbraw/zinc/40/85/97/875408597.db2.gz KHDOILPPGHBRMZ-MRXNPFEDSA-N 2 2 320.393 1.321 20 5 DDBDLP C[N@H+]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001349849298 875408605 /nfs/dbraw/zinc/40/86/05/875408605.db2.gz KHDOILPPGHBRMZ-MRXNPFEDSA-N 2 2 320.393 1.321 20 5 DDBDLP CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000563622893 303965951 /nfs/dbraw/zinc/96/59/51/303965951.db2.gz JQKFPWWLFFLXJS-UHFFFAOYSA-N 2 2 317.349 1.510 20 5 DDBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000089926539 353782729 /nfs/dbraw/zinc/78/27/29/353782729.db2.gz WFTPXAHQTPQVHN-UHFFFAOYSA-N 2 2 319.340 1.790 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000090554477 353795678 /nfs/dbraw/zinc/79/56/78/353795678.db2.gz SLKLQGARMROKPU-LBPRGKRZSA-N 2 2 317.349 1.359 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000090554477 353795681 /nfs/dbraw/zinc/79/56/81/353795681.db2.gz SLKLQGARMROKPU-LBPRGKRZSA-N 2 2 317.349 1.359 20 5 DDBDLP CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000316619991 354504593 /nfs/dbraw/zinc/50/45/93/354504593.db2.gz AUZMHBSPORRILS-GWCFXTLKSA-N 2 2 306.366 1.253 20 5 DDBDLP CC[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000316619991 354504596 /nfs/dbraw/zinc/50/45/96/354504596.db2.gz AUZMHBSPORRILS-GWCFXTLKSA-N 2 2 306.366 1.253 20 5 DDBDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733985 355373935 /nfs/dbraw/zinc/37/39/35/355373935.db2.gz SJHFNNOYBYLQBE-CHWSQXEVSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733985 355373937 /nfs/dbraw/zinc/37/39/37/355373937.db2.gz SJHFNNOYBYLQBE-CHWSQXEVSA-N 2 2 309.366 1.018 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036827 283156553 /nfs/dbraw/zinc/15/65/53/283156553.db2.gz HIOIXKCUWLDPOP-PWSUYJOCSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036827 283156557 /nfs/dbraw/zinc/15/65/57/283156557.db2.gz HIOIXKCUWLDPOP-PWSUYJOCSA-N 2 2 309.366 1.781 20 5 DDBDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066136 356759295 /nfs/dbraw/zinc/75/92/95/356759295.db2.gz PLQUGNHAFRHSRE-ZFWWWQNUSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066136 356759296 /nfs/dbraw/zinc/75/92/96/356759296.db2.gz PLQUGNHAFRHSRE-ZFWWWQNUSA-N 2 2 323.393 1.408 20 5 DDBDLP C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000602482359 359008633 /nfs/dbraw/zinc/00/86/33/359008633.db2.gz FNZOCNGWIYKYMU-WCQYABFASA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000602482359 359008634 /nfs/dbraw/zinc/00/86/34/359008634.db2.gz FNZOCNGWIYKYMU-WCQYABFASA-N 2 2 304.354 1.608 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000602674344 359118162 /nfs/dbraw/zinc/11/81/62/359118162.db2.gz OTLDHCUIRNMTBG-HNNXBMFYSA-N 2 2 307.394 1.574 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000602674344 359118165 /nfs/dbraw/zinc/11/81/65/359118165.db2.gz OTLDHCUIRNMTBG-HNNXBMFYSA-N 2 2 307.394 1.574 20 5 DDBDLP [NH3+]CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000238055181 202431412 /nfs/dbraw/zinc/43/14/12/202431412.db2.gz QWFBYJQHIPLSNH-UHFFFAOYSA-N 2 2 303.322 1.249 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000610804207 360541393 /nfs/dbraw/zinc/54/13/93/360541393.db2.gz UAGUUBGAHRGGOF-TZMCWYRMSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000610804207 360541399 /nfs/dbraw/zinc/54/13/99/360541399.db2.gz UAGUUBGAHRGGOF-TZMCWYRMSA-N 2 2 320.393 1.996 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120191256 195115516 /nfs/dbraw/zinc/11/55/16/195115516.db2.gz NQOXFRWBZBJENN-CQSZACIVSA-N 2 2 303.322 1.340 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120191256 195115518 /nfs/dbraw/zinc/11/55/18/195115518.db2.gz NQOXFRWBZBJENN-CQSZACIVSA-N 2 2 303.322 1.340 20 5 DDBDLP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000569448864 304354438 /nfs/dbraw/zinc/35/44/38/304354438.db2.gz CGQSVZJXFSKQMK-UHFFFAOYSA-N 2 2 320.393 1.997 20 5 DDBDLP Cn1cc[nH+]c1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266967295 407696200 /nfs/dbraw/zinc/69/62/00/407696200.db2.gz YSUNCIVDEZTRKI-UHFFFAOYSA-N 2 2 315.377 1.693 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357069999 409837199 /nfs/dbraw/zinc/83/71/99/409837199.db2.gz ILQNCFMCROUELN-CHWSQXEVSA-N 2 2 321.377 1.524 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357069999 409837206 /nfs/dbraw/zinc/83/72/06/409837206.db2.gz ILQNCFMCROUELN-CHWSQXEVSA-N 2 2 321.377 1.524 20 5 DDBDLP Cc1ccnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000372957580 418916362 /nfs/dbraw/zinc/91/63/62/418916362.db2.gz ZUEOVVYAFGBGQL-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1ccnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000372957580 418916364 /nfs/dbraw/zinc/91/63/64/418916364.db2.gz ZUEOVVYAFGBGQL-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP COC[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414945944 419886814 /nfs/dbraw/zinc/88/68/14/419886814.db2.gz RORGJJMGLKWGMW-OUOZUETKSA-N 2 2 305.378 1.966 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430925376 420208351 /nfs/dbraw/zinc/20/83/51/420208351.db2.gz KXBSXVNKJFWYJG-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430925376 420208354 /nfs/dbraw/zinc/20/83/54/420208354.db2.gz KXBSXVNKJFWYJG-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430605984 420156730 /nfs/dbraw/zinc/15/67/30/420156730.db2.gz UCUVPKWSSUWJQE-NWDGAFQWSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430605984 420156735 /nfs/dbraw/zinc/15/67/35/420156735.db2.gz UCUVPKWSSUWJQE-NWDGAFQWSA-N 2 2 306.366 1.593 20 5 DDBDLP C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450297991 421178537 /nfs/dbraw/zinc/17/85/37/421178537.db2.gz KUQXLCVHJOJLTA-UHFFFAOYSA-N 2 2 315.333 1.167 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000563153034 421464183 /nfs/dbraw/zinc/46/41/83/421464183.db2.gz NSONFGGTAYMSHL-GFCCVEGCSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000563153034 421464186 /nfs/dbraw/zinc/46/41/86/421464186.db2.gz NSONFGGTAYMSHL-GFCCVEGCSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000519812450 421729807 /nfs/dbraw/zinc/72/98/07/421729807.db2.gz WITRAABETRWRNH-LLVKDONJSA-N 2 2 307.354 1.010 20 5 DDBDLP Cc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000519812450 421729809 /nfs/dbraw/zinc/72/98/09/421729809.db2.gz WITRAABETRWRNH-LLVKDONJSA-N 2 2 307.354 1.010 20 5 DDBDLP COc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000519832520 421733717 /nfs/dbraw/zinc/73/37/17/421733717.db2.gz IYOMXNOQMJULIC-UHFFFAOYSA-N 2 2 323.393 1.540 20 5 DDBDLP C[NH2+]CCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420391633 277267467 /nfs/dbraw/zinc/26/74/67/277267467.db2.gz SNPZDNYLVVDICE-AWEZNQCLSA-N 2 2 306.366 1.241 20 5 DDBDLP C[NH2+]CCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000420391633 277267468 /nfs/dbraw/zinc/26/74/68/277267468.db2.gz SNPZDNYLVVDICE-AWEZNQCLSA-N 2 2 306.366 1.241 20 5 DDBDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887498 307052487 /nfs/dbraw/zinc/05/24/87/307052487.db2.gz JEHNEPJRDCNOHA-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887498 307052488 /nfs/dbraw/zinc/05/24/88/307052488.db2.gz JEHNEPJRDCNOHA-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145249 337245683 /nfs/dbraw/zinc/24/56/83/337245683.db2.gz DYLGZBFCLWNSHB-WFASDCNBSA-N 2 2 318.377 1.371 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145249 337245684 /nfs/dbraw/zinc/24/56/84/337245684.db2.gz DYLGZBFCLWNSHB-WFASDCNBSA-N 2 2 318.377 1.371 20 5 DDBDLP CCC1([NH+]2CCC2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000886710615 708819796 /nfs/dbraw/zinc/81/97/96/708819796.db2.gz BYSZQYBABMBYTE-UHFFFAOYSA-N 2 2 307.398 1.742 20 5 DDBDLP Cc1cc([N+](=O)[O-])c(NC(=[NH2+])N2CC[NH+](C)CC2)nc1Cl ZINC001157914340 864252884 /nfs/dbraw/zinc/25/28/84/864252884.db2.gz CGJGDEHWTCEULT-UHFFFAOYSA-N 2 2 312.761 1.546 20 5 DDBDLP Cc1[nH+]c2c(n1-c1ncc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351780 869537995 /nfs/dbraw/zinc/53/79/95/869537995.db2.gz JAWSKMNLEVWFHL-UHFFFAOYSA-N 2 2 307.741 1.826 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCC[NH3+])CC1 ZINC001254539154 896494548 /nfs/dbraw/zinc/49/45/48/896494548.db2.gz GHWHUODXPREBRZ-AWEZNQCLSA-N 2 2 306.410 1.492 20 5 DDBDLP C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC001262562557 900245218 /nfs/dbraw/zinc/24/52/18/900245218.db2.gz DZFCCXBRPPIPQB-IUODEOHRSA-N 2 2 304.350 1.751 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[NH2+]C1CC1 ZINC000591577324 355329768 /nfs/dbraw/zinc/32/97/68/355329768.db2.gz PYJGXWIMAUFJFJ-LLVKDONJSA-N 2 2 306.366 1.654 20 5 DDBDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733986 355373806 /nfs/dbraw/zinc/37/38/06/355373806.db2.gz SJHFNNOYBYLQBE-OLZOCXBDSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733986 355373810 /nfs/dbraw/zinc/37/38/10/355373810.db2.gz SJHFNNOYBYLQBE-OLZOCXBDSA-N 2 2 309.366 1.018 20 5 DDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157953 304047511 /nfs/dbraw/zinc/04/75/11/304047511.db2.gz RHOHQERMQIUALE-NEPJUHHUSA-N 2 2 306.366 1.369 20 5 DDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157953 304047514 /nfs/dbraw/zinc/04/75/14/304047514.db2.gz RHOHQERMQIUALE-NEPJUHHUSA-N 2 2 306.366 1.369 20 5 DDBDLP Cc1c([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000596652777 356942594 /nfs/dbraw/zinc/94/25/94/356942594.db2.gz HJGWGGDLYPUSFM-JTQLQIEISA-N 2 2 317.349 1.708 20 5 DDBDLP Cc1cc(NC2CC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000600961509 358358405 /nfs/dbraw/zinc/35/84/05/358358405.db2.gz RVZRVCNCSRHXRE-UHFFFAOYSA-N 2 2 313.361 1.946 20 5 DDBDLP C[NH+]1CCN(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601101355 358403121 /nfs/dbraw/zinc/40/31/21/358403121.db2.gz PITCELXFYJJJAJ-UHFFFAOYSA-N 2 2 315.377 1.224 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000602795312 359197925 /nfs/dbraw/zinc/19/79/25/359197925.db2.gz HUHOLHMXOWNHJD-JSGCOSHPSA-N 2 2 318.381 1.879 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000602795312 359197931 /nfs/dbraw/zinc/19/79/31/359197931.db2.gz HUHOLHMXOWNHJD-JSGCOSHPSA-N 2 2 318.381 1.879 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000602891392 359274572 /nfs/dbraw/zinc/27/45/72/359274572.db2.gz MEPMOSWEAHYRRL-INIZCTEOSA-N 2 2 323.393 1.362 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000602891392 359274578 /nfs/dbraw/zinc/27/45/78/359274578.db2.gz MEPMOSWEAHYRRL-INIZCTEOSA-N 2 2 323.393 1.362 20 5 DDBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000610271195 360405481 /nfs/dbraw/zinc/40/54/81/360405481.db2.gz JWMXABVBMAZRSW-AAEUAGOBSA-N 2 2 321.377 1.938 20 5 DDBDLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000610271195 360405484 /nfs/dbraw/zinc/40/54/84/360405484.db2.gz JWMXABVBMAZRSW-AAEUAGOBSA-N 2 2 321.377 1.938 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422711130 533223150 /nfs/dbraw/zinc/22/31/50/533223150.db2.gz GRAUZRNZMPFUIJ-AAEUAGOBSA-N 2 2 309.366 1.460 20 5 DDBDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607219 409147580 /nfs/dbraw/zinc/14/75/80/409147580.db2.gz GIUCNAASJYYCCI-WCQYABFASA-N 2 2 308.382 1.284 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351861522 410300197 /nfs/dbraw/zinc/30/01/97/410300197.db2.gz MABGXQZQRQDGFE-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351861522 410300204 /nfs/dbraw/zinc/30/02/04/410300204.db2.gz MABGXQZQRQDGFE-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP COCC[N@@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000341203370 410933854 /nfs/dbraw/zinc/93/38/54/410933854.db2.gz CUIMAOXLHDTCTD-ZDTYVGOBSA-N 2 2 305.378 1.918 20 5 DDBDLP COCC[N@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000341203370 410933861 /nfs/dbraw/zinc/93/38/61/410933861.db2.gz CUIMAOXLHDTCTD-ZDTYVGOBSA-N 2 2 305.378 1.918 20 5 DDBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)o1 ZINC000415095185 419940228 /nfs/dbraw/zinc/94/02/28/419940228.db2.gz LRVNQKZYXDLGFH-CYBMUJFWSA-N 2 2 317.345 1.933 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430550791 420133371 /nfs/dbraw/zinc/13/33/71/420133371.db2.gz KXYJWNQQGHXANB-HNNXBMFYSA-N 2 2 306.366 1.559 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430591415 420148324 /nfs/dbraw/zinc/14/83/24/420148324.db2.gz FKEOXJHXWDRJBT-HNNXBMFYSA-N 2 2 308.382 1.805 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953786 420221515 /nfs/dbraw/zinc/22/15/15/420221515.db2.gz ICXLOIUGAONZAX-KGYLQXTDSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953786 420221516 /nfs/dbraw/zinc/22/15/16/420221516.db2.gz ICXLOIUGAONZAX-KGYLQXTDSA-N 2 2 320.393 1.899 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369126 420240033 /nfs/dbraw/zinc/24/00/33/420240033.db2.gz BRCSRGHAOQTKER-FRRDWIJNSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369126 420240039 /nfs/dbraw/zinc/24/00/39/420240039.db2.gz BRCSRGHAOQTKER-FRRDWIJNSA-N 2 2 320.393 1.839 20 5 DDBDLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420391168 420256532 /nfs/dbraw/zinc/25/65/32/420256532.db2.gz RRAJBVNNVSFOSX-LLVKDONJSA-N 2 2 324.381 1.472 20 5 DDBDLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420391168 420256535 /nfs/dbraw/zinc/25/65/35/420256535.db2.gz RRAJBVNNVSFOSX-LLVKDONJSA-N 2 2 324.381 1.472 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395179 421006673 /nfs/dbraw/zinc/00/66/73/421006673.db2.gz IIPXGKGMECUDPS-HOCLYGCPSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395179 421006674 /nfs/dbraw/zinc/00/66/74/421006674.db2.gz IIPXGKGMECUDPS-HOCLYGCPSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261842094 280154493 /nfs/dbraw/zinc/15/44/93/280154493.db2.gz QSKUEUZKLMOVHC-GDBMZVCRSA-N 2 2 318.377 1.371 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000261842094 280154495 /nfs/dbraw/zinc/15/44/95/280154495.db2.gz QSKUEUZKLMOVHC-GDBMZVCRSA-N 2 2 318.377 1.371 20 5 DDBDLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397308536 302353247 /nfs/dbraw/zinc/35/32/47/302353247.db2.gz IBJROYVSOFDTPI-FRRDWIJNSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397308536 302353250 /nfs/dbraw/zinc/35/32/50/302353250.db2.gz IBJROYVSOFDTPI-FRRDWIJNSA-N 2 2 320.393 1.839 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863569075 705960398 /nfs/dbraw/zinc/96/03/98/705960398.db2.gz POVBIWCNOWCDES-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863569075 705960402 /nfs/dbraw/zinc/96/04/02/705960402.db2.gz POVBIWCNOWCDES-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886090484 708696664 /nfs/dbraw/zinc/69/66/64/708696664.db2.gz ZJQPKDGKRHEFGZ-UHFFFAOYSA-N 2 2 321.425 1.448 20 5 DDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886090484 708696665 /nfs/dbraw/zinc/69/66/65/708696665.db2.gz ZJQPKDGKRHEFGZ-UHFFFAOYSA-N 2 2 321.425 1.448 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902446348 710756835 /nfs/dbraw/zinc/75/68/35/710756835.db2.gz OGVQTRVYHKYBEY-FZMZJTMJSA-N 2 2 320.393 1.900 20 5 DDBDLP CCO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000905577777 712084177 /nfs/dbraw/zinc/08/41/77/712084177.db2.gz BOORPHKLJLUQNL-GJZGRUSLSA-N 2 2 311.382 1.185 20 5 DDBDLP CC[N+](C)(C)Cc1ccccc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736565 748461407 /nfs/dbraw/zinc/46/14/07/748461407.db2.gz ITKCUPWJDSFVNJ-UHFFFAOYSA-N 3 2 304.462 1.877 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584768288 354762520 /nfs/dbraw/zinc/76/25/20/354762520.db2.gz MNUYVJJXBFTKBS-LBPRGKRZSA-N 2 2 321.381 1.318 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584768288 354762523 /nfs/dbraw/zinc/76/25/23/354762523.db2.gz MNUYVJJXBFTKBS-LBPRGKRZSA-N 2 2 321.381 1.318 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592486186 355596152 /nfs/dbraw/zinc/59/61/52/355596152.db2.gz YOUIANVAXQASEI-JMSVASOKSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592486186 355596155 /nfs/dbraw/zinc/59/61/55/355596155.db2.gz YOUIANVAXQASEI-JMSVASOKSA-N 2 2 320.393 1.981 20 5 DDBDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066134 356759384 /nfs/dbraw/zinc/75/93/84/356759384.db2.gz PLQUGNHAFRHSRE-UKRRQHHQSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066134 356759386 /nfs/dbraw/zinc/75/93/86/356759386.db2.gz PLQUGNHAFRHSRE-UKRRQHHQSA-N 2 2 323.393 1.408 20 5 DDBDLP C[NH2+]C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596655013 356943394 /nfs/dbraw/zinc/94/33/94/356943394.db2.gz PKKJDMVYRKUIEP-BXUZGUMPSA-N 2 2 303.366 1.615 20 5 DDBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820967 296123576 /nfs/dbraw/zinc/12/35/76/296123576.db2.gz ZDLAJTJCQAGOIE-DOMZBBRYSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820967 296123577 /nfs/dbraw/zinc/12/35/77/296123577.db2.gz ZDLAJTJCQAGOIE-DOMZBBRYSA-N 2 2 320.393 1.585 20 5 DDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)n1 ZINC000351491441 284340997 /nfs/dbraw/zinc/34/09/97/284340997.db2.gz GXAHMTHUUKQDLM-CHWSQXEVSA-N 2 2 304.354 1.761 20 5 DDBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000114199819 407552571 /nfs/dbraw/zinc/55/25/71/407552571.db2.gz RRUYMUSIOYQRSL-NSHDSACASA-N 2 2 306.366 1.077 20 5 DDBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000114199819 407552574 /nfs/dbraw/zinc/55/25/74/407552574.db2.gz RRUYMUSIOYQRSL-NSHDSACASA-N 2 2 306.366 1.077 20 5 DDBDLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261793626 407615901 /nfs/dbraw/zinc/61/59/01/407615901.db2.gz QRBZSMKWMXQBFU-ZDUSSCGKSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261793626 407615908 /nfs/dbraw/zinc/61/59/08/407615908.db2.gz QRBZSMKWMXQBFU-ZDUSSCGKSA-N 2 2 306.366 1.607 20 5 DDBDLP CC[C@@H]([NH3+])CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472877 286864194 /nfs/dbraw/zinc/86/41/94/286864194.db2.gz QKDLOWJIUPBNEN-OCCSQVGLSA-N 2 2 303.366 1.745 20 5 DDBDLP C[C@@H](CCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295199981 409370750 /nfs/dbraw/zinc/37/07/50/409370750.db2.gz KBGRDOJXRIEWFF-NSHDSACASA-N 2 2 317.349 1.638 20 5 DDBDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632755 287035411 /nfs/dbraw/zinc/03/54/11/287035411.db2.gz HPTKDHJTWIFOBU-QWHCGFSZSA-N 2 2 322.409 1.796 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857907 410292347 /nfs/dbraw/zinc/29/23/47/410292347.db2.gz CSHMVLIHIALLNO-TUAOUCFPSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857907 410292355 /nfs/dbraw/zinc/29/23/55/410292355.db2.gz CSHMVLIHIALLNO-TUAOUCFPSA-N 2 2 306.366 1.591 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422733282 227142139 /nfs/dbraw/zinc/14/21/39/227142139.db2.gz AURLRQASOFLVHM-HZPDHXFCSA-N 2 2 305.378 1.494 20 5 DDBDLP CC(C)[C@H]([NH3+])CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423276493 420002086 /nfs/dbraw/zinc/00/20/86/420002086.db2.gz OMFKJXDMEVWDEG-CABCVRRESA-N 2 2 317.393 1.991 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423317830 420011646 /nfs/dbraw/zinc/01/16/46/420011646.db2.gz KRJPNVPFUBXPNS-GJZGRUSLSA-N 2 2 315.377 1.745 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430578810 420146506 /nfs/dbraw/zinc/14/65/06/420146506.db2.gz FRQPCJCWWKIWLQ-OLZOCXBDSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430578810 420146511 /nfs/dbraw/zinc/14/65/11/420146511.db2.gz FRQPCJCWWKIWLQ-OLZOCXBDSA-N 2 2 320.393 1.901 20 5 DDBDLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430595562 420151859 /nfs/dbraw/zinc/15/18/59/420151859.db2.gz UVFYPYWNKUDJNX-LBPRGKRZSA-N 2 2 306.366 1.526 20 5 DDBDLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430595562 420151862 /nfs/dbraw/zinc/15/18/62/420151862.db2.gz UVFYPYWNKUDJNX-LBPRGKRZSA-N 2 2 306.366 1.526 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420363793 420237536 /nfs/dbraw/zinc/23/75/36/420237536.db2.gz JUBSTICJFLLSIG-OXJKWZBOSA-N 2 2 320.393 1.898 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765259 420711887 /nfs/dbraw/zinc/71/18/87/420711887.db2.gz IVBCOTSUQSJOCM-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765259 420711892 /nfs/dbraw/zinc/71/18/92/420711892.db2.gz IVBCOTSUQSJOCM-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522046 277116158 /nfs/dbraw/zinc/11/61/58/277116158.db2.gz RENADVVNARJTTA-CJNGLKHVSA-N 2 2 318.421 1.810 20 5 DDBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353099 301170218 /nfs/dbraw/zinc/17/02/18/301170218.db2.gz BLYCICCETVHSGG-KRWDZBQOSA-N 2 2 318.421 1.807 20 5 DDBDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353099 301170220 /nfs/dbraw/zinc/17/02/20/301170220.db2.gz BLYCICCETVHSGG-KRWDZBQOSA-N 2 2 318.421 1.807 20 5 DDBDLP O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423009069 304804954 /nfs/dbraw/zinc/80/49/54/304804954.db2.gz BXYCWOZUNPSYJI-HOTGVXAUSA-N 2 2 305.378 1.494 20 5 DDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169270 308022811 /nfs/dbraw/zinc/02/28/11/308022811.db2.gz GBXMZLOQTJFXNC-WFASDCNBSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169270 308022812 /nfs/dbraw/zinc/02/28/12/308022812.db2.gz GBXMZLOQTJFXNC-WFASDCNBSA-N 2 2 311.382 1.185 20 5 DDBDLP O=[N+]([O-])c1ccnn1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738111757 699752631 /nfs/dbraw/zinc/75/26/31/699752631.db2.gz PVMRUZHXBOSFHF-UHFFFAOYSA-N 2 2 323.397 1.183 20 5 DDBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877621801 706162096 /nfs/dbraw/zinc/16/20/96/706162096.db2.gz AHJVXMOSMHHAIR-HIFPTAJRSA-N 2 2 307.398 1.957 20 5 DDBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877621801 706162098 /nfs/dbraw/zinc/16/20/98/706162098.db2.gz AHJVXMOSMHHAIR-HIFPTAJRSA-N 2 2 307.398 1.957 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC001333372348 866680605 /nfs/dbraw/zinc/68/06/05/866680605.db2.gz VMXFUSOOOGKYGA-UNXYVOJBSA-N 2 2 302.338 1.296 20 5 DDBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595897510 356695804 /nfs/dbraw/zinc/69/58/04/356695804.db2.gz ZTHJPVOYHCSUAD-UHFFFAOYSA-N 2 2 323.393 1.586 20 5 DDBDLP C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000595983050 356735215 /nfs/dbraw/zinc/73/52/15/356735215.db2.gz MXZUHODBCWOIEG-JTQLQIEISA-N 2 2 303.322 1.118 20 5 DDBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350286200 284178169 /nfs/dbraw/zinc/17/81/69/284178169.db2.gz KLBHJZUTLYRPGC-LBPRGKRZSA-N 2 2 311.357 1.934 20 5 DDBDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266220814 205191802 /nfs/dbraw/zinc/19/18/02/205191802.db2.gz ZFBKHIOSZZSIPX-GFCCVEGCSA-N 2 2 320.393 1.996 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422718201 533223081 /nfs/dbraw/zinc/22/30/81/533223081.db2.gz PIEMKJNPXZSSRX-HOTGVXAUSA-N 2 2 321.377 1.460 20 5 DDBDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000424331857 533517755 /nfs/dbraw/zinc/51/77/55/533517755.db2.gz KBGPFEBIYCFEBS-LERXQTSPSA-N 2 2 306.366 1.781 20 5 DDBDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123191846 407322517 /nfs/dbraw/zinc/32/25/17/407322517.db2.gz LUXHWLWXCDWBQL-FZMZJTMJSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123191846 407322519 /nfs/dbraw/zinc/32/25/19/407322519.db2.gz LUXHWLWXCDWBQL-FZMZJTMJSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+]1C ZINC000123191846 407322521 /nfs/dbraw/zinc/32/25/21/407322521.db2.gz LUXHWLWXCDWBQL-FZMZJTMJSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+]1C ZINC000123191846 407322522 /nfs/dbraw/zinc/32/25/22/407322522.db2.gz LUXHWLWXCDWBQL-FZMZJTMJSA-N 2 2 320.393 1.608 20 5 DDBDLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000237197020 407804911 /nfs/dbraw/zinc/80/49/11/407804911.db2.gz OQDKVVORJKOMPF-ZDUSSCGKSA-N 2 2 309.366 1.150 20 5 DDBDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985271 409806402 /nfs/dbraw/zinc/80/64/02/409806402.db2.gz TZOSZQQBOBTPFZ-HOTGVXAUSA-N 2 2 305.378 1.628 20 5 DDBDLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985271 409806409 /nfs/dbraw/zinc/80/64/09/409806409.db2.gz TZOSZQQBOBTPFZ-HOTGVXAUSA-N 2 2 305.378 1.628 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414932426 419877961 /nfs/dbraw/zinc/87/79/61/419877961.db2.gz RBXQHEKUBICHDF-LALPHHSUSA-N 2 2 320.393 1.900 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420320363 420206422 /nfs/dbraw/zinc/20/64/22/420206422.db2.gz BKIZZQUTNXLHBY-GFCCVEGCSA-N 2 2 323.368 1.921 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420320363 420206423 /nfs/dbraw/zinc/20/64/23/420206423.db2.gz BKIZZQUTNXLHBY-GFCCVEGCSA-N 2 2 323.368 1.921 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597216 420151771 /nfs/dbraw/zinc/15/17/71/420151771.db2.gz QCILIPQIUMDNQH-STQMWFEESA-N 2 2 320.393 1.617 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597216 420151774 /nfs/dbraw/zinc/15/17/74/420151774.db2.gz QCILIPQIUMDNQH-STQMWFEESA-N 2 2 320.393 1.617 20 5 DDBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420359620 420232748 /nfs/dbraw/zinc/23/27/48/420232748.db2.gz GFEOJMCCGGLOQI-ZDUSSCGKSA-N 2 2 306.366 1.511 20 5 DDBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418846 421506551 /nfs/dbraw/zinc/50/65/51/421506551.db2.gz QINQVXDWMRYTBR-SWLSCSKDSA-N 2 2 304.394 1.418 20 5 DDBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418846 421506552 /nfs/dbraw/zinc/50/65/52/421506552.db2.gz QINQVXDWMRYTBR-SWLSCSKDSA-N 2 2 304.394 1.418 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417382824 533685890 /nfs/dbraw/zinc/68/58/90/533685890.db2.gz OIEVEBZGYNIFPC-GFCCVEGCSA-N 2 2 320.393 1.996 20 5 DDBDLP CC(C)[C@H]([NH3+])CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423278873 280286839 /nfs/dbraw/zinc/28/68/39/280286839.db2.gz RGKNPHUZOHIROR-CABCVRRESA-N 2 2 317.393 1.991 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194708 307144324 /nfs/dbraw/zinc/14/43/24/307144324.db2.gz FVUKCJWEENMVFT-OAHLLOKOSA-N 2 2 321.425 1.989 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194708 307144325 /nfs/dbraw/zinc/14/43/25/307144325.db2.gz FVUKCJWEENMVFT-OAHLLOKOSA-N 2 2 321.425 1.989 20 5 DDBDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095198 714000382 /nfs/dbraw/zinc/00/03/82/714000382.db2.gz WYCXBPYDMUSYFA-OAHLLOKOSA-N 2 2 308.382 1.263 20 5 DDBDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095198 714000386 /nfs/dbraw/zinc/00/03/86/714000386.db2.gz WYCXBPYDMUSYFA-OAHLLOKOSA-N 2 2 308.382 1.263 20 5 DDBDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095198 714000391 /nfs/dbraw/zinc/00/03/91/714000391.db2.gz WYCXBPYDMUSYFA-OAHLLOKOSA-N 2 2 308.382 1.263 20 5 DDBDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095198 714000393 /nfs/dbraw/zinc/00/03/93/714000393.db2.gz WYCXBPYDMUSYFA-OAHLLOKOSA-N 2 2 308.382 1.263 20 5 DDBDLP CNc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164211877 869018730 /nfs/dbraw/zinc/01/87/30/869018730.db2.gz UUCICZSHICABNW-UHFFFAOYSA-N 2 2 322.413 1.469 20 5 DDBDLP COc1cnc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001165353582 869541872 /nfs/dbraw/zinc/54/18/72/869541872.db2.gz RPIVAHOJSZDDPP-UHFFFAOYSA-N 2 2 303.322 1.181 20 5 DDBDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265840 873676906 /nfs/dbraw/zinc/67/69/06/873676906.db2.gz XPHGRYSRTIXPAN-DZGCQCFKSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265840 873676912 /nfs/dbraw/zinc/67/69/12/873676912.db2.gz XPHGRYSRTIXPAN-DZGCQCFKSA-N 2 2 323.393 1.266 20 5 DDBDLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246151655 892445320 /nfs/dbraw/zinc/44/53/20/892445320.db2.gz KODIAHCDIQIDPL-OCCSQVGLSA-N 2 2 323.393 1.786 20 5 DDBDLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246402426 892604218 /nfs/dbraw/zinc/60/42/18/892604218.db2.gz WFTADSCETGPCEY-AAEUAGOBSA-N 2 2 309.366 1.396 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347113933 283183049 /nfs/dbraw/zinc/18/30/49/283183049.db2.gz SQLKGQHINVFXJD-LLVKDONJSA-N 2 2 309.366 1.653 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347113933 283183051 /nfs/dbraw/zinc/18/30/51/283183051.db2.gz SQLKGQHINVFXJD-LLVKDONJSA-N 2 2 309.366 1.653 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595906848 356700964 /nfs/dbraw/zinc/70/09/64/356700964.db2.gz OISAGILRIMBPST-VXGBXAGGSA-N 2 2 324.356 1.603 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595906848 356700967 /nfs/dbraw/zinc/70/09/67/356700967.db2.gz OISAGILRIMBPST-VXGBXAGGSA-N 2 2 324.356 1.603 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000602795321 359198265 /nfs/dbraw/zinc/19/82/65/359198265.db2.gz HUHOLHMXOWNHJD-TZMCWYRMSA-N 2 2 318.381 1.879 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000602795321 359198270 /nfs/dbraw/zinc/19/82/70/359198270.db2.gz HUHOLHMXOWNHJD-TZMCWYRMSA-N 2 2 318.381 1.879 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465040 422771805 /nfs/dbraw/zinc/77/18/05/422771805.db2.gz HMVJNDGIOJLSLW-KBPBESRZSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465040 422771811 /nfs/dbraw/zinc/77/18/11/422771811.db2.gz HMVJNDGIOJLSLW-KBPBESRZSA-N 2 2 309.366 1.018 20 5 DDBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000131883847 407756065 /nfs/dbraw/zinc/75/60/65/407756065.db2.gz WXNDUIAWACCLGF-GFCCVEGCSA-N 2 2 302.338 1.373 20 5 DDBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000131883847 407756075 /nfs/dbraw/zinc/75/60/75/407756075.db2.gz WXNDUIAWACCLGF-GFCCVEGCSA-N 2 2 302.338 1.373 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346100537 409782238 /nfs/dbraw/zinc/78/22/38/409782238.db2.gz SOUYGUKMPZTEIJ-LLVKDONJSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346100537 409782249 /nfs/dbraw/zinc/78/22/49/409782249.db2.gz SOUYGUKMPZTEIJ-LLVKDONJSA-N 2 2 322.365 1.355 20 5 DDBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000353360736 410941647 /nfs/dbraw/zinc/94/16/47/410941647.db2.gz LIMSSPBDMGUYGM-GQCTYLIASA-N 2 2 319.405 1.997 20 5 DDBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000353360736 410941654 /nfs/dbraw/zinc/94/16/54/410941654.db2.gz LIMSSPBDMGUYGM-GQCTYLIASA-N 2 2 319.405 1.997 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423492141 275038324 /nfs/dbraw/zinc/03/83/24/275038324.db2.gz LWOWDBGALJZDJX-GOEBONIOSA-N 2 2 305.378 1.940 20 5 DDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568621011 308124633 /nfs/dbraw/zinc/12/46/33/308124633.db2.gz KIQRXOYMCMWAJH-STQMWFEESA-N 2 2 320.349 1.209 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843388617 702871427 /nfs/dbraw/zinc/87/14/27/702871427.db2.gz UIDAICMEYWSNPW-CYBMUJFWSA-N 2 2 323.368 1.921 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843388617 702871430 /nfs/dbraw/zinc/87/14/30/702871430.db2.gz UIDAICMEYWSNPW-CYBMUJFWSA-N 2 2 323.368 1.921 20 5 DDBDLP CC(C)[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870863485 704148828 /nfs/dbraw/zinc/14/88/28/704148828.db2.gz KGUUVMHNFMOROR-INIZCTEOSA-N 2 2 320.393 1.321 20 5 DDBDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877621803 706162145 /nfs/dbraw/zinc/16/21/45/706162145.db2.gz AHJVXMOSMHHAIR-PNESKVBLSA-N 2 2 307.398 1.957 20 5 DDBDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877621803 706162147 /nfs/dbraw/zinc/16/21/47/706162147.db2.gz AHJVXMOSMHHAIR-PNESKVBLSA-N 2 2 307.398 1.957 20 5 DDBDLP C[NH2+]C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000923285665 714297852 /nfs/dbraw/zinc/29/78/52/714297852.db2.gz CMTLHLMAZRGVRU-CYBMUJFWSA-N 2 2 309.366 1.018 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923365521 714329307 /nfs/dbraw/zinc/32/93/07/714329307.db2.gz FPXUHMOQXRDEPK-JKSUJKDBSA-N 2 2 305.378 1.704 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923365521 714329308 /nfs/dbraw/zinc/32/93/08/714329308.db2.gz FPXUHMOQXRDEPK-JKSUJKDBSA-N 2 2 305.378 1.704 20 5 DDBDLP C[NH+](C)C1(CNc2cc(N)c([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001156182353 862787434 /nfs/dbraw/zinc/78/74/34/862787434.db2.gz QOINSKXDNMQABT-UHFFFAOYSA-N 2 2 308.386 1.010 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001336735307 869114989 /nfs/dbraw/zinc/11/49/89/869114989.db2.gz MTTIOLZKNYTMKE-PWSUYJOCSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001336735307 869114997 /nfs/dbraw/zinc/11/49/97/869114997.db2.gz MTTIOLZKNYTMKE-PWSUYJOCSA-N 2 2 309.366 1.881 20 5 DDBDLP Cc1[nH+]c2c(n1-c1ncc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC001165351279 869538403 /nfs/dbraw/zinc/53/84/03/869538403.db2.gz ATYAPTYRSAYHSY-UHFFFAOYSA-N 2 2 307.741 1.826 20 5 DDBDLP Nc1ccc2n(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c3ccccc3cc-2c1=O ZINC001219255825 878060311 /nfs/dbraw/zinc/06/03/11/878060311.db2.gz LXNWDLSRBIMRFY-RISCZKNCSA-N 2 2 322.368 1.018 20 5 DDBDLP O=C(NC[C@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000272969536 282318863 /nfs/dbraw/zinc/31/88/63/282318863.db2.gz BGRUMOKWBIXAOZ-NSHDSACASA-N 2 2 315.333 1.120 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000593727030 355977037 /nfs/dbraw/zinc/97/70/37/355977037.db2.gz APWCMFNOQRIXEH-ZDUSSCGKSA-N 2 2 321.377 1.488 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000593727030 355977038 /nfs/dbraw/zinc/97/70/38/355977038.db2.gz APWCMFNOQRIXEH-ZDUSSCGKSA-N 2 2 321.377 1.488 20 5 DDBDLP O=C(CC[N@@H+]1CCn2c[nH+]cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595491620 356516873 /nfs/dbraw/zinc/51/68/73/356516873.db2.gz SQGWFIWBVDPZTR-UHFFFAOYSA-N 2 2 315.333 1.636 20 5 DDBDLP O=C(CC[N@H+]1CCn2c[nH+]cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595491620 356516877 /nfs/dbraw/zinc/51/68/77/356516877.db2.gz SQGWFIWBVDPZTR-UHFFFAOYSA-N 2 2 315.333 1.636 20 5 DDBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000596104394 356772871 /nfs/dbraw/zinc/77/28/71/356772871.db2.gz DGFKUWVHTKHYOJ-LLVKDONJSA-N 2 2 303.366 1.693 20 5 DDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599019678 357795672 /nfs/dbraw/zinc/79/56/72/357795672.db2.gz UBESDLMWCICDCP-WQMJKPAKSA-N 2 2 305.378 1.654 20 5 DDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599019678 357795675 /nfs/dbraw/zinc/79/56/75/357795675.db2.gz UBESDLMWCICDCP-WQMJKPAKSA-N 2 2 305.378 1.654 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000600724827 358296871 /nfs/dbraw/zinc/29/68/71/358296871.db2.gz IHNHOVYXUBTNRD-VHSXEESVSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000600724827 358296873 /nfs/dbraw/zinc/29/68/73/358296873.db2.gz IHNHOVYXUBTNRD-VHSXEESVSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000600724817 358296983 /nfs/dbraw/zinc/29/69/83/358296983.db2.gz IHNHOVYXUBTNRD-NXEZZACHSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000600724817 358296987 /nfs/dbraw/zinc/29/69/87/358296987.db2.gz IHNHOVYXUBTNRD-NXEZZACHSA-N 2 2 321.303 1.250 20 5 DDBDLP CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359039823 299314096 /nfs/dbraw/zinc/31/40/96/299314096.db2.gz JNXJNAWNSZWZMA-UONOGXRCSA-N 2 2 309.366 1.412 20 5 DDBDLP CO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359039823 299314098 /nfs/dbraw/zinc/31/40/98/299314098.db2.gz JNXJNAWNSZWZMA-UONOGXRCSA-N 2 2 309.366 1.412 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351475870 284330692 /nfs/dbraw/zinc/33/06/92/284330692.db2.gz JTAHKEJNDTYVTP-FPMFFAJLSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351475870 284330694 /nfs/dbraw/zinc/33/06/94/284330694.db2.gz JTAHKEJNDTYVTP-FPMFFAJLSA-N 2 2 318.377 1.511 20 5 DDBDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000273614532 408265411 /nfs/dbraw/zinc/26/54/11/408265411.db2.gz MYCPTWQBGJMPIR-UHFFFAOYSA-N 2 2 320.397 1.355 20 5 DDBDLP Cc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000269352950 408278283 /nfs/dbraw/zinc/27/82/83/408278283.db2.gz LCRZZTWPISHSKD-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000269352950 408278285 /nfs/dbraw/zinc/27/82/85/408278285.db2.gz LCRZZTWPISHSKD-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP [NH3+][C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000346097136 409780495 /nfs/dbraw/zinc/78/04/95/409780495.db2.gz PXPAPIKPSLTYHA-LLVKDONJSA-N 2 2 320.349 1.316 20 5 DDBDLP [NH3+][C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000346097136 409780502 /nfs/dbraw/zinc/78/05/02/409780502.db2.gz PXPAPIKPSLTYHA-LLVKDONJSA-N 2 2 320.349 1.316 20 5 DDBDLP C[C@@H](C[NH3+])C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423314287 420009857 /nfs/dbraw/zinc/00/98/57/420009857.db2.gz XYKXZFKNRBAHMJ-FZMZJTMJSA-N 2 2 303.366 1.602 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000430553063 420136528 /nfs/dbraw/zinc/13/65/28/420136528.db2.gz SXEMLOLAFZELOX-KGLIPLIRSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000430553063 420136531 /nfs/dbraw/zinc/13/65/31/420136531.db2.gz SXEMLOLAFZELOX-KGLIPLIRSA-N 2 2 318.377 1.750 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420285650 420183533 /nfs/dbraw/zinc/18/35/33/420183533.db2.gz FHSBWZMYZUIKQQ-LBPRGKRZSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420285650 420183537 /nfs/dbraw/zinc/18/35/37/420183537.db2.gz FHSBWZMYZUIKQQ-LBPRGKRZSA-N 2 2 306.366 1.607 20 5 DDBDLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420347817 420226851 /nfs/dbraw/zinc/22/68/51/420226851.db2.gz ZJDQWYMVYFRGNC-QWHCGFSZSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420347817 420226854 /nfs/dbraw/zinc/22/68/54/420226854.db2.gz ZJDQWYMVYFRGNC-QWHCGFSZSA-N 2 2 320.393 1.983 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420360444 420234993 /nfs/dbraw/zinc/23/49/93/420234993.db2.gz HDQOPAGQOPUWJY-TYNCELHUSA-N 2 2 320.393 1.818 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757058 420707594 /nfs/dbraw/zinc/70/75/94/420707594.db2.gz GAHNKSDHRVTHBP-JMSVASOKSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757058 420707597 /nfs/dbraw/zinc/70/75/97/420707597.db2.gz GAHNKSDHRVTHBP-JMSVASOKSA-N 2 2 318.377 1.369 20 5 DDBDLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000564425685 421585204 /nfs/dbraw/zinc/58/52/04/421585204.db2.gz JSPSBBLWRJNZFK-LBPRGKRZSA-N 2 2 307.354 1.010 20 5 DDBDLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000564425685 421585206 /nfs/dbraw/zinc/58/52/06/421585206.db2.gz JSPSBBLWRJNZFK-LBPRGKRZSA-N 2 2 307.354 1.010 20 5 DDBDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000571577280 421727950 /nfs/dbraw/zinc/72/79/50/421727950.db2.gz JTEHJVNBWYISEM-CYBMUJFWSA-N 2 2 309.366 1.148 20 5 DDBDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000571577280 421727953 /nfs/dbraw/zinc/72/79/53/421727953.db2.gz JTEHJVNBWYISEM-CYBMUJFWSA-N 2 2 309.366 1.148 20 5 DDBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363451146 300269584 /nfs/dbraw/zinc/26/95/84/300269584.db2.gz WQPIUXHIKXQXOO-GFCCVEGCSA-N 2 2 318.381 1.924 20 5 DDBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363451146 300269587 /nfs/dbraw/zinc/26/95/87/300269587.db2.gz WQPIUXHIKXQXOO-GFCCVEGCSA-N 2 2 318.381 1.924 20 5 DDBDLP CCOc1cc(N2CC[NH+](CCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000414741183 528311000 /nfs/dbraw/zinc/31/10/00/528311000.db2.gz DWMIPPKONLKXNU-UHFFFAOYSA-N 2 2 308.382 1.464 20 5 DDBDLP CC(C)[C@@H]([NH3+])CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423276499 528533944 /nfs/dbraw/zinc/53/39/44/528533944.db2.gz OMFKJXDMEVWDEG-LSDHHAIUSA-N 2 2 317.393 1.991 20 5 DDBDLP O=[N+]([O-])CC[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000905052059 711921471 /nfs/dbraw/zinc/92/14/71/711921471.db2.gz LANJSBWXWGZCER-UHFFFAOYSA-N 2 2 320.437 1.451 20 5 DDBDLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218966 777050769 /nfs/dbraw/zinc/05/07/69/777050769.db2.gz UWMGNGCIVXCVAW-IUODEOHRSA-N 2 2 323.393 1.786 20 5 DDBDLP C[NH+](C)/C=C/c1cc(Nc2nccnc2C[NH3+])ncc1[N+](=O)[O-] ZINC001160249751 865747203 /nfs/dbraw/zinc/74/72/03/865747203.db2.gz DYZIHQZCSFKCEU-ZZXKWVIFSA-N 2 2 315.337 1.514 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857523 304020389 /nfs/dbraw/zinc/02/03/89/304020389.db2.gz UZJZFFIHFUNTII-OLZOCXBDSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857523 304020391 /nfs/dbraw/zinc/02/03/91/304020391.db2.gz UZJZFFIHFUNTII-OLZOCXBDSA-N 2 2 309.366 1.018 20 5 DDBDLP CCO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000405726406 354679240 /nfs/dbraw/zinc/67/92/40/354679240.db2.gz VQSAVHPEASZJTN-IUODEOHRSA-N 2 2 309.366 1.399 20 5 DDBDLP CCO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000405726406 354679246 /nfs/dbraw/zinc/67/92/46/354679246.db2.gz VQSAVHPEASZJTN-IUODEOHRSA-N 2 2 309.366 1.399 20 5 DDBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593907449 356052999 /nfs/dbraw/zinc/05/29/99/356052999.db2.gz OYMUSYPDOWVYGD-CQSZACIVSA-N 2 2 320.393 1.365 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597989639 357407333 /nfs/dbraw/zinc/40/73/33/357407333.db2.gz HHVLMVRUNYQICT-UHFFFAOYSA-N 2 2 308.382 1.208 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597989639 357407340 /nfs/dbraw/zinc/40/73/40/357407340.db2.gz HHVLMVRUNYQICT-UHFFFAOYSA-N 2 2 308.382 1.208 20 5 DDBDLP C[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601112999 358406215 /nfs/dbraw/zinc/40/62/15/358406215.db2.gz AOGIZRXDFQCHAN-GFCCVEGCSA-N 2 2 316.361 1.646 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000610805644 360541481 /nfs/dbraw/zinc/54/14/81/360541481.db2.gz UPJUQNHYDGRIHS-ZDUSSCGKSA-N 2 2 320.393 1.328 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351478003 284331646 /nfs/dbraw/zinc/33/16/46/284331646.db2.gz OIQCYLRTANVBEA-BAESOJJISA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351478003 284331648 /nfs/dbraw/zinc/33/16/48/284331648.db2.gz OIQCYLRTANVBEA-BAESOJJISA-N 2 2 318.377 1.591 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351479212 284331984 /nfs/dbraw/zinc/33/19/84/284331984.db2.gz QQARQOSUXSUHMY-XQQFMLRXSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351479212 284331987 /nfs/dbraw/zinc/33/19/87/284331987.db2.gz QQARQOSUXSUHMY-XQQFMLRXSA-N 2 2 318.377 1.511 20 5 DDBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567890083 304252685 /nfs/dbraw/zinc/25/26/85/304252685.db2.gz IMZWVCQPJJMYPT-INIZCTEOSA-N 2 2 318.377 1.269 20 5 DDBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567890083 304252687 /nfs/dbraw/zinc/25/26/87/304252687.db2.gz IMZWVCQPJJMYPT-INIZCTEOSA-N 2 2 318.377 1.269 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000414786102 224394318 /nfs/dbraw/zinc/39/43/18/224394318.db2.gz UBWFMFNMYGZCOT-CYBMUJFWSA-N 2 2 323.368 1.921 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCOCC2 ZINC000414786102 224394321 /nfs/dbraw/zinc/39/43/21/224394321.db2.gz UBWFMFNMYGZCOT-CYBMUJFWSA-N 2 2 323.368 1.921 20 5 DDBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000317235089 164026891 /nfs/dbraw/zinc/02/68/91/164026891.db2.gz LPHZAZLYIZTORW-LBPRGKRZSA-N 2 2 308.382 1.839 20 5 DDBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000317235089 164026893 /nfs/dbraw/zinc/02/68/93/164026893.db2.gz LPHZAZLYIZTORW-LBPRGKRZSA-N 2 2 308.382 1.839 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000357092307 409866256 /nfs/dbraw/zinc/86/62/56/409866256.db2.gz ULSOGNAPAMZSAT-GHMZBOCLSA-N 2 2 302.334 1.777 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)nc2c1 ZINC000357092307 409866265 /nfs/dbraw/zinc/86/62/65/409866265.db2.gz ULSOGNAPAMZSAT-GHMZBOCLSA-N 2 2 302.334 1.777 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854869 410294482 /nfs/dbraw/zinc/29/44/82/410294482.db2.gz SADPEAIPIWQGCL-ZYHUDNBSSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854869 410294489 /nfs/dbraw/zinc/29/44/89/410294489.db2.gz SADPEAIPIWQGCL-ZYHUDNBSSA-N 2 2 317.349 1.814 20 5 DDBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649780 418888891 /nfs/dbraw/zinc/88/88/91/418888891.db2.gz PKJXJYSQFHYCOI-LBPRGKRZSA-N 2 2 304.354 1.404 20 5 DDBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649780 418888893 /nfs/dbraw/zinc/88/88/93/418888893.db2.gz PKJXJYSQFHYCOI-LBPRGKRZSA-N 2 2 304.354 1.404 20 5 DDBDLP COCC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326010 420013422 /nfs/dbraw/zinc/01/34/22/420013422.db2.gz IWSCJUDQULLFTD-QWHCGFSZSA-N 2 2 311.386 1.101 20 5 DDBDLP [NH3+]C1CC[NH+](CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000423722492 420142015 /nfs/dbraw/zinc/14/20/15/420142015.db2.gz GDJFZMLFWAPCGJ-UHFFFAOYSA-N 2 2 322.365 1.442 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430574695 420144318 /nfs/dbraw/zinc/14/43/18/420144318.db2.gz JEJJCOSEFMCUJN-OAHLLOKOSA-N 2 2 324.381 1.505 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430638454 420166706 /nfs/dbraw/zinc/16/67/06/420166706.db2.gz NGUHCDGPEBMBDU-UHFFFAOYSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430638454 420166709 /nfs/dbraw/zinc/16/67/09/420166709.db2.gz NGUHCDGPEBMBDU-UHFFFAOYSA-N 2 2 306.366 1.526 20 5 DDBDLP COc1ccc(OCC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC000420364686 420239076 /nfs/dbraw/zinc/23/90/76/420239076.db2.gz KLBYWHVIRVIXEP-XHBSWPGZSA-N 2 2 323.393 1.958 20 5 DDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000423989986 420294808 /nfs/dbraw/zinc/29/48/08/420294808.db2.gz YYBVIIDKJAFRQC-ZYHUDNBSSA-N 2 2 315.333 1.200 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442765165 420711422 /nfs/dbraw/zinc/71/14/22/420711422.db2.gz HBUUUYDIFZWWNT-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442765165 420711424 /nfs/dbraw/zinc/71/14/24/420711424.db2.gz HBUUUYDIFZWWNT-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000564425682 421586053 /nfs/dbraw/zinc/58/60/53/421586053.db2.gz JSPSBBLWRJNZFK-GFCCVEGCSA-N 2 2 307.354 1.010 20 5 DDBDLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000564425682 421586054 /nfs/dbraw/zinc/58/60/54/421586054.db2.gz JSPSBBLWRJNZFK-GFCCVEGCSA-N 2 2 307.354 1.010 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422733283 280363428 /nfs/dbraw/zinc/36/34/28/280363428.db2.gz AURLRQASOFLVHM-JKSUJKDBSA-N 2 2 305.378 1.494 20 5 DDBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000563419477 307969719 /nfs/dbraw/zinc/96/97/19/307969719.db2.gz WQOABPKQSLKQTC-WFASDCNBSA-N 2 2 305.378 1.628 20 5 DDBDLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538212 896494325 /nfs/dbraw/zinc/49/43/25/896494325.db2.gz RKEKZAXINMJCHL-OCCSQVGLSA-N 2 2 323.393 1.786 20 5 DDBDLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595907501 356701128 /nfs/dbraw/zinc/70/11/28/356701128.db2.gz WBOYCXSEPOGKJV-CHWSQXEVSA-N 2 2 310.329 1.295 20 5 DDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598990166 357785464 /nfs/dbraw/zinc/78/54/64/357785464.db2.gz ITNGYXMCYNJBJL-AWEZNQCLSA-N 2 2 306.366 1.024 20 5 DDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598990166 357785466 /nfs/dbraw/zinc/78/54/66/357785466.db2.gz ITNGYXMCYNJBJL-AWEZNQCLSA-N 2 2 306.366 1.024 20 5 DDBDLP Cc1cnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284013 360408516 /nfs/dbraw/zinc/40/85/16/360408516.db2.gz YNDDSZDYEABKAX-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1cnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284013 360408519 /nfs/dbraw/zinc/40/85/19/360408519.db2.gz YNDDSZDYEABKAX-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351494187 284342827 /nfs/dbraw/zinc/34/28/27/284342827.db2.gz NTQKFTYUGUMKJM-YUTCNCBUSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351494187 284342829 /nfs/dbraw/zinc/34/28/29/284342829.db2.gz NTQKFTYUGUMKJM-YUTCNCBUSA-N 2 2 318.377 1.511 20 5 DDBDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266220819 205192185 /nfs/dbraw/zinc/19/21/85/205192185.db2.gz ZFBKHIOSZZSIPX-LBPRGKRZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261950958 407687552 /nfs/dbraw/zinc/68/75/52/407687552.db2.gz MXZAAYRADVPSBV-NSHDSACASA-N 2 2 306.366 1.125 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261950958 407687556 /nfs/dbraw/zinc/68/75/56/407687556.db2.gz MXZAAYRADVPSBV-NSHDSACASA-N 2 2 306.366 1.125 20 5 DDBDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265198927 408577825 /nfs/dbraw/zinc/57/78/25/408577825.db2.gz JEBJVJMMWMFVBJ-UHFFFAOYSA-N 2 2 307.394 1.873 20 5 DDBDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265198927 408577831 /nfs/dbraw/zinc/57/78/31/408577831.db2.gz JEBJVJMMWMFVBJ-UHFFFAOYSA-N 2 2 307.394 1.873 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351864491 410303460 /nfs/dbraw/zinc/30/34/60/410303460.db2.gz YIICHPTVCPBMDO-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351864491 410303467 /nfs/dbraw/zinc/30/34/67/410303467.db2.gz YIICHPTVCPBMDO-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000580328809 422920370 /nfs/dbraw/zinc/92/03/70/422920370.db2.gz IYMWHKGOQVEIGE-GFCCVEGCSA-N 2 2 318.377 1.155 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000580328809 422920374 /nfs/dbraw/zinc/92/03/74/422920374.db2.gz IYMWHKGOQVEIGE-GFCCVEGCSA-N 2 2 318.377 1.155 20 5 DDBDLP O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000415101726 419944191 /nfs/dbraw/zinc/94/41/91/419944191.db2.gz ICBLQFUBHAMLQU-ZDUSSCGKSA-N 2 2 305.382 1.111 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430591874 420150184 /nfs/dbraw/zinc/15/01/84/420150184.db2.gz PAOLSDKIWFJYBN-GFCCVEGCSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430591874 420150188 /nfs/dbraw/zinc/15/01/88/420150188.db2.gz PAOLSDKIWFJYBN-GFCCVEGCSA-N 2 2 306.366 1.655 20 5 DDBDLP C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000430974490 420230045 /nfs/dbraw/zinc/23/00/45/420230045.db2.gz ZZMFHEMVIZZMKC-BXUZGUMPSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000430974490 420230049 /nfs/dbraw/zinc/23/00/49/420230049.db2.gz ZZMFHEMVIZZMKC-BXUZGUMPSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420360917 420236667 /nfs/dbraw/zinc/23/66/67/420236667.db2.gz HOUVAILUZICTIX-HSMVNMDESA-N 2 2 320.393 1.534 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759114 420708752 /nfs/dbraw/zinc/70/87/52/420708752.db2.gz KGJMNTNXFKZLLW-UTUOFQBUSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759114 420708755 /nfs/dbraw/zinc/70/87/55/420708755.db2.gz KGJMNTNXFKZLLW-UTUOFQBUSA-N 2 2 306.366 1.591 20 5 DDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000560267415 421242583 /nfs/dbraw/zinc/24/25/83/421242583.db2.gz CEESBBYVOYCUGR-AWEZNQCLSA-N 2 2 320.349 1.211 20 5 DDBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966066 278345198 /nfs/dbraw/zinc/34/51/98/278345198.db2.gz YMDCZEFZDXGTBS-IUODEOHRSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966066 278345200 /nfs/dbraw/zinc/34/52/00/278345200.db2.gz YMDCZEFZDXGTBS-IUODEOHRSA-N 2 2 320.393 1.585 20 5 DDBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[NH+]1CCCC1 ZINC000796112229 699913137 /nfs/dbraw/zinc/91/31/37/699913137.db2.gz INODRDDTPZBKFP-HNNXBMFYSA-N 2 2 307.394 1.526 20 5 DDBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[NH+]1CCCC1 ZINC000796112229 699913138 /nfs/dbraw/zinc/91/31/38/699913138.db2.gz INODRDDTPZBKFP-HNNXBMFYSA-N 2 2 307.394 1.526 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000843062694 702811085 /nfs/dbraw/zinc/81/10/85/702811085.db2.gz RERBHLNKBIXNKW-CVEARBPZSA-N 2 2 323.393 1.065 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000843086730 702816136 /nfs/dbraw/zinc/81/61/36/702816136.db2.gz HUUDLVPJKIQTBT-CVEARBPZSA-N 2 2 323.393 1.065 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000843086730 702816138 /nfs/dbraw/zinc/81/61/38/702816138.db2.gz HUUDLVPJKIQTBT-CVEARBPZSA-N 2 2 323.393 1.065 20 5 DDBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000892946994 710530299 /nfs/dbraw/zinc/53/02/99/710530299.db2.gz WAVMPJARLWECHD-LLVKDONJSA-N 2 2 309.366 1.740 20 5 DDBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000892946994 710530301 /nfs/dbraw/zinc/53/03/01/710530301.db2.gz WAVMPJARLWECHD-LLVKDONJSA-N 2 2 309.366 1.740 20 5 DDBDLP COc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc1[N+](=O)[O-] ZINC001164206832 869014878 /nfs/dbraw/zinc/01/48/78/869014878.db2.gz GKWKHLZEKCISEW-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000591284730 355278885 /nfs/dbraw/zinc/27/88/85/355278885.db2.gz CMEHVFOSQNUROC-AAEUAGOBSA-N 2 2 321.377 1.783 20 5 DDBDLP C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000591284730 355278887 /nfs/dbraw/zinc/27/88/87/355278887.db2.gz CMEHVFOSQNUROC-AAEUAGOBSA-N 2 2 321.377 1.783 20 5 DDBDLP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000602594294 359060752 /nfs/dbraw/zinc/06/07/52/359060752.db2.gz RAQLUOOQOLKEPN-GFCCVEGCSA-N 2 2 307.398 1.498 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000261692603 407581550 /nfs/dbraw/zinc/58/15/50/407581550.db2.gz AZDNQAFKTJTSDJ-INIZCTEOSA-N 2 2 321.377 1.797 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000261692603 407581554 /nfs/dbraw/zinc/58/15/54/407581554.db2.gz AZDNQAFKTJTSDJ-INIZCTEOSA-N 2 2 321.377 1.797 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270477151 408544643 /nfs/dbraw/zinc/54/46/43/408544643.db2.gz DSXNXIPBRBYBQI-UHFFFAOYSA-N 2 2 317.349 1.359 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423234575 419993010 /nfs/dbraw/zinc/99/30/10/419993010.db2.gz LZFSVUJJGNJKJC-ZFWWWQNUSA-N 2 2 315.377 1.759 20 5 DDBDLP O=C(CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420325407 420210110 /nfs/dbraw/zinc/21/01/10/420210110.db2.gz WDJHCQSQIQCRSY-HNNXBMFYSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420325407 420210112 /nfs/dbraw/zinc/21/01/12/420210112.db2.gz WDJHCQSQIQCRSY-HNNXBMFYSA-N 2 2 318.377 1.750 20 5 DDBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420359619 420233531 /nfs/dbraw/zinc/23/35/31/420233531.db2.gz GFEOJMCCGGLOQI-CYBMUJFWSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369066 420242038 /nfs/dbraw/zinc/24/20/38/420242038.db2.gz BJCKKAYQLJGNOG-JHJVBQTASA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369066 420242044 /nfs/dbraw/zinc/24/20/44/420242044.db2.gz BJCKKAYQLJGNOG-JHJVBQTASA-N 2 2 320.393 1.839 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435621902 420268079 /nfs/dbraw/zinc/26/80/79/420268079.db2.gz OUTFQXGUJBPBNE-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435621902 420268082 /nfs/dbraw/zinc/26/80/82/420268082.db2.gz OUTFQXGUJBPBNE-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767552 420711369 /nfs/dbraw/zinc/71/13/69/420711369.db2.gz RDEUJZQRJZFPCM-RYUDHWBXSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767552 420711371 /nfs/dbraw/zinc/71/13/71/420711371.db2.gz RDEUJZQRJZFPCM-RYUDHWBXSA-N 2 2 306.366 1.227 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000563153035 421464423 /nfs/dbraw/zinc/46/44/23/421464423.db2.gz NSONFGGTAYMSHL-LBPRGKRZSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000563153035 421464427 /nfs/dbraw/zinc/46/44/27/421464427.db2.gz NSONFGGTAYMSHL-LBPRGKRZSA-N 2 2 306.366 1.526 20 5 DDBDLP O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000372279711 307167272 /nfs/dbraw/zinc/16/72/72/307167272.db2.gz APZFUQOTTBUFEZ-CQSZACIVSA-N 2 2 307.398 1.914 20 5 DDBDLP O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000372279711 307167273 /nfs/dbraw/zinc/16/72/73/307167273.db2.gz APZFUQOTTBUFEZ-CQSZACIVSA-N 2 2 307.398 1.914 20 5 DDBDLP Cc1nc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666744 307252576 /nfs/dbraw/zinc/25/25/76/307252576.db2.gz VKKXJNTYBVKYAW-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1nc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666744 307252577 /nfs/dbraw/zinc/25/25/77/307252577.db2.gz VKKXJNTYBVKYAW-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588827 698122973 /nfs/dbraw/zinc/12/29/73/698122973.db2.gz CFHPUYIXBYEGLS-CZUORRHYSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588827 698122974 /nfs/dbraw/zinc/12/29/74/698122974.db2.gz CFHPUYIXBYEGLS-CZUORRHYSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588827 698122975 /nfs/dbraw/zinc/12/29/75/698122975.db2.gz CFHPUYIXBYEGLS-CZUORRHYSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588827 698122976 /nfs/dbraw/zinc/12/29/76/698122976.db2.gz CFHPUYIXBYEGLS-CZUORRHYSA-N 2 2 307.394 1.902 20 5 DDBDLP Cc1nc(Cl)c([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161866993 748216307 /nfs/dbraw/zinc/21/63/07/748216307.db2.gz ISZDFAYJBXTNIE-UHFFFAOYSA-N 2 2 314.777 1.182 20 5 DDBDLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169053537 762207773 /nfs/dbraw/zinc/20/77/73/762207773.db2.gz IKMCHHXCOISOHQ-KBPBESRZSA-N 2 2 320.393 1.658 20 5 DDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001173232145 777063763 /nfs/dbraw/zinc/06/37/63/777063763.db2.gz DAGJSCWXHGZBBH-GFCCVEGCSA-N 2 2 305.382 1.298 20 5 DDBDLP [NH3+]C[C@@]1(Nc2nccc(Cl)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160509105 865891131 /nfs/dbraw/zinc/89/11/31/865891131.db2.gz NMOKDACUEJLDGJ-CYBMUJFWSA-N 2 2 311.773 1.478 20 5 DDBDLP Cc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164210350 869017359 /nfs/dbraw/zinc/01/73/59/869017359.db2.gz BRIGVIIICLNFRW-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000590598866 355126234 /nfs/dbraw/zinc/12/62/34/355126234.db2.gz CKGXVCWYRJPWAH-UHFFFAOYSA-N 2 2 315.333 1.705 20 5 DDBDLP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000590598866 355126239 /nfs/dbraw/zinc/12/62/39/355126239.db2.gz CKGXVCWYRJPWAH-UHFFFAOYSA-N 2 2 315.333 1.705 20 5 DDBDLP CC[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427699 355580119 /nfs/dbraw/zinc/58/01/19/355580119.db2.gz QPTDJXKCBYRWML-AAEUAGOBSA-N 2 2 321.377 1.925 20 5 DDBDLP CC[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427699 355580122 /nfs/dbraw/zinc/58/01/22/355580122.db2.gz QPTDJXKCBYRWML-AAEUAGOBSA-N 2 2 321.377 1.925 20 5 DDBDLP CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593903792 356050816 /nfs/dbraw/zinc/05/08/16/356050816.db2.gz NYDIHOMRPJPNSJ-OAHLLOKOSA-N 2 2 322.409 1.611 20 5 DDBDLP C[NH2+]C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596655016 356943458 /nfs/dbraw/zinc/94/34/58/356943458.db2.gz PKKJDMVYRKUIEP-RISCZKNCSA-N 2 2 303.366 1.615 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)C[NH+]3CCCC3)nc2c1 ZINC000600734931 358301280 /nfs/dbraw/zinc/30/12/80/358301280.db2.gz RJPCAYKETVGEPU-LBPRGKRZSA-N 2 2 319.365 1.017 20 5 DDBDLP COc1ccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000359271176 299388491 /nfs/dbraw/zinc/38/84/91/299388491.db2.gz GBSBOVFEJOHBQC-VXGBXAGGSA-N 2 2 307.350 1.133 20 5 DDBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567648393 304231984 /nfs/dbraw/zinc/23/19/84/304231984.db2.gz LEOQPGVDCADQEK-CHWSQXEVSA-N 2 2 309.366 1.330 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422711133 533222075 /nfs/dbraw/zinc/22/20/75/533222075.db2.gz GRAUZRNZMPFUIJ-DGCLKSJQSA-N 2 2 309.366 1.460 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422718203 533222411 /nfs/dbraw/zinc/22/24/11/533222411.db2.gz PIEMKJNPXZSSRX-JKSUJKDBSA-N 2 2 321.377 1.460 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000261692606 407580145 /nfs/dbraw/zinc/58/01/45/407580145.db2.gz AZDNQAFKTJTSDJ-MRXNPFEDSA-N 2 2 321.377 1.797 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000261692606 407580152 /nfs/dbraw/zinc/58/01/52/407580152.db2.gz AZDNQAFKTJTSDJ-MRXNPFEDSA-N 2 2 321.377 1.797 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863467 410301686 /nfs/dbraw/zinc/30/16/86/410301686.db2.gz UBBGRBRRDFTNMU-HUBLWGQQSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863467 410301689 /nfs/dbraw/zinc/30/16/89/410301689.db2.gz UBBGRBRRDFTNMU-HUBLWGQQSA-N 2 2 318.377 1.369 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035522 418571370 /nfs/dbraw/zinc/57/13/70/418571370.db2.gz NWHVANVFSOLSMD-GFCCVEGCSA-N 2 2 305.382 1.570 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035522 418571372 /nfs/dbraw/zinc/57/13/72/418571372.db2.gz NWHVANVFSOLSMD-GFCCVEGCSA-N 2 2 305.382 1.570 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424338634 228259567 /nfs/dbraw/zinc/25/95/67/228259567.db2.gz URKODBQHPLOQOU-VXGBXAGGSA-N 2 2 306.366 1.701 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643308 420170252 /nfs/dbraw/zinc/17/02/52/420170252.db2.gz XACJAMWTXDPJDH-CHWSQXEVSA-N 2 2 320.393 1.853 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643308 420170255 /nfs/dbraw/zinc/17/02/55/420170255.db2.gz XACJAMWTXDPJDH-CHWSQXEVSA-N 2 2 320.393 1.853 20 5 DDBDLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000430954096 420222531 /nfs/dbraw/zinc/22/25/31/420222531.db2.gz IPBNPHHNOCVDET-UGFHNGPFSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1[NH3+] ZINC000430954096 420222536 /nfs/dbraw/zinc/22/25/36/420222536.db2.gz IPBNPHHNOCVDET-UGFHNGPFSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767547 420711269 /nfs/dbraw/zinc/71/12/69/420711269.db2.gz RDEUJZQRJZFPCM-NEPJUHHUSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767547 420711273 /nfs/dbraw/zinc/71/12/73/420711273.db2.gz RDEUJZQRJZFPCM-NEPJUHHUSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449398917 421007678 /nfs/dbraw/zinc/00/76/78/421007678.db2.gz WYNKDZYNDPHJBG-GDBMZVCRSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449398917 421007680 /nfs/dbraw/zinc/00/76/80/421007680.db2.gz WYNKDZYNDPHJBG-GDBMZVCRSA-N 2 2 321.421 1.962 20 5 DDBDLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000354379038 298417347 /nfs/dbraw/zinc/41/73/47/298417347.db2.gz DDYDXRGQJOMHNX-UHFFFAOYSA-N 2 2 320.393 1.807 20 5 DDBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370167171 301287662 /nfs/dbraw/zinc/28/76/62/301287662.db2.gz KKUIKBGUGLPTHH-LBPRGKRZSA-N 2 2 304.354 1.498 20 5 DDBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370167171 301287663 /nfs/dbraw/zinc/28/76/63/301287663.db2.gz KKUIKBGUGLPTHH-LBPRGKRZSA-N 2 2 304.354 1.498 20 5 DDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568621010 308124519 /nfs/dbraw/zinc/12/45/19/308124519.db2.gz KIQRXOYMCMWAJH-QWHCGFSZSA-N 2 2 320.349 1.209 20 5 DDBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCCC1 ZINC000796112232 699913262 /nfs/dbraw/zinc/91/32/62/699913262.db2.gz INODRDDTPZBKFP-OAHLLOKOSA-N 2 2 307.394 1.526 20 5 DDBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCCC1 ZINC000796112232 699913264 /nfs/dbraw/zinc/91/32/64/699913264.db2.gz INODRDDTPZBKFP-OAHLLOKOSA-N 2 2 307.394 1.526 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000819323309 704107240 /nfs/dbraw/zinc/10/72/40/704107240.db2.gz ZIBAMQBWSVVNRL-ABAIWWIYSA-N 2 2 302.334 1.498 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863566930 705959620 /nfs/dbraw/zinc/95/96/20/705959620.db2.gz AMVPQCOMOPBVGS-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863566930 705959622 /nfs/dbraw/zinc/95/96/22/705959622.db2.gz AMVPQCOMOPBVGS-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169073735 762221318 /nfs/dbraw/zinc/22/13/18/762221318.db2.gz BETPUZBDRMKWTL-LLVKDONJSA-N 2 2 313.317 1.191 20 5 DDBDLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267232729 837574737 /nfs/dbraw/zinc/57/47/37/837574737.db2.gz LKBSCJFDHXQLMX-UHFFFAOYSA-N 2 2 322.409 1.483 20 5 DDBDLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267232729 837574756 /nfs/dbraw/zinc/57/47/56/837574756.db2.gz LKBSCJFDHXQLMX-UHFFFAOYSA-N 2 2 322.409 1.483 20 5 DDBDLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267232729 837574766 /nfs/dbraw/zinc/57/47/66/837574766.db2.gz LKBSCJFDHXQLMX-UHFFFAOYSA-N 2 2 322.409 1.483 20 5 DDBDLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267232729 837574777 /nfs/dbraw/zinc/57/47/77/837574777.db2.gz LKBSCJFDHXQLMX-UHFFFAOYSA-N 2 2 322.409 1.483 20 5 DDBDLP C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080303 885195559 /nfs/dbraw/zinc/19/55/59/885195559.db2.gz BGOQCUMSBDEMNF-CYBMUJFWSA-N 2 2 304.370 1.439 20 5 DDBDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550847 185302258 /nfs/dbraw/zinc/30/22/58/185302258.db2.gz ZULAFDQXPPPVQS-AWEZNQCLSA-N 2 2 322.409 1.563 20 5 DDBDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550847 185302259 /nfs/dbraw/zinc/30/22/59/185302259.db2.gz ZULAFDQXPPPVQS-AWEZNQCLSA-N 2 2 322.409 1.563 20 5 DDBDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550847 185302260 /nfs/dbraw/zinc/30/22/60/185302260.db2.gz ZULAFDQXPPPVQS-AWEZNQCLSA-N 2 2 322.409 1.563 20 5 DDBDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550847 185302261 /nfs/dbraw/zinc/30/22/61/185302261.db2.gz ZULAFDQXPPPVQS-AWEZNQCLSA-N 2 2 322.409 1.563 20 5 DDBDLP CCC([NH3+])(CC)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591275484 355275316 /nfs/dbraw/zinc/27/53/16/355275316.db2.gz IKVOAZJOAMMHMF-UHFFFAOYSA-N 2 2 309.366 1.973 20 5 DDBDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159466 304047737 /nfs/dbraw/zinc/04/77/37/304047737.db2.gz YVFNQMVCYPTKCR-INIZCTEOSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159466 304047740 /nfs/dbraw/zinc/04/77/40/304047740.db2.gz YVFNQMVCYPTKCR-INIZCTEOSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159466 304047743 /nfs/dbraw/zinc/04/77/43/304047743.db2.gz YVFNQMVCYPTKCR-INIZCTEOSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159466 304047745 /nfs/dbraw/zinc/04/77/45/304047745.db2.gz YVFNQMVCYPTKCR-INIZCTEOSA-N 2 2 307.394 1.872 20 5 DDBDLP COc1cc(C[NH2+]CC2([NH3+])CCCC2)c([N+](=O)[O-])cc1OC ZINC000594738108 356302387 /nfs/dbraw/zinc/30/23/87/356302387.db2.gz HLYAJBQWYOAHAL-UHFFFAOYSA-N 2 2 309.366 1.973 20 5 DDBDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067271 356759981 /nfs/dbraw/zinc/75/99/81/356759981.db2.gz YGPNBXUNMFOTCT-ZIAGYGMSSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067271 356759986 /nfs/dbraw/zinc/75/99/86/356759986.db2.gz YGPNBXUNMFOTCT-ZIAGYGMSSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC1([NH+](C)C)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602966623 359330184 /nfs/dbraw/zinc/33/01/84/359330184.db2.gz MAIMTIOHTXINKF-UHFFFAOYSA-N 2 2 309.414 1.906 20 5 DDBDLP Cc1c(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000602989201 359341196 /nfs/dbraw/zinc/34/11/96/359341196.db2.gz HFWPDDZKMWHGHF-UHFFFAOYSA-N 2 2 320.393 1.109 20 5 DDBDLP Cc1c(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000602989201 359341200 /nfs/dbraw/zinc/34/12/00/359341200.db2.gz HFWPDDZKMWHGHF-UHFFFAOYSA-N 2 2 320.393 1.109 20 5 DDBDLP Cc1c([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000610805631 360541468 /nfs/dbraw/zinc/54/14/68/360541468.db2.gz LKNVKQLSDCNLQC-ZDUSSCGKSA-N 2 2 320.393 1.328 20 5 DDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629453 408368886 /nfs/dbraw/zinc/36/88/86/408368886.db2.gz FAGUJVBMSMTZCX-BBRMVZONSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629453 408368888 /nfs/dbraw/zinc/36/88/88/408368888.db2.gz FAGUJVBMSMTZCX-BBRMVZONSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629453 408368892 /nfs/dbraw/zinc/36/88/92/408368892.db2.gz FAGUJVBMSMTZCX-BBRMVZONSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629453 408368895 /nfs/dbraw/zinc/36/88/95/408368895.db2.gz FAGUJVBMSMTZCX-BBRMVZONSA-N 2 2 307.394 1.902 20 5 DDBDLP CO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000359048196 410549870 /nfs/dbraw/zinc/54/98/70/410549870.db2.gz VIUKLIRXIZQZDM-ZFWWWQNUSA-N 2 2 309.366 1.412 20 5 DDBDLP CO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000359048196 410549874 /nfs/dbraw/zinc/54/98/74/410549874.db2.gz VIUKLIRXIZQZDM-ZFWWWQNUSA-N 2 2 309.366 1.412 20 5 DDBDLP Cc1cc[nH+]cc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000340108056 410680246 /nfs/dbraw/zinc/68/02/46/410680246.db2.gz HIFUFJFXEKNRPC-UHFFFAOYSA-N 2 2 316.365 1.317 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000580328810 422921248 /nfs/dbraw/zinc/92/12/48/422921248.db2.gz IYMWHKGOQVEIGE-LBPRGKRZSA-N 2 2 318.377 1.155 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000580328810 422921251 /nfs/dbraw/zinc/92/12/51/422921251.db2.gz IYMWHKGOQVEIGE-LBPRGKRZSA-N 2 2 318.377 1.155 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423178630 227391150 /nfs/dbraw/zinc/39/11/50/227391150.db2.gz CGLWDTBKRYKZDT-HIFRSBDPSA-N 2 2 315.377 1.759 20 5 DDBDLP COC[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414945943 419887421 /nfs/dbraw/zinc/88/74/21/419887421.db2.gz RORGJJMGLKWGMW-IEXSPKMKSA-N 2 2 305.378 1.966 20 5 DDBDLP COc1cc(C[NH2+]CCC[NH2+]C2CC2)c([N+](=O)[O-])cc1OC ZINC000415065266 419928990 /nfs/dbraw/zinc/92/89/90/419928990.db2.gz FTIPGYUWKSBRSM-UHFFFAOYSA-N 2 2 309.366 1.844 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000420344082 420222889 /nfs/dbraw/zinc/22/28/89/420222889.db2.gz RZAFVSFNAXPKSM-DOMZBBRYSA-N 2 2 318.377 1.526 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000420344082 420222893 /nfs/dbraw/zinc/22/28/93/420222893.db2.gz RZAFVSFNAXPKSM-DOMZBBRYSA-N 2 2 318.377 1.526 20 5 DDBDLP CN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000420359719 420234579 /nfs/dbraw/zinc/23/45/79/420234579.db2.gz KFEWDEOAXNNFLU-CYBMUJFWSA-N 2 2 308.382 1.521 20 5 DDBDLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124558 420248880 /nfs/dbraw/zinc/24/88/80/420248880.db2.gz DFUFHWRUKBKWQV-WFASDCNBSA-N 2 2 307.394 1.829 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442755891 420707167 /nfs/dbraw/zinc/70/71/67/420707167.db2.gz JNCUANNMBPDUTE-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442755891 420707171 /nfs/dbraw/zinc/70/71/71/420707171.db2.gz JNCUANNMBPDUTE-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000819323310 704107421 /nfs/dbraw/zinc/10/74/21/704107421.db2.gz ZIBAMQBWSVVNRL-IAQYHMDHSA-N 2 2 302.334 1.498 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001184387310 744031360 /nfs/dbraw/zinc/03/13/60/744031360.db2.gz IVUBZHDSDNQJDB-YNEHKIRRSA-N 2 2 321.377 1.739 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001184387310 744031363 /nfs/dbraw/zinc/03/13/63/744031363.db2.gz IVUBZHDSDNQJDB-YNEHKIRRSA-N 2 2 321.377 1.739 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001157914888 864254010 /nfs/dbraw/zinc/25/40/10/864254010.db2.gz GLBMGCPTVLOUIT-UHFFFAOYSA-N 2 2 303.326 1.065 20 5 DDBDLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC23CC3)c([N+](=O)[O-])c1 ZINC001246136298 892432939 /nfs/dbraw/zinc/43/29/39/892432939.db2.gz WGQKOCHSBURVSX-IAQYHMDHSA-N 2 2 305.378 1.876 20 5 DDBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000591278412 355276848 /nfs/dbraw/zinc/27/68/48/355276848.db2.gz ZEJUKCQGVSCWFB-ZYHUDNBSSA-N 2 2 307.350 1.596 20 5 DDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157959 304047261 /nfs/dbraw/zinc/04/72/61/304047261.db2.gz RHOHQERMQIUALE-RYUDHWBXSA-N 2 2 306.366 1.369 20 5 DDBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157956 304047081 /nfs/dbraw/zinc/04/70/81/304047081.db2.gz RHOHQERMQIUALE-NWDGAFQWSA-N 2 2 306.366 1.369 20 5 DDBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157956 304047083 /nfs/dbraw/zinc/04/70/83/304047083.db2.gz RHOHQERMQIUALE-NWDGAFQWSA-N 2 2 306.366 1.369 20 5 DDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157959 304047262 /nfs/dbraw/zinc/04/72/62/304047262.db2.gz RHOHQERMQIUALE-RYUDHWBXSA-N 2 2 306.366 1.369 20 5 DDBDLP COc1ccc(OCC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681750 357685362 /nfs/dbraw/zinc/68/53/62/357685362.db2.gz JIJPDRJQEQHHBW-WBMJQRKESA-N 2 2 321.377 1.795 20 5 DDBDLP COc1ccc(OCC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681750 357685366 /nfs/dbraw/zinc/68/53/66/357685366.db2.gz JIJPDRJQEQHHBW-WBMJQRKESA-N 2 2 321.377 1.795 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000602675564 359119685 /nfs/dbraw/zinc/11/96/85/359119685.db2.gz ULCKIYQEKUYOAC-MRXNPFEDSA-N 2 2 307.394 1.574 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000602675564 359119688 /nfs/dbraw/zinc/11/96/88/359119688.db2.gz ULCKIYQEKUYOAC-MRXNPFEDSA-N 2 2 307.394 1.574 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261674110 407574048 /nfs/dbraw/zinc/57/40/48/407574048.db2.gz JHVASLIZNCZIAG-ABAIWWIYSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261674110 407574055 /nfs/dbraw/zinc/57/40/55/407574055.db2.gz JHVASLIZNCZIAG-ABAIWWIYSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850773 407641704 /nfs/dbraw/zinc/64/17/04/407641704.db2.gz DLJGIGAKBCLUHQ-VXGBXAGGSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850773 407641707 /nfs/dbraw/zinc/64/17/07/407641707.db2.gz DLJGIGAKBCLUHQ-VXGBXAGGSA-N 2 2 306.366 1.593 20 5 DDBDLP C[NH+](C)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182243889 408102724 /nfs/dbraw/zinc/10/27/24/408102724.db2.gz NNRMCZCZWCUUIC-AWEZNQCLSA-N 2 2 323.393 1.361 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129539778 196056204 /nfs/dbraw/zinc/05/62/04/196056204.db2.gz WDNFHIONDOKXGO-INIZCTEOSA-N 2 2 319.405 1.791 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129539778 196056206 /nfs/dbraw/zinc/05/62/06/196056206.db2.gz WDNFHIONDOKXGO-INIZCTEOSA-N 2 2 319.405 1.791 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430562003 420138044 /nfs/dbraw/zinc/13/80/44/420138044.db2.gz PEXYZPIJOYEQOA-UHFFFAOYSA-N 2 2 308.382 1.758 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430562003 420138051 /nfs/dbraw/zinc/13/80/51/420138051.db2.gz PEXYZPIJOYEQOA-UHFFFAOYSA-N 2 2 308.382 1.758 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430564490 420139578 /nfs/dbraw/zinc/13/95/78/420139578.db2.gz BHZRMUFJGIGRDO-YNEHKIRRSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430564490 420139583 /nfs/dbraw/zinc/13/95/83/420139583.db2.gz BHZRMUFJGIGRDO-YNEHKIRRSA-N 2 2 320.393 1.981 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420370823 420242917 /nfs/dbraw/zinc/24/29/17/420242917.db2.gz CXARTFMMCYLMSP-AAEUAGOBSA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420370823 420242921 /nfs/dbraw/zinc/24/29/21/420242921.db2.gz CXARTFMMCYLMSP-AAEUAGOBSA-N 2 2 320.393 1.758 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767550 420711773 /nfs/dbraw/zinc/71/17/73/420711773.db2.gz RDEUJZQRJZFPCM-NWDGAFQWSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000442767550 420711776 /nfs/dbraw/zinc/71/17/76/420711776.db2.gz RDEUJZQRJZFPCM-NWDGAFQWSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903699 422674039 /nfs/dbraw/zinc/67/40/39/422674039.db2.gz SRWYXPNYDZOJJZ-YPMHNXCESA-N 2 2 318.377 1.296 20 5 DDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903699 422674042 /nfs/dbraw/zinc/67/40/42/422674042.db2.gz SRWYXPNYDZOJJZ-YPMHNXCESA-N 2 2 318.377 1.296 20 5 DDBDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000817973980 702541040 /nfs/dbraw/zinc/54/10/40/702541040.db2.gz HWAJKCWEQSUUAB-NHYWBVRUSA-N 2 2 308.382 1.596 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000819323311 704107303 /nfs/dbraw/zinc/10/73/03/704107303.db2.gz ZIBAMQBWSVVNRL-NHYWBVRUSA-N 2 2 302.334 1.498 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923365514 714329278 /nfs/dbraw/zinc/32/92/78/714329278.db2.gz FPXUHMOQXRDEPK-CVEARBPZSA-N 2 2 305.378 1.704 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923365514 714329280 /nfs/dbraw/zinc/32/92/80/714329280.db2.gz FPXUHMOQXRDEPK-CVEARBPZSA-N 2 2 305.378 1.704 20 5 DDBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398771 714342069 /nfs/dbraw/zinc/34/20/69/714342069.db2.gz LVSYQTIXVZGIER-WFASDCNBSA-N 2 2 321.377 1.209 20 5 DDBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC001158258874 767906860 /nfs/dbraw/zinc/90/68/60/767906860.db2.gz KXLGRHQUAIQYKR-SNVBAGLBSA-N 2 2 309.345 1.131 20 5 DDBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC001158258874 767906863 /nfs/dbraw/zinc/90/68/63/767906863.db2.gz KXLGRHQUAIQYKR-SNVBAGLBSA-N 2 2 309.345 1.131 20 5 DDBDLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404307953 354676054 /nfs/dbraw/zinc/67/60/54/354676054.db2.gz IYDBJMZNRLOARJ-OCCSQVGLSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404307953 354676057 /nfs/dbraw/zinc/67/60/57/354676057.db2.gz IYDBJMZNRLOARJ-OCCSQVGLSA-N 2 2 320.393 1.983 20 5 DDBDLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592486137 355596181 /nfs/dbraw/zinc/59/61/81/355596181.db2.gz SLZRBMANGZMYBE-JSGCOSHPSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592486137 355596182 /nfs/dbraw/zinc/59/61/82/355596182.db2.gz SLZRBMANGZMYBE-JSGCOSHPSA-N 2 2 320.393 1.901 20 5 DDBDLP CCO[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000593737333 355982178 /nfs/dbraw/zinc/98/21/78/355982178.db2.gz WRULADYVWOFYGR-QMTHXVAHSA-N 2 2 320.349 1.532 20 5 DDBDLP CCO[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000593737333 355982182 /nfs/dbraw/zinc/98/21/82/355982182.db2.gz WRULADYVWOFYGR-QMTHXVAHSA-N 2 2 320.349 1.532 20 5 DDBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000593907393 356053452 /nfs/dbraw/zinc/05/34/52/356053452.db2.gz RDHBXPPPAXNOAJ-OAHLLOKOSA-N 2 2 320.393 1.365 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595907342 356700598 /nfs/dbraw/zinc/70/05/98/356700598.db2.gz AUWHINQNYMETRL-UHFFFAOYSA-N 2 2 318.377 1.655 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595907342 356700600 /nfs/dbraw/zinc/70/06/00/356700600.db2.gz AUWHINQNYMETRL-UHFFFAOYSA-N 2 2 318.377 1.655 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CC3CC2(C[NH3+])C3)cccc1[N+](=O)[O-] ZINC000595909368 356701595 /nfs/dbraw/zinc/70/15/95/356701595.db2.gz MAVQFSKOFPJTEW-UHFFFAOYSA-N 2 2 318.377 1.655 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CC3CC2(C[NH3+])C3)cccc1[N+](=O)[O-] ZINC000595909368 356701596 /nfs/dbraw/zinc/70/15/96/356701596.db2.gz MAVQFSKOFPJTEW-UHFFFAOYSA-N 2 2 318.377 1.655 20 5 DDBDLP Cc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000600776100 358312885 /nfs/dbraw/zinc/31/28/85/358312885.db2.gz OUTDJDFWVNRFQW-UHFFFAOYSA-N 2 2 303.322 1.147 20 5 DDBDLP C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@H]1C[N@H+](C)CCO1 ZINC000601130822 358415668 /nfs/dbraw/zinc/41/56/68/358415668.db2.gz CHCBZVWZOUYXHE-MEDUHNTESA-N 2 2 316.361 1.696 20 5 DDBDLP C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@H]1C[N@@H+](C)CCO1 ZINC000601130822 358415672 /nfs/dbraw/zinc/41/56/72/358415672.db2.gz CHCBZVWZOUYXHE-MEDUHNTESA-N 2 2 316.361 1.696 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602894639 359278530 /nfs/dbraw/zinc/27/85/30/359278530.db2.gz YLHVSLIXWVEWRW-INIZCTEOSA-N 2 2 323.393 1.362 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602894639 359278535 /nfs/dbraw/zinc/27/85/35/359278535.db2.gz YLHVSLIXWVEWRW-INIZCTEOSA-N 2 2 323.393 1.362 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571064 360326235 /nfs/dbraw/zinc/32/62/35/360326235.db2.gz MPRYIBUDMAUPJL-LBPRGKRZSA-N 2 2 305.382 1.570 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571064 360326239 /nfs/dbraw/zinc/32/62/39/360326239.db2.gz MPRYIBUDMAUPJL-LBPRGKRZSA-N 2 2 305.382 1.570 20 5 DDBDLP C[C@H](CC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000349988951 284128102 /nfs/dbraw/zinc/12/81/02/284128102.db2.gz NRMGLRVQLFSJJC-SNVBAGLBSA-N 2 2 303.322 1.248 20 5 DDBDLP CN(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000352516929 285108403 /nfs/dbraw/zinc/10/84/03/285108403.db2.gz ATYWYCGHWBTPQR-AWEZNQCLSA-N 2 2 320.393 1.761 20 5 DDBDLP CN(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000352516929 285108405 /nfs/dbraw/zinc/10/84/05/285108405.db2.gz ATYWYCGHWBTPQR-AWEZNQCLSA-N 2 2 320.393 1.761 20 5 DDBDLP Cc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000352701208 285238938 /nfs/dbraw/zinc/23/89/38/285238938.db2.gz GHKNJDYRXAUWBB-HNNXBMFYSA-N 2 2 304.394 1.383 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261663147 407571648 /nfs/dbraw/zinc/57/16/48/407571648.db2.gz IKXDHGZTFKZTPR-NHYWBVRUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261663147 407571650 /nfs/dbraw/zinc/57/16/50/407571650.db2.gz IKXDHGZTFKZTPR-NHYWBVRUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261730831 407595705 /nfs/dbraw/zinc/59/57/05/407595705.db2.gz OJHWHITZEPOGCF-IAQYHMDHSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261730831 407595708 /nfs/dbraw/zinc/59/57/08/407595708.db2.gz OJHWHITZEPOGCF-IAQYHMDHSA-N 2 2 306.366 1.593 20 5 DDBDLP [NH3+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000261943204 407681333 /nfs/dbraw/zinc/68/13/33/407681333.db2.gz NXVXDJZMYRLPPM-GFCCVEGCSA-N 2 2 315.333 1.248 20 5 DDBDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000270805589 408688215 /nfs/dbraw/zinc/68/82/15/408688215.db2.gz GGMUYYHPQGLAJA-UHFFFAOYSA-N 2 2 315.377 1.922 20 5 DDBDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607213 409147478 /nfs/dbraw/zinc/14/74/78/409147478.db2.gz GIUCNAASJYYCCI-DGCLKSJQSA-N 2 2 308.382 1.284 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346087014 409770954 /nfs/dbraw/zinc/77/09/54/409770954.db2.gz VDWOOKUSHHUDAG-NSHDSACASA-N 2 2 322.365 1.355 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346087014 409770960 /nfs/dbraw/zinc/77/09/60/409770960.db2.gz VDWOOKUSHHUDAG-NSHDSACASA-N 2 2 322.365 1.355 20 5 DDBDLP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000357643743 410157267 /nfs/dbraw/zinc/15/72/67/410157267.db2.gz BIFQVUKBLQGNKA-UHFFFAOYSA-N 2 2 307.394 1.526 20 5 DDBDLP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCO)CC1 ZINC000357643743 410157269 /nfs/dbraw/zinc/15/72/69/410157269.db2.gz BIFQVUKBLQGNKA-UHFFFAOYSA-N 2 2 307.394 1.526 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420360442 226473338 /nfs/dbraw/zinc/47/33/38/226473338.db2.gz HDQOPAGQOPUWJY-SLEUVZQESA-N 2 2 320.393 1.818 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360572296 418468865 /nfs/dbraw/zinc/46/88/65/418468865.db2.gz XDRJEJKWRMGZOE-MRXNPFEDSA-N 2 2 321.377 1.668 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360572296 418468869 /nfs/dbraw/zinc/46/88/69/418468869.db2.gz XDRJEJKWRMGZOE-MRXNPFEDSA-N 2 2 321.377 1.668 20 5 DDBDLP COC[C@]1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414949214 419886246 /nfs/dbraw/zinc/88/62/46/419886246.db2.gz ZEARYYNYGNQRLK-OAHLLOKOSA-N 2 2 309.366 1.462 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430549474 420133357 /nfs/dbraw/zinc/13/33/57/420133357.db2.gz XUPOKQQAHXXOBS-RWMBFGLXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430549474 420133361 /nfs/dbraw/zinc/13/33/61/420133361.db2.gz XUPOKQQAHXXOBS-RWMBFGLXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767505 420712068 /nfs/dbraw/zinc/71/20/68/420712068.db2.gz RASQXNCCOZMIMB-IJLUTSLNSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767505 420712070 /nfs/dbraw/zinc/71/20/70/420712070.db2.gz RASQXNCCOZMIMB-IJLUTSLNSA-N 2 2 306.366 1.591 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442792759 420714955 /nfs/dbraw/zinc/71/49/55/420714955.db2.gz QWGUKDPEHZIYHJ-KGYLQXTDSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442792759 420714957 /nfs/dbraw/zinc/71/49/57/420714957.db2.gz QWGUKDPEHZIYHJ-KGYLQXTDSA-N 2 2 320.393 1.899 20 5 DDBDLP CC[N@H+](CCO)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344788821 272118790 /nfs/dbraw/zinc/11/87/90/272118790.db2.gz RRZJZMFXZBWULU-SDNWHVSQSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](CCO)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344788821 272118792 /nfs/dbraw/zinc/11/87/92/272118792.db2.gz RRZJZMFXZBWULU-SDNWHVSQSA-N 2 2 307.394 1.902 20 5 DDBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000362699971 300118019 /nfs/dbraw/zinc/11/80/19/300118019.db2.gz XFEUHDOGPQCDLV-GFCCVEGCSA-N 2 2 324.406 1.053 20 5 DDBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000362699971 300118021 /nfs/dbraw/zinc/11/80/21/300118021.db2.gz XFEUHDOGPQCDLV-GFCCVEGCSA-N 2 2 324.406 1.053 20 5 DDBDLP C[N@@H+]1CCCC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000363653057 300292805 /nfs/dbraw/zinc/29/28/05/300292805.db2.gz SNPKXCHMUPXYSE-UHFFFAOYSA-N 2 2 320.393 1.317 20 5 DDBDLP C[N@H+]1CCCC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000363653057 300292807 /nfs/dbraw/zinc/29/28/07/300292807.db2.gz SNPKXCHMUPXYSE-UHFFFAOYSA-N 2 2 320.393 1.317 20 5 DDBDLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876926925 705927252 /nfs/dbraw/zinc/92/72/52/705927252.db2.gz LFEGAPDSTYYHFX-HSBZDZAISA-N 2 2 307.398 1.959 20 5 DDBDLP Cn1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000903812490 711288815 /nfs/dbraw/zinc/28/88/15/711288815.db2.gz ULDIFFKTPRDCTG-ZDUSSCGKSA-N 2 2 307.398 1.812 20 5 DDBDLP Cn1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000903812490 711288818 /nfs/dbraw/zinc/28/88/18/711288818.db2.gz ULDIFFKTPRDCTG-ZDUSSCGKSA-N 2 2 307.398 1.812 20 5 DDBDLP COc1ncnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155058382 861689995 /nfs/dbraw/zinc/68/99/95/861689995.db2.gz ZTKYMQJGZWGILN-UHFFFAOYSA-N 2 2 304.310 1.046 20 5 DDBDLP C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001336739788 869118203 /nfs/dbraw/zinc/11/82/03/869118203.db2.gz QYDVVHICMAQXNM-IUODEOHRSA-N 2 2 304.350 1.751 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001254541252 896496879 /nfs/dbraw/zinc/49/68/79/896496879.db2.gz ZSRGBVOTPSRVKO-GFCCVEGCSA-N 2 2 305.382 1.298 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577225 355329538 /nfs/dbraw/zinc/32/95/38/355329538.db2.gz CXTYFICCDQHZEN-OAHLLOKOSA-N 2 2 315.377 1.759 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[NH2+]C1CC1 ZINC000591577325 355330144 /nfs/dbraw/zinc/33/01/44/355330144.db2.gz PYJGXWIMAUFJFJ-NSHDSACASA-N 2 2 306.366 1.654 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867570 356684929 /nfs/dbraw/zinc/68/49/29/356684929.db2.gz OUZSTERCCBGRBX-QGZVFWFLSA-N 2 2 319.405 1.668 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867570 356684933 /nfs/dbraw/zinc/68/49/33/356684933.db2.gz OUZSTERCCBGRBX-QGZVFWFLSA-N 2 2 319.405 1.668 20 5 DDBDLP C[N@H+](CCOCC[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600736784 358301782 /nfs/dbraw/zinc/30/17/82/358301782.db2.gz SCZWZUAJKFMCHN-UHFFFAOYSA-N 2 2 321.337 1.052 20 5 DDBDLP C[N@@H+](CCOCC[NH3+])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000600736784 358301785 /nfs/dbraw/zinc/30/17/85/358301785.db2.gz SCZWZUAJKFMCHN-UHFFFAOYSA-N 2 2 321.337 1.052 20 5 DDBDLP Cn1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])n1 ZINC000602434894 358974076 /nfs/dbraw/zinc/97/40/76/358974076.db2.gz GKNVBEXJIHMTGG-UHFFFAOYSA-N 2 2 302.338 1.046 20 5 DDBDLP C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000120202156 195118577 /nfs/dbraw/zinc/11/85/77/195118577.db2.gz XHRZIOTYENHYSJ-JSGCOSHPSA-N 2 2 304.354 1.571 20 5 DDBDLP C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000120202156 195118579 /nfs/dbraw/zinc/11/85/79/195118579.db2.gz XHRZIOTYENHYSJ-JSGCOSHPSA-N 2 2 304.354 1.571 20 5 DDBDLP COCC[NH2+]C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000568051436 304264739 /nfs/dbraw/zinc/26/47/39/304264739.db2.gz MEVGAXMJPVGVNP-UHFFFAOYSA-N 2 2 323.393 1.674 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569502915 304359232 /nfs/dbraw/zinc/35/92/32/304359232.db2.gz MELFLOVCSBXRAM-WHOFXGATSA-N 2 2 318.377 1.208 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569502915 304359234 /nfs/dbraw/zinc/35/92/34/304359234.db2.gz MELFLOVCSBXRAM-WHOFXGATSA-N 2 2 318.377 1.208 20 5 DDBDLP O=C(NC[C@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178716055 407561442 /nfs/dbraw/zinc/56/14/42/407561442.db2.gz MHNYYRAUDKYNPC-GFCCVEGCSA-N 2 2 315.333 1.262 20 5 DDBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262587163 407873992 /nfs/dbraw/zinc/87/39/92/407873992.db2.gz ZWRWMYPKOMWTMG-CJNGLKHVSA-N 2 2 304.394 1.635 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098425 409872784 /nfs/dbraw/zinc/87/27/84/409872784.db2.gz BGCBEDMASDXYOH-DGCLKSJQSA-N 2 2 321.377 1.653 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098425 409872793 /nfs/dbraw/zinc/87/27/93/409872793.db2.gz BGCBEDMASDXYOH-DGCLKSJQSA-N 2 2 321.377 1.653 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351860633 410297803 /nfs/dbraw/zinc/29/78/03/410297803.db2.gz GXRSMCQNTIQCFS-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351860633 410297808 /nfs/dbraw/zinc/29/78/08/410297808.db2.gz GXRSMCQNTIQCFS-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351862000 410300548 /nfs/dbraw/zinc/30/05/48/410300548.db2.gz MZPVXINJKRBZMT-PWSUYJOCSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000351862000 410300552 /nfs/dbraw/zinc/30/05/52/410300552.db2.gz MZPVXINJKRBZMT-PWSUYJOCSA-N 2 2 317.349 1.814 20 5 DDBDLP Cc1nc(NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000301661723 410767379 /nfs/dbraw/zinc/76/73/79/410767379.db2.gz MULUYLMEVSGGLR-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298122646 228367179 /nfs/dbraw/zinc/36/71/79/228367179.db2.gz PKNPJKQDPJHSAI-UHFFFAOYSA-N 2 2 316.365 1.317 20 5 DDBDLP COC[C@@]1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414949212 419887996 /nfs/dbraw/zinc/88/79/96/419887996.db2.gz ZEARYYNYGNQRLK-HNNXBMFYSA-N 2 2 309.366 1.462 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414962918 419896002 /nfs/dbraw/zinc/89/60/02/419896002.db2.gz SYSCDVJLGFCTJI-CMPLNLGQSA-N 2 2 309.366 1.700 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420298198 420190200 /nfs/dbraw/zinc/19/02/00/420190200.db2.gz RVYZLHUKONSBFL-CYBMUJFWSA-N 2 2 320.393 1.328 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420298198 420190204 /nfs/dbraw/zinc/19/02/04/420190204.db2.gz RVYZLHUKONSBFL-CYBMUJFWSA-N 2 2 320.393 1.328 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765055 420711027 /nfs/dbraw/zinc/71/10/27/420711027.db2.gz ITKCSJFJZJSVFG-UTUOFQBUSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765055 420711031 /nfs/dbraw/zinc/71/10/31/420711031.db2.gz ITKCSJFJZJSVFG-UTUOFQBUSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784643 420715660 /nfs/dbraw/zinc/71/56/60/420715660.db2.gz SFDVHKHNJODMRN-QWRGUYRKSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784643 420715664 /nfs/dbraw/zinc/71/56/64/420715664.db2.gz SFDVHKHNJODMRN-QWRGUYRKSA-N 2 2 317.349 1.814 20 5 DDBDLP COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424337469 307301343 /nfs/dbraw/zinc/30/13/43/307301343.db2.gz RVTOWRCABJOZGY-VXGBXAGGSA-N 2 2 322.365 1.401 20 5 DDBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000424338221 307301425 /nfs/dbraw/zinc/30/14/25/307301425.db2.gz UHAVSCMPEMIFGW-RBSFLKMASA-N 2 2 318.377 1.560 20 5 DDBDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414766015 534140065 /nfs/dbraw/zinc/14/00/65/534140065.db2.gz HCXJIMRUKWZBBR-NHYWBVRUSA-N 2 2 315.377 1.917 20 5 DDBDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414766015 534140068 /nfs/dbraw/zinc/14/00/68/534140068.db2.gz HCXJIMRUKWZBBR-NHYWBVRUSA-N 2 2 315.377 1.917 20 5 DDBDLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876931312 705928980 /nfs/dbraw/zinc/92/89/80/705928980.db2.gz LITSSAIEPWGUCU-IYXRBSQSSA-N 2 2 307.398 1.816 20 5 DDBDLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876931312 705928981 /nfs/dbraw/zinc/92/89/81/705928981.db2.gz LITSSAIEPWGUCU-IYXRBSQSSA-N 2 2 307.398 1.816 20 5 DDBDLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000903427575 711122774 /nfs/dbraw/zinc/12/27/74/711122774.db2.gz YFFCDRPRIDZMDF-KGLIPLIRSA-N 2 2 304.394 1.572 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC001168736606 748466418 /nfs/dbraw/zinc/46/64/18/748466418.db2.gz JGQURGRLNURZMX-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N)n2)CC[NH+](C)CC1 ZINC001156184813 862785840 /nfs/dbraw/zinc/78/58/40/862785840.db2.gz DKZGNRYAKMJHNM-UHFFFAOYSA-N 2 2 308.386 1.010 20 5 DDBDLP COc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258619 864520964 /nfs/dbraw/zinc/52/09/64/864520964.db2.gz DVPRPZYPVGPOTG-LLVKDONJSA-N 2 2 321.381 1.000 20 5 DDBDLP COc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258619 864520967 /nfs/dbraw/zinc/52/09/67/864520967.db2.gz DVPRPZYPVGPOTG-LLVKDONJSA-N 2 2 321.381 1.000 20 5 DDBDLP Cc1cc(Cl)c([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867393 867047607 /nfs/dbraw/zinc/04/76/07/867047607.db2.gz GWNWZCXFJKQZNW-UHFFFAOYSA-N 2 2 313.789 1.787 20 5 DDBDLP Cc1[nH+]c2c(n1-c1ncc([N+](=O)[O-])c(C)c1C)CC[NH2+]CC2 ZINC001165353326 869541671 /nfs/dbraw/zinc/54/16/71/869541671.db2.gz OVRHJGHAQCLRJA-UHFFFAOYSA-N 2 2 301.350 1.789 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC001337823812 869644845 /nfs/dbraw/zinc/64/48/45/869644845.db2.gz FAXIKXRJJSBIHJ-HOTGVXAUSA-N 2 2 303.362 1.679 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC001337823812 869644853 /nfs/dbraw/zinc/64/48/53/869644853.db2.gz FAXIKXRJJSBIHJ-HOTGVXAUSA-N 2 2 303.362 1.679 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922199 892988879 /nfs/dbraw/zinc/98/88/79/892988879.db2.gz UTQRHQJNZPOJKC-WBMJQRKESA-N 2 2 302.378 1.467 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922199 892988883 /nfs/dbraw/zinc/98/88/83/892988883.db2.gz UTQRHQJNZPOJKC-WBMJQRKESA-N 2 2 302.378 1.467 20 5 DDBDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605202 355129254 /nfs/dbraw/zinc/12/92/54/355129254.db2.gz DKTFLEZOGMYOKZ-INIZCTEOSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605202 355129256 /nfs/dbraw/zinc/12/92/56/355129256.db2.gz DKTFLEZOGMYOKZ-INIZCTEOSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605202 355129258 /nfs/dbraw/zinc/12/92/58/355129258.db2.gz DKTFLEZOGMYOKZ-INIZCTEOSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605202 355129261 /nfs/dbraw/zinc/12/92/61/355129261.db2.gz DKTFLEZOGMYOKZ-INIZCTEOSA-N 2 2 307.394 1.872 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)C[NH3+] ZINC000591282579 355277503 /nfs/dbraw/zinc/27/75/03/355277503.db2.gz OVJGLOWHVCOKCE-BDJLRTHQSA-N 2 2 321.377 1.783 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)C[NH3+] ZINC000591282579 355277504 /nfs/dbraw/zinc/27/75/04/355277504.db2.gz OVJGLOWHVCOKCE-BDJLRTHQSA-N 2 2 321.377 1.783 20 5 DDBDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734050 355374038 /nfs/dbraw/zinc/37/40/38/355374038.db2.gz YOUWVZCMHGXUGN-TZMCWYRMSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734050 355374042 /nfs/dbraw/zinc/37/40/42/355374042.db2.gz YOUWVZCMHGXUGN-TZMCWYRMSA-N 2 2 309.366 1.018 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600717850 358293227 /nfs/dbraw/zinc/29/32/27/358293227.db2.gz CQWDLKWJOGUXDP-AWEZNQCLSA-N 2 2 309.366 1.150 20 5 DDBDLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963068 359326680 /nfs/dbraw/zinc/32/66/80/359326680.db2.gz SUXQZCXHFSPJPB-GOEBONIOSA-N 2 2 307.394 1.876 20 5 DDBDLP C[N@H+]1CCC[C@H]1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963068 359326682 /nfs/dbraw/zinc/32/66/82/359326682.db2.gz SUXQZCXHFSPJPB-GOEBONIOSA-N 2 2 307.394 1.876 20 5 DDBDLP Cn1cc(C[NH2+][C@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414879677 224411991 /nfs/dbraw/zinc/41/19/91/224411991.db2.gz IWMGVLMEMMOZJQ-ZDUSSCGKSA-N 2 2 301.350 1.447 20 5 DDBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000114199822 407550377 /nfs/dbraw/zinc/55/03/77/407550377.db2.gz RRUYMUSIOYQRSL-LLVKDONJSA-N 2 2 306.366 1.077 20 5 DDBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000114199822 407550382 /nfs/dbraw/zinc/55/03/82/407550382.db2.gz RRUYMUSIOYQRSL-LLVKDONJSA-N 2 2 306.366 1.077 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000262532263 407858526 /nfs/dbraw/zinc/85/85/26/407858526.db2.gz PTVRZKOMQPPTIN-CQSZACIVSA-N 2 2 308.357 1.213 20 5 DDBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966067 408221998 /nfs/dbraw/zinc/22/19/98/408221998.db2.gz YMDCZEFZDXGTBS-SWLSCSKDSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966067 408222002 /nfs/dbraw/zinc/22/20/02/408222002.db2.gz YMDCZEFZDXGTBS-SWLSCSKDSA-N 2 2 320.393 1.585 20 5 DDBDLP COCC[N@@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264551461 408532807 /nfs/dbraw/zinc/53/28/07/408532807.db2.gz CUIMAOXLHDTCTD-CSPWOOARSA-N 2 2 305.378 1.918 20 5 DDBDLP COCC[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264551461 408532811 /nfs/dbraw/zinc/53/28/11/408532811.db2.gz CUIMAOXLHDTCTD-CSPWOOARSA-N 2 2 305.378 1.918 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000365614259 418882909 /nfs/dbraw/zinc/88/29/09/418882909.db2.gz SFDGPOYPMCZMPE-SNVBAGLBSA-N 2 2 317.305 1.873 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000365614259 418882912 /nfs/dbraw/zinc/88/29/12/418882912.db2.gz SFDGPOYPMCZMPE-SNVBAGLBSA-N 2 2 317.305 1.873 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414932425 419879368 /nfs/dbraw/zinc/87/93/68/419879368.db2.gz RBXQHEKUBICHDF-JMSVASOKSA-N 2 2 320.393 1.900 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420293663 420187512 /nfs/dbraw/zinc/18/75/12/420187512.db2.gz ROGZOCVIYXAGRO-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000420293663 420187516 /nfs/dbraw/zinc/18/75/16/420187516.db2.gz ROGZOCVIYXAGRO-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C[NH3+] ZINC000430929559 420211332 /nfs/dbraw/zinc/21/13/32/420211332.db2.gz PEHPXTFTACBPTN-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] ZINC000430929559 420211333 /nfs/dbraw/zinc/21/13/33/420211333.db2.gz PEHPXTFTACBPTN-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000574917396 422214526 /nfs/dbraw/zinc/21/45/26/422214526.db2.gz XCNLQXGXRQIFTQ-LBPRGKRZSA-N 2 2 306.366 1.512 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000574917396 422214531 /nfs/dbraw/zinc/21/45/31/422214531.db2.gz XCNLQXGXRQIFTQ-LBPRGKRZSA-N 2 2 306.366 1.512 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571937 706722120 /nfs/dbraw/zinc/72/21/20/706722120.db2.gz USADZQFHIBHPLU-CJNGLKHVSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571937 706722121 /nfs/dbraw/zinc/72/21/21/706722121.db2.gz USADZQFHIBHPLU-CJNGLKHVSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571937 706722122 /nfs/dbraw/zinc/72/21/22/706722122.db2.gz USADZQFHIBHPLU-CJNGLKHVSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571937 706722124 /nfs/dbraw/zinc/72/21/24/706722124.db2.gz USADZQFHIBHPLU-CJNGLKHVSA-N 2 2 305.378 2.000 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000819244902 704094162 /nfs/dbraw/zinc/09/41/62/704094162.db2.gz PNMPPRZEINLNDW-GXTWGEPZSA-N 2 2 302.334 1.429 20 5 DDBDLP CCOc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001168740010 748699045 /nfs/dbraw/zinc/69/90/45/748699045.db2.gz AIYKJZJNMRRKJD-UHFFFAOYSA-N 2 2 307.354 1.588 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172897659 776913687 /nfs/dbraw/zinc/91/36/87/776913687.db2.gz CBCKYDDUNANFFP-HOCLYGCPSA-N 2 2 305.378 1.502 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172897659 776913693 /nfs/dbraw/zinc/91/36/93/776913693.db2.gz CBCKYDDUNANFFP-HOCLYGCPSA-N 2 2 305.378 1.502 20 5 DDBDLP COc1ccc([N+](=O)[O-])nc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164212003 869017966 /nfs/dbraw/zinc/01/79/66/869017966.db2.gz VDKNDEFCWPNRJW-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379233 233147275 /nfs/dbraw/zinc/14/72/75/233147275.db2.gz PDLGEGNAELSWTK-GFCCVEGCSA-N 2 2 316.365 1.452 20 5 DDBDLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379233 233147278 /nfs/dbraw/zinc/14/72/78/233147278.db2.gz PDLGEGNAELSWTK-GFCCVEGCSA-N 2 2 316.365 1.452 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281843 355277491 /nfs/dbraw/zinc/27/74/91/355277491.db2.gz OOSVPOFGYQWBHW-GVXVVHGQSA-N 2 2 324.356 1.602 20 5 DDBDLP C[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591733951 355374071 /nfs/dbraw/zinc/37/40/71/355374071.db2.gz QGBIGTMTRCBOTH-GFCCVEGCSA-N 2 2 306.366 1.607 20 5 DDBDLP C[N@H+]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591733951 355374075 /nfs/dbraw/zinc/37/40/75/355374075.db2.gz QGBIGTMTRCBOTH-GFCCVEGCSA-N 2 2 306.366 1.607 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427678 355580127 /nfs/dbraw/zinc/58/01/27/355580127.db2.gz PPRAOPDABQAEGX-PWSUYJOCSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427678 355580130 /nfs/dbraw/zinc/58/01/30/355580130.db2.gz PPRAOPDABQAEGX-PWSUYJOCSA-N 2 2 307.350 1.535 20 5 DDBDLP [NH3+]C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000594738025 356302428 /nfs/dbraw/zinc/30/24/28/356302428.db2.gz AFTVCXRCYNHIKI-UHFFFAOYSA-N 2 2 307.350 1.727 20 5 DDBDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067268 356760310 /nfs/dbraw/zinc/76/03/10/356760310.db2.gz YGPNBXUNMFOTCT-KBPBESRZSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067268 356760315 /nfs/dbraw/zinc/76/03/15/356760315.db2.gz YGPNBXUNMFOTCT-KBPBESRZSA-N 2 2 323.393 1.408 20 5 DDBDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000596652052 356942501 /nfs/dbraw/zinc/94/25/01/356942501.db2.gz FQBNJEKXMZKEQX-SECBINFHSA-N 2 2 303.322 1.400 20 5 DDBDLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597989324 357407298 /nfs/dbraw/zinc/40/72/98/357407298.db2.gz CXYWNOKQZPWEDU-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597989324 357407300 /nfs/dbraw/zinc/40/73/00/357407300.db2.gz CXYWNOKQZPWEDU-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP C[C@](CO)([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601148429 358422674 /nfs/dbraw/zinc/42/26/74/358422674.db2.gz BOUVTFJBKLWGFB-MRXNPFEDSA-N 2 2 316.361 1.735 20 5 DDBDLP C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000602482361 359008773 /nfs/dbraw/zinc/00/87/73/359008773.db2.gz FNZOCNGWIYKYMU-YPMHNXCESA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000602482361 359008775 /nfs/dbraw/zinc/00/87/75/359008775.db2.gz FNZOCNGWIYKYMU-YPMHNXCESA-N 2 2 304.354 1.608 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000602733360 359155249 /nfs/dbraw/zinc/15/52/49/359155249.db2.gz BGKQDYINYQPCSE-ZACQAIPSSA-N 2 2 319.405 1.981 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000602733360 359155253 /nfs/dbraw/zinc/15/52/53/359155253.db2.gz BGKQDYINYQPCSE-ZACQAIPSSA-N 2 2 319.405 1.981 20 5 DDBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000610271196 360404870 /nfs/dbraw/zinc/40/48/70/360404870.db2.gz JWMXABVBMAZRSW-DGCLKSJQSA-N 2 2 321.377 1.938 20 5 DDBDLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000610271196 360404876 /nfs/dbraw/zinc/40/48/76/360404876.db2.gz JWMXABVBMAZRSW-DGCLKSJQSA-N 2 2 321.377 1.938 20 5 DDBDLP COC[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414945945 224424555 /nfs/dbraw/zinc/42/45/55/224424555.db2.gz RORGJJMGLKWGMW-RRGWEWPQSA-N 2 2 305.378 1.966 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737538 407594943 /nfs/dbraw/zinc/59/49/43/407594943.db2.gz OWNJBAIEDSUWDC-LRDDRELGSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737538 407594949 /nfs/dbraw/zinc/59/49/49/407594949.db2.gz OWNJBAIEDSUWDC-LRDDRELGSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cnc(NCC[NH+]2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000267208377 407789275 /nfs/dbraw/zinc/78/92/75/407789275.db2.gz QAMHIMUGXQEUMO-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP C[NH+](C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000277303313 408916119 /nfs/dbraw/zinc/91/61/19/408916119.db2.gz UHOVVTSSGYBWLX-ZDUSSCGKSA-N 2 2 308.382 1.173 20 5 DDBDLP C[NH+](C)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000277303313 408916121 /nfs/dbraw/zinc/91/61/21/408916121.db2.gz UHOVVTSSGYBWLX-ZDUSSCGKSA-N 2 2 308.382 1.173 20 5 DDBDLP C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000293632754 409150860 /nfs/dbraw/zinc/15/08/60/409150860.db2.gz HPTKDHJTWIFOBU-OLZOCXBDSA-N 2 2 322.409 1.796 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346068461 409753348 /nfs/dbraw/zinc/75/33/48/409753348.db2.gz MCHUNNRLQBVXPI-LBPRGKRZSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346068461 409753353 /nfs/dbraw/zinc/75/33/53/409753353.db2.gz MCHUNNRLQBVXPI-LBPRGKRZSA-N 2 2 306.366 1.655 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863124 410301166 /nfs/dbraw/zinc/30/11/66/410301166.db2.gz RVYTWQJRFSMWHJ-WCQYABFASA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863124 410301170 /nfs/dbraw/zinc/30/11/70/410301170.db2.gz RVYTWQJRFSMWHJ-WCQYABFASA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C[NH+](C)C ZINC000348295602 410902670 /nfs/dbraw/zinc/90/26/70/410902670.db2.gz UGCNDWKHXOXEBM-VXGBXAGGSA-N 2 2 308.382 1.852 20 5 DDBDLP Cn1cc(C[NH2+]C[C@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414845725 419836185 /nfs/dbraw/zinc/83/61/85/419836185.db2.gz MLFVGDCZMDYXKV-CQSZACIVSA-N 2 2 315.377 1.837 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925093 420208930 /nfs/dbraw/zinc/20/89/30/420208930.db2.gz KDQRVQKSYATVKZ-SWLSCSKDSA-N 2 2 318.377 1.241 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925093 420208934 /nfs/dbraw/zinc/20/89/34/420208934.db2.gz KDQRVQKSYATVKZ-SWLSCSKDSA-N 2 2 318.377 1.241 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000430587993 420148793 /nfs/dbraw/zinc/14/87/93/420148793.db2.gz YCONSFHDGJALJD-OLZOCXBDSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000430587993 420148798 /nfs/dbraw/zinc/14/87/98/420148798.db2.gz YCONSFHDGJALJD-OLZOCXBDSA-N 2 2 318.377 1.750 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420382010 420249998 /nfs/dbraw/zinc/24/99/98/420249998.db2.gz PKOALTIUWNKQKX-AGIUHOORSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420382010 420250003 /nfs/dbraw/zinc/25/00/03/420250003.db2.gz PKOALTIUWNKQKX-AGIUHOORSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767205 420712346 /nfs/dbraw/zinc/71/23/46/420712346.db2.gz QFOQTKFETMIELU-NWDGAFQWSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767205 420712350 /nfs/dbraw/zinc/71/23/50/420712350.db2.gz QFOQTKFETMIELU-NWDGAFQWSA-N 2 2 318.377 1.153 20 5 DDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[NH+]2CCCC2)n1 ZINC000447522444 420778821 /nfs/dbraw/zinc/77/88/21/420778821.db2.gz YRSXBJKYRKTBIX-ZIAGYGMSSA-N 2 2 307.398 1.960 20 5 DDBDLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000310833649 698671785 /nfs/dbraw/zinc/67/17/85/698671785.db2.gz MFJYVAHSTPSEBR-SECBINFHSA-N 2 2 318.171 1.109 20 5 DDBDLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000310833649 698671786 /nfs/dbraw/zinc/67/17/86/698671786.db2.gz MFJYVAHSTPSEBR-SECBINFHSA-N 2 2 318.171 1.109 20 5 DDBDLP C[NH2+]CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000903572381 711202679 /nfs/dbraw/zinc/20/26/79/711202679.db2.gz MWSDWRKOHKKLAE-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP C[NH2+]CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000903572381 711202681 /nfs/dbraw/zinc/20/26/81/711202681.db2.gz MWSDWRKOHKKLAE-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP C[N@@H+](CC[N+](=O)[O-])CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000930451885 713837981 /nfs/dbraw/zinc/83/79/81/713837981.db2.gz WKXSRTGFLITYBP-UHFFFAOYSA-N 2 2 306.410 1.013 20 5 DDBDLP C[N@H+](CC[N+](=O)[O-])CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000930451885 713837983 /nfs/dbraw/zinc/83/79/83/713837983.db2.gz WKXSRTGFLITYBP-UHFFFAOYSA-N 2 2 306.410 1.013 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000923428766 714353282 /nfs/dbraw/zinc/35/32/82/714353282.db2.gz QYNFWHRMOKHZJD-GJZGRUSLSA-N 2 2 305.378 1.893 20 5 DDBDLP COC(=O)Cc1ccc(NC(=[NH2+])SCC[NH3+])cc1[N+](=O)[O-] ZINC001167911646 739307252 /nfs/dbraw/zinc/30/72/52/739307252.db2.gz BYMUUSKUIGZZCO-UHFFFAOYSA-N 2 2 312.351 1.349 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC001333372352 866680685 /nfs/dbraw/zinc/68/06/85/866680685.db2.gz VMXFUSOOOGKYGA-VOMCLLRMSA-N 2 2 302.338 1.296 20 5 DDBDLP Cc1[nH+]c2c(n1-c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC[NH2+]CC2 ZINC001165354515 869542147 /nfs/dbraw/zinc/54/21/47/869542147.db2.gz CDYOJKYFACNPIM-UHFFFAOYSA-N 2 2 312.333 1.653 20 5 DDBDLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404307955 354676013 /nfs/dbraw/zinc/67/60/13/354676013.db2.gz IYDBJMZNRLOARJ-TZMCWYRMSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404307955 354676016 /nfs/dbraw/zinc/67/60/16/354676016.db2.gz IYDBJMZNRLOARJ-TZMCWYRMSA-N 2 2 320.393 1.983 20 5 DDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC000591579926 355330124 /nfs/dbraw/zinc/33/01/24/355330124.db2.gz ABDSFLNUEPOZJV-CYDGBPFRSA-N 2 2 311.361 1.565 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428829 355580203 /nfs/dbraw/zinc/58/02/03/355580203.db2.gz ZJFIWVQHBZUGDD-GHMZBOCLSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428829 355580205 /nfs/dbraw/zinc/58/02/05/355580205.db2.gz ZJFIWVQHBZUGDD-GHMZBOCLSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599092468 357813714 /nfs/dbraw/zinc/81/37/14/357813714.db2.gz IGQCPERNWSMCSN-HIFRSBDPSA-N 2 2 307.394 1.572 20 5 DDBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599092468 357813718 /nfs/dbraw/zinc/81/37/18/357813718.db2.gz IGQCPERNWSMCSN-HIFRSBDPSA-N 2 2 307.394 1.572 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600713706 358291710 /nfs/dbraw/zinc/29/17/10/358291710.db2.gz KYPBVWDIZDZRCC-OCCSQVGLSA-N 2 2 301.350 1.369 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000600724830 358297249 /nfs/dbraw/zinc/29/72/49/358297249.db2.gz IITNUTNBIJGGJC-KOLCDFICSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000600724830 358297252 /nfs/dbraw/zinc/29/72/52/358297252.db2.gz IITNUTNBIJGGJC-KOLCDFICSA-N 2 2 321.303 1.250 20 5 DDBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370930 407374508 /nfs/dbraw/zinc/37/45/08/407374508.db2.gz MKRRVXYLENUTDP-QGZVFWFLSA-N 2 2 318.421 1.807 20 5 DDBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107370930 407374509 /nfs/dbraw/zinc/37/45/09/407374509.db2.gz MKRRVXYLENUTDP-QGZVFWFLSA-N 2 2 318.421 1.807 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[NH2+]CC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000342094222 409561942 /nfs/dbraw/zinc/56/19/42/409561942.db2.gz FBAONUNGAWUJCY-LLVKDONJSA-N 2 2 306.366 1.701 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858435 410298593 /nfs/dbraw/zinc/29/85/93/410298593.db2.gz DCEQAXYPQPQYLO-RWMBFGLXSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858435 410298599 /nfs/dbraw/zinc/29/85/99/410298599.db2.gz DCEQAXYPQPQYLO-RWMBFGLXSA-N 2 2 320.393 1.899 20 5 DDBDLP C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1n1cc[nH+]c1 ZINC000371324960 418779978 /nfs/dbraw/zinc/77/99/78/418779978.db2.gz BLOWXHVWFZAVOA-NEPJUHHUSA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1n1cc[nH+]c1 ZINC000371324960 418779979 /nfs/dbraw/zinc/77/99/79/418779979.db2.gz BLOWXHVWFZAVOA-NEPJUHHUSA-N 2 2 304.354 1.608 20 5 DDBDLP CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372604712 418886619 /nfs/dbraw/zinc/88/66/19/418886619.db2.gz CLCJHQLCKBNRMP-OAHLLOKOSA-N 2 2 319.409 1.595 20 5 DDBDLP CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372604712 418886621 /nfs/dbraw/zinc/88/66/21/418886621.db2.gz CLCJHQLCKBNRMP-OAHLLOKOSA-N 2 2 319.409 1.595 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420298205 420190256 /nfs/dbraw/zinc/19/02/56/420190256.db2.gz RVYZLHUKONSBFL-ZDUSSCGKSA-N 2 2 320.393 1.328 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420298205 420190258 /nfs/dbraw/zinc/19/02/58/420190258.db2.gz RVYZLHUKONSBFL-ZDUSSCGKSA-N 2 2 320.393 1.328 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430605983 420155012 /nfs/dbraw/zinc/15/50/12/420155012.db2.gz UCUVPKWSSUWJQE-NEPJUHHUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430605983 420155018 /nfs/dbraw/zinc/15/50/18/420155018.db2.gz UCUVPKWSSUWJQE-NEPJUHHUSA-N 2 2 306.366 1.593 20 5 DDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965441 420227161 /nfs/dbraw/zinc/22/71/61/420227161.db2.gz JKWVNHPMLGVLRU-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965441 420227164 /nfs/dbraw/zinc/22/71/64/420227164.db2.gz JKWVNHPMLGVLRU-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356378 420234151 /nfs/dbraw/zinc/23/41/51/420234151.db2.gz GIHVBPLRWJTJNT-ZDUSSCGKSA-N 2 2 324.381 1.505 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420362435 420236461 /nfs/dbraw/zinc/23/64/61/420236461.db2.gz YZHHLQIOHZFYNJ-AAEUAGOBSA-N 2 2 306.366 1.653 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420362435 420236463 /nfs/dbraw/zinc/23/64/63/420236463.db2.gz YZHHLQIOHZFYNJ-AAEUAGOBSA-N 2 2 306.366 1.653 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420376260 420245482 /nfs/dbraw/zinc/24/54/82/420245482.db2.gz UXDCQVJMDJIPIQ-AWEZNQCLSA-N 2 2 320.393 1.819 20 5 DDBDLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926964187 712923267 /nfs/dbraw/zinc/92/32/67/712923267.db2.gz WKIYALGJDGAGJN-YPMHNXCESA-N 2 2 310.398 1.794 20 5 DDBDLP CCO[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000905581903 712085606 /nfs/dbraw/zinc/08/56/06/712085606.db2.gz ZPCMKYYWNGWQMR-LSDHHAIUSA-N 2 2 311.382 1.185 20 5 DDBDLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169053540 762207805 /nfs/dbraw/zinc/20/78/05/762207805.db2.gz IKMCHHXCOISOHQ-ZIAGYGMSSA-N 2 2 320.393 1.658 20 5 DDBDLP COc1cc(C)nc(NCC[NH+]2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001161867529 867045705 /nfs/dbraw/zinc/04/57/05/867045705.db2.gz IQVUWENHAFUOAU-UHFFFAOYSA-N 2 2 309.370 1.142 20 5 DDBDLP Cc1[nH+]c2c(n1-c1ncnc3cccc([N+](=O)[O-])c31)CC[NH2+]CC2 ZINC001165356307 869543522 /nfs/dbraw/zinc/54/35/22/869543522.db2.gz MVEVZAAEGKSLKS-UHFFFAOYSA-N 2 2 324.344 1.720 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592488719 355597538 /nfs/dbraw/zinc/59/75/38/355597538.db2.gz MIUAYSLRHHNYAV-ZOWXZIJZSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592488719 355597540 /nfs/dbraw/zinc/59/75/40/355597540.db2.gz MIUAYSLRHHNYAV-ZOWXZIJZSA-N 2 2 320.393 1.981 20 5 DDBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000593910345 356054828 /nfs/dbraw/zinc/05/48/28/356054828.db2.gz UGBTZZNMRQBQKR-ZDUSSCGKSA-N 2 2 308.382 1.225 20 5 DDBDLP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347114518 283183300 /nfs/dbraw/zinc/18/33/00/283183300.db2.gz TYLVPUKESLJKPL-LLVKDONJSA-N 2 2 309.366 1.783 20 5 DDBDLP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347114518 283183304 /nfs/dbraw/zinc/18/33/04/283183304.db2.gz TYLVPUKESLJKPL-LLVKDONJSA-N 2 2 309.366 1.783 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000600745850 358306031 /nfs/dbraw/zinc/30/60/31/358306031.db2.gz HVIQRMNJERAICK-IYBDPMFKSA-N 2 2 305.378 1.905 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000600745850 358306032 /nfs/dbraw/zinc/30/60/32/358306032.db2.gz HVIQRMNJERAICK-IYBDPMFKSA-N 2 2 305.378 1.905 20 5 DDBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602661863 359108147 /nfs/dbraw/zinc/10/81/47/359108147.db2.gz HHVJIYNZHVDLKE-UHFFFAOYSA-N 2 2 320.397 1.999 20 5 DDBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602661863 359108151 /nfs/dbraw/zinc/10/81/51/359108151.db2.gz HHVJIYNZHVDLKE-UHFFFAOYSA-N 2 2 320.397 1.999 20 5 DDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)n1 ZINC000351491442 284340870 /nfs/dbraw/zinc/34/08/70/284340870.db2.gz GXAHMTHUUKQDLM-OLZOCXBDSA-N 2 2 304.354 1.761 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647665 410056713 /nfs/dbraw/zinc/05/67/13/410056713.db2.gz BAFCOBNHKBBAFT-WDEREUQCSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647665 410056718 /nfs/dbraw/zinc/05/67/18/410056718.db2.gz BAFCOBNHKBBAFT-WDEREUQCSA-N 2 2 309.366 1.781 20 5 DDBDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414966318 419897094 /nfs/dbraw/zinc/89/70/94/419897094.db2.gz WGYPETRXPBCSCA-VXGBXAGGSA-N 2 2 308.382 1.900 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953790 420221100 /nfs/dbraw/zinc/22/11/00/420221100.db2.gz ICXLOIUGAONZAX-WXHSDQCUSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953790 420221106 /nfs/dbraw/zinc/22/11/06/420221106.db2.gz ICXLOIUGAONZAX-WXHSDQCUSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346610 420225669 /nfs/dbraw/zinc/22/56/69/420225669.db2.gz YXMPMSQRLRPVCN-DOMZBBRYSA-N 2 2 318.377 1.526 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346610 420225671 /nfs/dbraw/zinc/22/56/71/420225671.db2.gz YXMPMSQRLRPVCN-DOMZBBRYSA-N 2 2 318.377 1.526 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420377082 420249496 /nfs/dbraw/zinc/24/94/96/420249496.db2.gz KPRMGLODOSQQII-WCQYABFASA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420377082 420249500 /nfs/dbraw/zinc/24/95/00/420249500.db2.gz KPRMGLODOSQQII-WCQYABFASA-N 2 2 320.393 1.758 20 5 DDBDLP C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420397030 420261020 /nfs/dbraw/zinc/26/10/20/420261020.db2.gz FXASONVOJHFQDO-CHWSQXEVSA-N 2 2 320.393 1.474 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420397030 420261024 /nfs/dbraw/zinc/26/10/24/420261024.db2.gz FXASONVOJHFQDO-CHWSQXEVSA-N 2 2 320.393 1.474 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442794720 420716662 /nfs/dbraw/zinc/71/66/62/420716662.db2.gz UDNVQEPUVTXOJG-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442794720 420716665 /nfs/dbraw/zinc/71/66/65/420716665.db2.gz UDNVQEPUVTXOJG-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359358 301171392 /nfs/dbraw/zinc/17/13/92/301171392.db2.gz QQASQGKDBBISRB-MRXNPFEDSA-N 2 2 318.421 1.807 20 5 DDBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359358 301171394 /nfs/dbraw/zinc/17/13/94/301171394.db2.gz QQASQGKDBBISRB-MRXNPFEDSA-N 2 2 318.421 1.807 20 5 DDBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261927495 303389425 /nfs/dbraw/zinc/38/94/25/303389425.db2.gz JAFDPGXLFRBUDE-GFCCVEGCSA-N 2 2 306.366 1.737 20 5 DDBDLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261927495 303389426 /nfs/dbraw/zinc/38/94/26/303389426.db2.gz JAFDPGXLFRBUDE-GFCCVEGCSA-N 2 2 306.366 1.737 20 5 DDBDLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000310833651 698671718 /nfs/dbraw/zinc/67/17/18/698671718.db2.gz MFJYVAHSTPSEBR-VIFPVBQESA-N 2 2 318.171 1.109 20 5 DDBDLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000310833651 698671720 /nfs/dbraw/zinc/67/17/20/698671720.db2.gz MFJYVAHSTPSEBR-VIFPVBQESA-N 2 2 318.171 1.109 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]CC[NH+]3CCCCCC3)C2)c1 ZINC000876914679 705921089 /nfs/dbraw/zinc/92/10/89/705921089.db2.gz VIETVLIPQZIMTM-UHFFFAOYSA-N 2 2 307.398 1.960 20 5 DDBDLP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000903076272 711025516 /nfs/dbraw/zinc/02/55/16/711025516.db2.gz MJOGSNOXBMWZDP-IUODEOHRSA-N 2 2 323.393 1.711 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001168736903 748480996 /nfs/dbraw/zinc/48/09/96/748480996.db2.gz ROJPABUNKZRZAZ-UHFFFAOYSA-N 2 2 315.337 1.132 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001157915431 864257613 /nfs/dbraw/zinc/25/76/13/864257613.db2.gz WPYBLYPAINSPFJ-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001342898352 872427695 /nfs/dbraw/zinc/42/76/95/872427695.db2.gz QVUUNJXGKDNGHX-LLVKDONJSA-N 2 2 321.377 1.883 20 5 DDBDLP COc1c(O)ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001342898352 872427710 /nfs/dbraw/zinc/42/77/10/872427710.db2.gz QVUUNJXGKDNGHX-LLVKDONJSA-N 2 2 321.377 1.883 20 5 DDBDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265843 873676522 /nfs/dbraw/zinc/67/65/22/873676522.db2.gz XPHGRYSRTIXPAN-ZFWWWQNUSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265843 873676533 /nfs/dbraw/zinc/67/65/33/873676533.db2.gz XPHGRYSRTIXPAN-ZFWWWQNUSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485715 355596260 /nfs/dbraw/zinc/59/62/60/355596260.db2.gz VRVCRQZHHMCIGI-NSHDSACASA-N 2 2 306.366 1.735 20 5 DDBDLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347114519 283183351 /nfs/dbraw/zinc/18/33/51/283183351.db2.gz TYLVPUKESLJKPL-NSHDSACASA-N 2 2 309.366 1.783 20 5 DDBDLP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000347114519 283183355 /nfs/dbraw/zinc/18/33/55/283183355.db2.gz TYLVPUKESLJKPL-NSHDSACASA-N 2 2 309.366 1.783 20 5 DDBDLP Cc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000596651202 356942632 /nfs/dbraw/zinc/94/26/32/356942632.db2.gz BGIOSRCCYXVNSA-SNVBAGLBSA-N 2 2 317.349 1.708 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484131 359009952 /nfs/dbraw/zinc/00/99/52/359009952.db2.gz HPIFYHOSWNSOLR-SWLSCSKDSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484131 359009957 /nfs/dbraw/zinc/00/99/57/359009957.db2.gz HPIFYHOSWNSOLR-SWLSCSKDSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484131 359009962 /nfs/dbraw/zinc/00/99/62/359009962.db2.gz HPIFYHOSWNSOLR-SWLSCSKDSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484131 359009965 /nfs/dbraw/zinc/00/99/65/359009965.db2.gz HPIFYHOSWNSOLR-SWLSCSKDSA-N 2 2 319.409 1.777 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903269 363789788 /nfs/dbraw/zinc/78/97/88/363789788.db2.gz NKXYOEHZVXUTNH-UHFFFAOYSA-N 2 2 317.349 1.649 20 5 DDBDLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961866 207126676 /nfs/dbraw/zinc/12/66/76/207126676.db2.gz XKTLGIHFIJXNHL-JKSUJKDBSA-N 2 2 306.410 1.881 20 5 DDBDLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961866 207126680 /nfs/dbraw/zinc/12/66/80/207126680.db2.gz XKTLGIHFIJXNHL-JKSUJKDBSA-N 2 2 306.410 1.881 20 5 DDBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000123722109 407336977 /nfs/dbraw/zinc/33/69/77/407336977.db2.gz GIWNPGBYNHRANB-CYBMUJFWSA-N 2 2 318.381 1.480 20 5 DDBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000123722109 407336978 /nfs/dbraw/zinc/33/69/78/407336978.db2.gz GIWNPGBYNHRANB-CYBMUJFWSA-N 2 2 318.381 1.480 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174876711 407999202 /nfs/dbraw/zinc/99/92/02/407999202.db2.gz OXGWNLUMFIWJFR-CQSZACIVSA-N 2 2 307.398 1.599 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174876711 407999206 /nfs/dbraw/zinc/99/92/06/407999206.db2.gz OXGWNLUMFIWJFR-CQSZACIVSA-N 2 2 307.398 1.599 20 5 DDBDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000290010991 409292097 /nfs/dbraw/zinc/29/20/97/409292097.db2.gz LWNDOYJSTNZYML-UHFFFAOYSA-N 2 2 315.377 1.693 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000348295601 410904601 /nfs/dbraw/zinc/90/46/01/410904601.db2.gz UGCNDWKHXOXEBM-RYUDHWBXSA-N 2 2 308.382 1.852 20 5 DDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129299805 196037716 /nfs/dbraw/zinc/03/77/16/196037716.db2.gz RCDQJVGLZQWCKR-OAHLLOKOSA-N 2 2 305.378 1.749 20 5 DDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129299805 196037717 /nfs/dbraw/zinc/03/77/17/196037717.db2.gz RCDQJVGLZQWCKR-OAHLLOKOSA-N 2 2 305.378 1.749 20 5 DDBDLP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317128 225292700 /nfs/dbraw/zinc/29/27/00/225292700.db2.gz VRMGPQYHQCLVCJ-HOCLYGCPSA-N 2 2 307.394 1.874 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430582495 420146345 /nfs/dbraw/zinc/14/63/45/420146345.db2.gz KTAIGPYPQCEQKF-LLVKDONJSA-N 2 2 308.382 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430582495 420146348 /nfs/dbraw/zinc/14/63/48/420146348.db2.gz KTAIGPYPQCEQKF-LLVKDONJSA-N 2 2 308.382 1.839 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000449138851 420958677 /nfs/dbraw/zinc/95/86/77/420958677.db2.gz JEMXUEFKZVUKRL-UKRRQHHQSA-N 2 2 306.410 1.361 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000449138851 420958679 /nfs/dbraw/zinc/95/86/79/420958679.db2.gz JEMXUEFKZVUKRL-UKRRQHHQSA-N 2 2 306.410 1.361 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946621 698446739 /nfs/dbraw/zinc/44/67/39/698446739.db2.gz MJVFCLJORCZAHF-ZYHUDNBSSA-N 2 2 306.366 1.253 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946621 698446741 /nfs/dbraw/zinc/44/67/41/698446741.db2.gz MJVFCLJORCZAHF-ZYHUDNBSSA-N 2 2 306.366 1.253 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001168735718 748430310 /nfs/dbraw/zinc/43/03/10/748430310.db2.gz FHNSDTSGRXVIDV-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001169074252 762221373 /nfs/dbraw/zinc/22/13/73/762221373.db2.gz HRIIAPAFLFDRCX-AAOUONPWSA-N 2 2 322.752 1.635 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172897657 776914353 /nfs/dbraw/zinc/91/43/53/776914353.db2.gz CBCKYDDUNANFFP-GDBMZVCRSA-N 2 2 305.378 1.502 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172897657 776914357 /nfs/dbraw/zinc/91/43/57/776914357.db2.gz CBCKYDDUNANFFP-GDBMZVCRSA-N 2 2 305.378 1.502 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262852 864526240 /nfs/dbraw/zinc/52/62/40/864526240.db2.gz WOZGIVDEMVHCJC-ZDUSSCGKSA-N 2 2 319.409 1.608 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262852 864526243 /nfs/dbraw/zinc/52/62/43/864526243.db2.gz WOZGIVDEMVHCJC-ZDUSSCGKSA-N 2 2 319.409 1.608 20 5 DDBDLP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336744332 869120610 /nfs/dbraw/zinc/12/06/10/869120610.db2.gz KFLSVZBFROZMPV-CYBMUJFWSA-N 2 2 320.393 1.997 20 5 DDBDLP C[N@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336744332 869120617 /nfs/dbraw/zinc/12/06/17/869120617.db2.gz KFLSVZBFROZMPV-CYBMUJFWSA-N 2 2 320.393 1.997 20 5 DDBDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596653920 356943004 /nfs/dbraw/zinc/94/30/04/356943004.db2.gz MIRMZTGNCPDWAN-VIFPVBQESA-N 2 2 303.322 1.400 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)OCCO2 ZINC000611287845 360690338 /nfs/dbraw/zinc/69/03/38/360690338.db2.gz WRCRAOICROCEIV-RYUDHWBXSA-N 2 2 305.334 1.017 20 5 DDBDLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961864 207127355 /nfs/dbraw/zinc/12/73/55/207127355.db2.gz XKTLGIHFIJXNHL-HZPDHXFCSA-N 2 2 306.410 1.881 20 5 DDBDLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961864 207127357 /nfs/dbraw/zinc/12/73/57/207127357.db2.gz XKTLGIHFIJXNHL-HZPDHXFCSA-N 2 2 306.410 1.881 20 5 DDBDLP CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192649121 163230774 /nfs/dbraw/zinc/23/07/74/163230774.db2.gz FDYUHJJNQFDNSG-UHFFFAOYSA-N 2 2 324.429 1.558 20 5 DDBDLP C[C@@H](N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000423472828 287065306 /nfs/dbraw/zinc/06/53/06/287065306.db2.gz QJMVVZYNQQDIGL-WDMOLILDSA-N 2 2 303.366 1.743 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357069006 409835800 /nfs/dbraw/zinc/83/58/00/409835800.db2.gz FASJPSDLOUNNQJ-UPJWGTAASA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357069006 409835807 /nfs/dbraw/zinc/83/58/07/409835807.db2.gz FASJPSDLOUNNQJ-UPJWGTAASA-N 2 2 318.377 1.463 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917289 228974931 /nfs/dbraw/zinc/97/49/31/228974931.db2.gz JMJZLGDZPVYVJC-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917289 228974935 /nfs/dbraw/zinc/97/49/35/228974935.db2.gz JMJZLGDZPVYVJC-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415044608 419923949 /nfs/dbraw/zinc/92/39/49/419923949.db2.gz SJESNSYMXJFEAW-CQSZACIVSA-N 2 2 309.366 1.462 20 5 DDBDLP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420290192 420184914 /nfs/dbraw/zinc/18/49/14/420184914.db2.gz LMSPBEDFMLCXRQ-DOMZBBRYSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420290192 420184918 /nfs/dbraw/zinc/18/49/18/420184918.db2.gz LMSPBEDFMLCXRQ-DOMZBBRYSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430929734 420210547 /nfs/dbraw/zinc/21/05/47/420210547.db2.gz QAGWQESPYJLSLP-SMDDNHRTSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430929734 420210552 /nfs/dbraw/zinc/21/05/52/420210552.db2.gz QAGWQESPYJLSLP-SMDDNHRTSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430582496 420145227 /nfs/dbraw/zinc/14/52/27/420145227.db2.gz KTAIGPYPQCEQKF-NSHDSACASA-N 2 2 308.382 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430582496 420145231 /nfs/dbraw/zinc/14/52/31/420145231.db2.gz KTAIGPYPQCEQKF-NSHDSACASA-N 2 2 308.382 1.839 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430596021 420150665 /nfs/dbraw/zinc/15/06/65/420150665.db2.gz WCZKSXVAOBLKEK-UHFFFAOYSA-N 2 2 324.381 1.459 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430596021 420150668 /nfs/dbraw/zinc/15/06/68/420150668.db2.gz WCZKSXVAOBLKEK-UHFFFAOYSA-N 2 2 324.381 1.459 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442765260 420712048 /nfs/dbraw/zinc/71/20/48/420712048.db2.gz IVBCOTSUQSJOCM-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442765260 420712050 /nfs/dbraw/zinc/71/20/50/420712050.db2.gz IVBCOTSUQSJOCM-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574176085 422070388 /nfs/dbraw/zinc/07/03/88/422070388.db2.gz OXCUFRSITIVMGZ-LBPRGKRZSA-N 2 2 321.381 1.318 20 5 DDBDLP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574176085 422070393 /nfs/dbraw/zinc/07/03/93/422070393.db2.gz OXCUFRSITIVMGZ-LBPRGKRZSA-N 2 2 321.381 1.318 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000761520541 700862373 /nfs/dbraw/zinc/86/23/73/700862373.db2.gz BDIYGFQIPFLFDO-GFCCVEGCSA-N 2 2 313.785 1.795 20 5 DDBDLP C[C@@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000766028173 701034772 /nfs/dbraw/zinc/03/47/72/701034772.db2.gz UXWOMRDUAOLYJZ-UIBBOPPKSA-N 2 2 323.393 1.061 20 5 DDBDLP C[C@@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000766028173 701034773 /nfs/dbraw/zinc/03/47/73/701034773.db2.gz UXWOMRDUAOLYJZ-UIBBOPPKSA-N 2 2 323.393 1.061 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258553 706922864 /nfs/dbraw/zinc/92/28/64/706922864.db2.gz IIOVYTPNEXHXTM-GFCCVEGCSA-N 2 2 316.365 1.434 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258553 706922865 /nfs/dbraw/zinc/92/28/65/706922865.db2.gz IIOVYTPNEXHXTM-GFCCVEGCSA-N 2 2 316.365 1.434 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467823 710763048 /nfs/dbraw/zinc/76/30/48/710763048.db2.gz QJEQEYMUXBEIBN-OBCWZRDOSA-N 2 2 318.377 1.794 20 5 DDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398768 714341964 /nfs/dbraw/zinc/34/19/64/714341964.db2.gz LVSYQTIXVZGIER-IUODEOHRSA-N 2 2 321.377 1.209 20 5 DDBDLP Cc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c([N+](=O)[O-])c1 ZINC001155362500 861994160 /nfs/dbraw/zinc/99/41/60/861994160.db2.gz FZISVCJAMJGSNF-CYBMUJFWSA-N 2 2 305.382 1.158 20 5 DDBDLP COc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001164211995 869019474 /nfs/dbraw/zinc/01/94/74/869019474.db2.gz YKJACHYGJIMKSE-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265842 873676186 /nfs/dbraw/zinc/67/61/86/873676186.db2.gz XPHGRYSRTIXPAN-UKRRQHHQSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346265842 873676193 /nfs/dbraw/zinc/67/61/93/873676193.db2.gz XPHGRYSRTIXPAN-UKRRQHHQSA-N 2 2 323.393 1.266 20 5 DDBDLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980476 877851052 /nfs/dbraw/zinc/85/10/52/877851052.db2.gz ZZAAEVFTXWBAOH-STQMWFEESA-N 2 2 307.357 1.268 20 5 DDBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599084993 357810527 /nfs/dbraw/zinc/81/05/27/357810527.db2.gz IGQCPERNWSMCSN-DZGCQCFKSA-N 2 2 307.394 1.572 20 5 DDBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599084993 357810528 /nfs/dbraw/zinc/81/05/28/357810528.db2.gz IGQCPERNWSMCSN-DZGCQCFKSA-N 2 2 307.394 1.572 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479860 359006360 /nfs/dbraw/zinc/00/63/60/359006360.db2.gz RGSZSPOIXZSPRB-CYBMUJFWSA-N 2 2 307.398 1.492 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479860 359006362 /nfs/dbraw/zinc/00/63/62/359006362.db2.gz RGSZSPOIXZSPRB-CYBMUJFWSA-N 2 2 307.398 1.492 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479860 359006365 /nfs/dbraw/zinc/00/63/65/359006365.db2.gz RGSZSPOIXZSPRB-CYBMUJFWSA-N 2 2 307.398 1.492 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479860 359006368 /nfs/dbraw/zinc/00/63/68/359006368.db2.gz RGSZSPOIXZSPRB-CYBMUJFWSA-N 2 2 307.398 1.492 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000610804185 360541566 /nfs/dbraw/zinc/54/15/66/360541566.db2.gz MTEFRYQVWIXQFV-TZMCWYRMSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000610804185 360541569 /nfs/dbraw/zinc/54/15/69/360541569.db2.gz MTEFRYQVWIXQFV-TZMCWYRMSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567648396 304232092 /nfs/dbraw/zinc/23/20/92/304232092.db2.gz LEOQPGVDCADQEK-STQMWFEESA-N 2 2 309.366 1.330 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000057871730 407218474 /nfs/dbraw/zinc/21/84/74/407218474.db2.gz CTLGMSYOSCDVDL-CYBMUJFWSA-N 2 2 305.382 1.111 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000262063151 407729544 /nfs/dbraw/zinc/72/95/44/407729544.db2.gz RIQCTNOLEXOGDG-IAQYHMDHSA-N 2 2 315.377 1.774 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000262063151 407729548 /nfs/dbraw/zinc/72/95/48/407729548.db2.gz RIQCTNOLEXOGDG-IAQYHMDHSA-N 2 2 315.377 1.774 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346087013 409770380 /nfs/dbraw/zinc/77/03/80/409770380.db2.gz VDWOOKUSHHUDAG-LLVKDONJSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346087013 409770385 /nfs/dbraw/zinc/77/03/85/409770385.db2.gz VDWOOKUSHHUDAG-LLVKDONJSA-N 2 2 322.365 1.355 20 5 DDBDLP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346847628 410192315 /nfs/dbraw/zinc/19/23/15/410192315.db2.gz DKWFSNKVBRAGBC-AWEZNQCLSA-N 2 2 304.394 1.716 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863125 410300074 /nfs/dbraw/zinc/30/00/74/410300074.db2.gz RVYTWQJRFSMWHJ-YPMHNXCESA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863125 410300080 /nfs/dbraw/zinc/30/00/80/410300080.db2.gz RVYTWQJRFSMWHJ-YPMHNXCESA-N 2 2 318.377 1.153 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353444062 410987788 /nfs/dbraw/zinc/98/77/88/410987788.db2.gz FSDMYZFLSSOTKC-HNNXBMFYSA-N 2 2 317.393 1.959 20 5 DDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129300079 196037762 /nfs/dbraw/zinc/03/77/62/196037762.db2.gz RCDQJVGLZQWCKR-HNNXBMFYSA-N 2 2 305.378 1.749 20 5 DDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129300079 196037763 /nfs/dbraw/zinc/03/77/63/196037763.db2.gz RCDQJVGLZQWCKR-HNNXBMFYSA-N 2 2 305.378 1.749 20 5 DDBDLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317129 225292368 /nfs/dbraw/zinc/29/23/68/225292368.db2.gz VRMGPQYHQCLVCJ-ZBFHGGJFSA-N 2 2 307.394 1.874 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369129 226476051 /nfs/dbraw/zinc/47/60/51/226476051.db2.gz BRCSRGHAOQTKER-UPJWGTAASA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369129 226476052 /nfs/dbraw/zinc/47/60/52/226476052.db2.gz BRCSRGHAOQTKER-UPJWGTAASA-N 2 2 320.393 1.839 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423326292 420013746 /nfs/dbraw/zinc/01/37/46/420013746.db2.gz QWQZFMQKXZWXGB-CABCVRRESA-N 2 2 315.377 1.745 20 5 DDBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580177 420087362 /nfs/dbraw/zinc/08/73/62/420087362.db2.gz XHTIRRHKOZJKPL-WFASDCNBSA-N 2 2 305.378 1.895 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000430194026 420088893 /nfs/dbraw/zinc/08/88/93/420088893.db2.gz HTKBTARJSCNWAN-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000430194026 420088898 /nfs/dbraw/zinc/08/88/98/420088898.db2.gz HTKBTARJSCNWAN-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430599675 420153186 /nfs/dbraw/zinc/15/31/86/420153186.db2.gz AWTPEKGGMMSYTH-UHFFFAOYSA-N 2 2 306.366 1.527 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430599675 420153190 /nfs/dbraw/zinc/15/31/90/420153190.db2.gz AWTPEKGGMMSYTH-UHFFFAOYSA-N 2 2 306.366 1.527 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430629769 420165494 /nfs/dbraw/zinc/16/54/94/420165494.db2.gz QWCZHFXIRSBFGD-UHFFFAOYSA-N 2 2 322.365 1.226 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430629769 420165497 /nfs/dbraw/zinc/16/54/97/420165497.db2.gz QWCZHFXIRSBFGD-UHFFFAOYSA-N 2 2 322.365 1.226 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000430639573 420168026 /nfs/dbraw/zinc/16/80/26/420168026.db2.gz PQQFUPUVVUKNIU-UHFFFAOYSA-N 2 2 322.365 1.227 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000430639573 420168031 /nfs/dbraw/zinc/16/80/31/420168031.db2.gz PQQFUPUVVUKNIU-UHFFFAOYSA-N 2 2 322.365 1.227 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000430641922 420170346 /nfs/dbraw/zinc/17/03/46/420170346.db2.gz NIWJDAVSVOLFFF-UHFFFAOYSA-N 2 2 306.366 1.527 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000430641922 420170347 /nfs/dbraw/zinc/17/03/47/420170347.db2.gz NIWJDAVSVOLFFF-UHFFFAOYSA-N 2 2 306.366 1.527 20 5 DDBDLP COc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422951211 533684445 /nfs/dbraw/zinc/68/44/45/533684445.db2.gz ZWAARSCEDWYBJX-WCQYABFASA-N 2 2 309.366 1.460 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000449138850 420957483 /nfs/dbraw/zinc/95/74/83/420957483.db2.gz JEMXUEFKZVUKRL-HIFRSBDPSA-N 2 2 306.410 1.361 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000449138850 420957486 /nfs/dbraw/zinc/95/74/86/420957486.db2.gz JEMXUEFKZVUKRL-HIFRSBDPSA-N 2 2 306.410 1.361 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000449138849 420957949 /nfs/dbraw/zinc/95/79/49/420957949.db2.gz JEMXUEFKZVUKRL-DZGCQCFKSA-N 2 2 306.410 1.361 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000449138849 420957954 /nfs/dbraw/zinc/95/79/54/420957954.db2.gz JEMXUEFKZVUKRL-DZGCQCFKSA-N 2 2 306.410 1.361 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000371197474 307144511 /nfs/dbraw/zinc/14/45/11/307144511.db2.gz WYZVZWPVRPYVBD-OAHLLOKOSA-N 2 2 321.425 1.989 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000371197474 307144512 /nfs/dbraw/zinc/14/45/12/307144512.db2.gz WYZVZWPVRPYVBD-OAHLLOKOSA-N 2 2 321.425 1.989 20 5 DDBDLP COc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000515666060 307408619 /nfs/dbraw/zinc/40/86/19/307408619.db2.gz DGTQKKAVHXGALB-UHFFFAOYSA-N 2 2 317.349 1.649 20 5 DDBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCC[NH3+] ZINC000843350964 702864424 /nfs/dbraw/zinc/86/44/24/702864424.db2.gz CDJQKCNAESHERN-VIFPVBQESA-N 2 2 314.773 1.856 20 5 DDBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCC[NH3+] ZINC000843350964 702864426 /nfs/dbraw/zinc/86/44/26/702864426.db2.gz CDJQKCNAESHERN-VIFPVBQESA-N 2 2 314.773 1.856 20 5 DDBDLP C[C@@H](CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000895297402 711478730 /nfs/dbraw/zinc/47/87/30/711478730.db2.gz LRKBUBQBHNQGRM-NSHDSACASA-N 2 2 309.366 1.796 20 5 DDBDLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538499 896494264 /nfs/dbraw/zinc/49/42/64/896494264.db2.gz WFTADSCETGPCEY-DGCLKSJQSA-N 2 2 309.366 1.396 20 5 DDBDLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000278725083 214356619 /nfs/dbraw/zinc/35/66/19/214356619.db2.gz VKFJVRLOEAREMV-UHFFFAOYSA-N 2 2 320.393 1.191 20 5 DDBDLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000278725083 214356621 /nfs/dbraw/zinc/35/66/21/214356621.db2.gz VKFJVRLOEAREMV-UHFFFAOYSA-N 2 2 320.393 1.191 20 5 DDBDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592183739 355528127 /nfs/dbraw/zinc/52/81/27/355528127.db2.gz WDOVYRURUXJOQS-UHFFFAOYSA-N 2 2 305.378 1.891 20 5 DDBDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592183739 355528131 /nfs/dbraw/zinc/52/81/31/355528131.db2.gz WDOVYRURUXJOQS-UHFFFAOYSA-N 2 2 305.378 1.891 20 5 DDBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565158466 304047110 /nfs/dbraw/zinc/04/71/10/304047110.db2.gz SAQOKCORTRTJKA-UHFFFAOYSA-N 2 2 303.322 1.346 20 5 DDBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)CC1 ZINC000595315302 356446984 /nfs/dbraw/zinc/44/69/84/356446984.db2.gz ZYQJMFIVSKJVLR-CYBMUJFWSA-N 2 2 323.397 1.103 20 5 DDBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)CC1 ZINC000595315302 356446988 /nfs/dbraw/zinc/44/69/88/356446988.db2.gz ZYQJMFIVSKJVLR-CYBMUJFWSA-N 2 2 323.397 1.103 20 5 DDBDLP CC[N@H+](CC[NH3+])Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600774538 358312216 /nfs/dbraw/zinc/31/22/16/358312216.db2.gz LANZNMREJYDEOP-UHFFFAOYSA-N 2 2 303.366 1.776 20 5 DDBDLP CC[N@@H+](CC[NH3+])Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600774538 358312220 /nfs/dbraw/zinc/31/22/20/358312220.db2.gz LANZNMREJYDEOP-UHFFFAOYSA-N 2 2 303.366 1.776 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115795 358408108 /nfs/dbraw/zinc/40/81/08/358408108.db2.gz CGRJFHYSYGVUMG-GFCCVEGCSA-N 2 2 323.372 1.709 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115795 358408111 /nfs/dbraw/zinc/40/81/11/358408111.db2.gz CGRJFHYSYGVUMG-GFCCVEGCSA-N 2 2 323.372 1.709 20 5 DDBDLP C[C@@H]1C[N@H+](CCO)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601172728 358432307 /nfs/dbraw/zinc/43/23/07/358432307.db2.gz HOACFGCBXCGJGP-GFCCVEGCSA-N 2 2 316.361 1.646 20 5 DDBDLP C[C@@H]1C[N@@H+](CCO)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601172728 358432310 /nfs/dbraw/zinc/43/23/10/358432310.db2.gz HOACFGCBXCGJGP-GFCCVEGCSA-N 2 2 316.361 1.646 20 5 DDBDLP C[C@H](C[NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237581774 202291780 /nfs/dbraw/zinc/29/17/80/202291780.db2.gz MPNQQEKPAQQVGY-SNVBAGLBSA-N 2 2 303.322 1.105 20 5 DDBDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262449760 407837522 /nfs/dbraw/zinc/83/75/22/407837522.db2.gz HPKBLULUTHLCCV-RYUDHWBXSA-N 2 2 306.366 1.450 20 5 DDBDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262449760 407837526 /nfs/dbraw/zinc/83/75/26/407837526.db2.gz HPKBLULUTHLCCV-RYUDHWBXSA-N 2 2 306.366 1.450 20 5 DDBDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000330708697 287015306 /nfs/dbraw/zinc/01/53/06/287015306.db2.gz RJMVAUKRVUADNR-GFCCVEGCSA-N 2 2 306.366 1.019 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[NH2+]CC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000342094223 409559513 /nfs/dbraw/zinc/55/95/13/409559513.db2.gz FBAONUNGAWUJCY-NSHDSACASA-N 2 2 306.366 1.701 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414959012 419894294 /nfs/dbraw/zinc/89/42/94/419894294.db2.gz WWBABLRCQODEJJ-ZYHUDNBSSA-N 2 2 309.366 1.842 20 5 DDBDLP Cc1cc(NCCCC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420233988 420159401 /nfs/dbraw/zinc/15/94/01/420159401.db2.gz NDQKXWKYNJGUEW-UHFFFAOYSA-N 2 2 301.350 1.933 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423234574 294428304 /nfs/dbraw/zinc/42/83/04/294428304.db2.gz LZFSVUJJGNJKJC-UKRRQHHQSA-N 2 2 315.377 1.759 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567691549 308090851 /nfs/dbraw/zinc/09/08/51/308090851.db2.gz ZHMJSIHLWCHWIS-GFCCVEGCSA-N 2 2 306.366 1.607 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567691549 308090853 /nfs/dbraw/zinc/09/08/53/308090853.db2.gz ZHMJSIHLWCHWIS-GFCCVEGCSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866788 706519577 /nfs/dbraw/zinc/51/95/77/706519577.db2.gz XDYCIBUPOHDUAF-JKSUJKDBSA-N 2 2 323.393 1.017 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866788 706519578 /nfs/dbraw/zinc/51/95/78/706519578.db2.gz XDYCIBUPOHDUAF-JKSUJKDBSA-N 2 2 323.393 1.017 20 5 DDBDLP C[NH+]1C[C@]2(C)C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@]2(C)C1 ZINC000931311825 714062776 /nfs/dbraw/zinc/06/27/76/714062776.db2.gz PQEPZGCCPZGLNW-HZPDHXFCSA-N 2 2 320.393 1.030 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923365519 714329314 /nfs/dbraw/zinc/32/93/14/714329314.db2.gz FPXUHMOQXRDEPK-HZPDHXFCSA-N 2 2 305.378 1.704 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923365519 714329315 /nfs/dbraw/zinc/32/93/15/714329315.db2.gz FPXUHMOQXRDEPK-HZPDHXFCSA-N 2 2 305.378 1.704 20 5 DDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000923397100 714341081 /nfs/dbraw/zinc/34/10/81/714341081.db2.gz ADOXCCQIDKJXNK-HIFRSBDPSA-N 2 2 321.377 1.209 20 5 DDBDLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001169199936 762278873 /nfs/dbraw/zinc/27/88/73/762278873.db2.gz SHEXRLIQINLVCG-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448162 355313546 /nfs/dbraw/zinc/31/35/46/355313546.db2.gz FFIKJEOEZQZMKX-TZMCWYRMSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448162 355313550 /nfs/dbraw/zinc/31/35/50/355313550.db2.gz FFIKJEOEZQZMKX-TZMCWYRMSA-N 2 2 318.377 1.607 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489415 355598013 /nfs/dbraw/zinc/59/80/13/355598013.db2.gz VDPGKZJUSSPGBV-UPJWGTAASA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489415 355598016 /nfs/dbraw/zinc/59/80/16/355598016.db2.gz VDPGKZJUSSPGBV-UPJWGTAASA-N 2 2 320.393 1.981 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036812 283156597 /nfs/dbraw/zinc/15/65/97/283156597.db2.gz HIOIXKCUWLDPOP-CMPLNLGQSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036812 283156600 /nfs/dbraw/zinc/15/66/00/283156600.db2.gz HIOIXKCUWLDPOP-CMPLNLGQSA-N 2 2 309.366 1.781 20 5 DDBDLP Cc1c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000595864502 356682834 /nfs/dbraw/zinc/68/28/34/356682834.db2.gz BGIJJSGBNMBVMT-MRXNPFEDSA-N 2 2 319.405 1.934 20 5 DDBDLP Cc1c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000595864502 356682835 /nfs/dbraw/zinc/68/28/35/356682835.db2.gz BGIJJSGBNMBVMT-MRXNPFEDSA-N 2 2 319.405 1.934 20 5 DDBDLP Cc1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989273 357407068 /nfs/dbraw/zinc/40/70/68/357407068.db2.gz AUWAXCNGAPWSEQ-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989273 357407072 /nfs/dbraw/zinc/40/70/72/357407072.db2.gz AUWAXCNGAPWSEQ-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)n1 ZINC000351491443 284340889 /nfs/dbraw/zinc/34/08/89/284340889.db2.gz GXAHMTHUUKQDLM-QWHCGFSZSA-N 2 2 304.354 1.761 20 5 DDBDLP C[NH+](C)C1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000158272426 197258759 /nfs/dbraw/zinc/25/87/59/197258759.db2.gz KAQSXRRZMPSSIQ-UHFFFAOYSA-N 2 2 315.333 1.167 20 5 DDBDLP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000125020595 407376714 /nfs/dbraw/zinc/37/67/14/407376714.db2.gz DAWUDUMLTGCUOP-LLVKDONJSA-N 2 2 315.333 1.214 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346110007 409790273 /nfs/dbraw/zinc/79/02/73/409790273.db2.gz VLSUCWKMWLAHON-LBPRGKRZSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000346110007 409790284 /nfs/dbraw/zinc/79/02/84/409790284.db2.gz VLSUCWKMWLAHON-LBPRGKRZSA-N 2 2 306.366 1.655 20 5 DDBDLP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000346847630 410193496 /nfs/dbraw/zinc/19/34/96/410193496.db2.gz DKWFSNKVBRAGBC-CQSZACIVSA-N 2 2 304.394 1.716 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000348436392 410964814 /nfs/dbraw/zinc/96/48/14/410964814.db2.gz XAPVYDDDEMQCPJ-CQSZACIVSA-N 2 2 303.366 1.569 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430553501 420136696 /nfs/dbraw/zinc/13/66/96/420136696.db2.gz TWIYHPMRLNQDJJ-QWHCGFSZSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430553501 420136700 /nfs/dbraw/zinc/13/67/00/420136700.db2.gz TWIYHPMRLNQDJJ-QWHCGFSZSA-N 2 2 320.393 1.901 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000420297579 420188374 /nfs/dbraw/zinc/18/83/74/420188374.db2.gz YUMXLDRDEMVONM-LBPRGKRZSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000420297579 420188379 /nfs/dbraw/zinc/18/83/79/420188379.db2.gz YUMXLDRDEMVONM-LBPRGKRZSA-N 2 2 322.365 1.355 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915445 420203150 /nfs/dbraw/zinc/20/31/50/420203150.db2.gz CXQYWYUWIZYKLJ-STQMWFEESA-N 2 2 320.393 1.772 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915445 420203156 /nfs/dbraw/zinc/20/31/56/420203156.db2.gz CXQYWYUWIZYKLJ-STQMWFEESA-N 2 2 320.393 1.772 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939898 420214870 /nfs/dbraw/zinc/21/48/70/420214870.db2.gz MUPRRTFZPZERRG-GYSYKLTISA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939898 420214872 /nfs/dbraw/zinc/21/48/72/420214872.db2.gz MUPRRTFZPZERRG-GYSYKLTISA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000430572766 420143913 /nfs/dbraw/zinc/14/39/13/420143913.db2.gz OSNXVDIACXSQTJ-INIZCTEOSA-N 2 2 318.377 1.201 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420363524 420237799 /nfs/dbraw/zinc/23/77/99/420237799.db2.gz NYIUGDLQBHHSLI-CYBMUJFWSA-N 2 2 308.382 1.805 20 5 DDBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843053343 702809225 /nfs/dbraw/zinc/80/92/25/702809225.db2.gz XDUOXXLNXYZDSU-UHFFFAOYSA-N 2 2 312.801 1.585 20 5 DDBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843053343 702809227 /nfs/dbraw/zinc/80/92/27/702809227.db2.gz XDUOXXLNXYZDSU-UHFFFAOYSA-N 2 2 312.801 1.585 20 5 DDBDLP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000872631857 707524124 /nfs/dbraw/zinc/52/41/24/707524124.db2.gz KLEHSILWENDMSH-UHFFFAOYSA-N 2 2 311.386 1.039 20 5 DDBDLP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000872631857 707524129 /nfs/dbraw/zinc/52/41/29/707524129.db2.gz KLEHSILWENDMSH-UHFFFAOYSA-N 2 2 311.386 1.039 20 5 DDBDLP COCCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[NH2+]CC1 ZINC000873225173 707775586 /nfs/dbraw/zinc/77/55/86/707775586.db2.gz SCYNXRQQPNIPBQ-UHFFFAOYSA-N 2 2 311.357 1.982 20 5 DDBDLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737202 714659388 /nfs/dbraw/zinc/65/93/88/714659388.db2.gz LYMSKPTXQGSOJR-BMFZPTHFSA-N 2 2 305.378 1.512 20 5 DDBDLP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737202 714659391 /nfs/dbraw/zinc/65/93/91/714659391.db2.gz LYMSKPTXQGSOJR-BMFZPTHFSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737202 714659392 /nfs/dbraw/zinc/65/93/92/714659392.db2.gz LYMSKPTXQGSOJR-BMFZPTHFSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737202 714659394 /nfs/dbraw/zinc/65/93/94/714659394.db2.gz LYMSKPTXQGSOJR-BMFZPTHFSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+](C)CCONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001118762459 781235720 /nfs/dbraw/zinc/23/57/20/781235720.db2.gz BYPMDBYVPNUOMM-UHFFFAOYSA-N 2 2 319.321 1.004 20 5 DDBDLP CCC[NH+]1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551632 185302919 /nfs/dbraw/zinc/30/29/19/185302919.db2.gz ASNCJVZSKPXTQX-UHFFFAOYSA-N 2 2 322.409 1.563 20 5 DDBDLP CCC[NH+]1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551632 185302920 /nfs/dbraw/zinc/30/29/20/185302920.db2.gz ASNCJVZSKPXTQX-UHFFFAOYSA-N 2 2 322.409 1.563 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734047 355373667 /nfs/dbraw/zinc/37/36/67/355373667.db2.gz YOUWVZCMHGXUGN-GXTWGEPZSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734047 355373671 /nfs/dbraw/zinc/37/36/71/355373671.db2.gz YOUWVZCMHGXUGN-GXTWGEPZSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591733952 355374241 /nfs/dbraw/zinc/37/42/41/355374241.db2.gz QGBIGTMTRCBOTH-LBPRGKRZSA-N 2 2 306.366 1.607 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591733952 355374245 /nfs/dbraw/zinc/37/42/45/355374245.db2.gz QGBIGTMTRCBOTH-LBPRGKRZSA-N 2 2 306.366 1.607 20 5 DDBDLP C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000602482356 359008798 /nfs/dbraw/zinc/00/87/98/359008798.db2.gz FNZOCNGWIYKYMU-AAEUAGOBSA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000602482356 359008799 /nfs/dbraw/zinc/00/87/99/359008799.db2.gz FNZOCNGWIYKYMU-AAEUAGOBSA-N 2 2 304.354 1.608 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000602891808 359275798 /nfs/dbraw/zinc/27/57/98/359275798.db2.gz PJTWDWUGTRFMPS-MRXNPFEDSA-N 2 2 323.393 1.362 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000602891808 359275801 /nfs/dbraw/zinc/27/58/01/359275801.db2.gz PJTWDWUGTRFMPS-MRXNPFEDSA-N 2 2 323.393 1.362 20 5 DDBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000611170467 360643691 /nfs/dbraw/zinc/64/36/91/360643691.db2.gz MGOUAHDKYKVXRI-CHWSQXEVSA-N 2 2 314.345 1.901 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465042 422771438 /nfs/dbraw/zinc/77/14/38/422771438.db2.gz HMVJNDGIOJLSLW-UONOGXRCSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465042 422771443 /nfs/dbraw/zinc/77/14/43/422771443.db2.gz HMVJNDGIOJLSLW-UONOGXRCSA-N 2 2 309.366 1.018 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261663140 407570893 /nfs/dbraw/zinc/57/08/93/407570893.db2.gz IKXDHGZTFKZTPR-ABAIWWIYSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261663140 407570899 /nfs/dbraw/zinc/57/08/99/407570899.db2.gz IKXDHGZTFKZTPR-ABAIWWIYSA-N 2 2 306.366 1.593 20 5 DDBDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550846 407170168 /nfs/dbraw/zinc/17/01/68/407170168.db2.gz ZULAFDQXPPPVQS-CQSZACIVSA-N 2 2 322.409 1.563 20 5 DDBDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550846 407170171 /nfs/dbraw/zinc/17/01/71/407170171.db2.gz ZULAFDQXPPPVQS-CQSZACIVSA-N 2 2 322.409 1.563 20 5 DDBDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550846 407170173 /nfs/dbraw/zinc/17/01/73/407170173.db2.gz ZULAFDQXPPPVQS-CQSZACIVSA-N 2 2 322.409 1.563 20 5 DDBDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550846 407170176 /nfs/dbraw/zinc/17/01/76/407170176.db2.gz ZULAFDQXPPPVQS-CQSZACIVSA-N 2 2 322.409 1.563 20 5 DDBDLP C[C@]1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000261970997 407695448 /nfs/dbraw/zinc/69/54/48/407695448.db2.gz IFPBKSLIKWOQKG-INIZCTEOSA-N 2 2 304.394 1.716 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647660 410057036 /nfs/dbraw/zinc/05/70/36/410057036.db2.gz BAFCOBNHKBBAFT-QWRGUYRKSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647660 410057042 /nfs/dbraw/zinc/05/70/42/410057042.db2.gz BAFCOBNHKBBAFT-QWRGUYRKSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000346673587 410070074 /nfs/dbraw/zinc/07/00/74/410070074.db2.gz IDOYKQWVIUMZQA-GHMZBOCLSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000346673587 410070079 /nfs/dbraw/zinc/07/00/79/410070079.db2.gz IDOYKQWVIUMZQA-GHMZBOCLSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000346673594 410071159 /nfs/dbraw/zinc/07/11/59/410071159.db2.gz IDOYKQWVIUMZQA-WDEREUQCSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000346673594 410071162 /nfs/dbraw/zinc/07/11/62/410071162.db2.gz IDOYKQWVIUMZQA-WDEREUQCSA-N 2 2 309.366 1.781 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351858611 410296895 /nfs/dbraw/zinc/29/68/95/410296895.db2.gz BDDYDUFPIKHDRH-TUAOUCFPSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351858611 410296902 /nfs/dbraw/zinc/29/69/02/410296902.db2.gz BDDYDUFPIKHDRH-TUAOUCFPSA-N 2 2 306.366 1.591 20 5 DDBDLP COc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000422936395 227268321 /nfs/dbraw/zinc/26/83/21/227268321.db2.gz BNIXBNRPQNYNGA-JKSUJKDBSA-N 2 2 321.377 1.460 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915443 420202253 /nfs/dbraw/zinc/20/22/53/420202253.db2.gz CXQYWYUWIZYKLJ-OLZOCXBDSA-N 2 2 320.393 1.772 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915443 420202257 /nfs/dbraw/zinc/20/22/57/420202257.db2.gz CXQYWYUWIZYKLJ-OLZOCXBDSA-N 2 2 320.393 1.772 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430633302 420164674 /nfs/dbraw/zinc/16/46/74/420164674.db2.gz ZRJDFWKFPNSUCL-RYUDHWBXSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430633302 420164677 /nfs/dbraw/zinc/16/46/77/420164677.db2.gz ZRJDFWKFPNSUCL-RYUDHWBXSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000430960911 420224688 /nfs/dbraw/zinc/22/46/88/420224688.db2.gz AMWQVFKBKOPXOY-ZWNOBZJWSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000430960911 420224694 /nfs/dbraw/zinc/22/46/94/420224694.db2.gz AMWQVFKBKOPXOY-ZWNOBZJWSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420382016 420250462 /nfs/dbraw/zinc/25/04/62/420250462.db2.gz PKOALTIUWNKQKX-UPJWGTAASA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420382016 420250465 /nfs/dbraw/zinc/25/04/65/420250465.db2.gz PKOALTIUWNKQKX-UPJWGTAASA-N 2 2 320.393 1.839 20 5 DDBDLP CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450025551 421129687 /nfs/dbraw/zinc/12/96/87/421129687.db2.gz SUUNWKYTTNXFAU-UHFFFAOYSA-N 2 2 317.349 1.414 20 5 DDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572420034 421785565 /nfs/dbraw/zinc/78/55/65/421785565.db2.gz GYKKWDQJGVKQNX-PWSUYJOCSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572420034 421785570 /nfs/dbraw/zinc/78/55/70/421785570.db2.gz GYKKWDQJGVKQNX-PWSUYJOCSA-N 2 2 317.349 1.956 20 5 DDBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[NH+]1CCCC1 ZINC000801601862 700326317 /nfs/dbraw/zinc/32/63/17/700326317.db2.gz PWALBBQWOLYBPM-INIZCTEOSA-N 2 2 307.394 1.526 20 5 DDBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[NH+]1CCCC1 ZINC000801601862 700326321 /nfs/dbraw/zinc/32/63/21/700326321.db2.gz PWALBBQWOLYBPM-INIZCTEOSA-N 2 2 307.394 1.526 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843388618 702871556 /nfs/dbraw/zinc/87/15/56/702871556.db2.gz UIDAICMEYWSNPW-ZDUSSCGKSA-N 2 2 323.368 1.921 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843388618 702871559 /nfs/dbraw/zinc/87/15/59/702871559.db2.gz UIDAICMEYWSNPW-ZDUSSCGKSA-N 2 2 323.368 1.921 20 5 DDBDLP CN(CCC[N@H+](C)Cc1cccnc1[N+](=O)[O-])CC[NH+](C)C ZINC000886208039 708715116 /nfs/dbraw/zinc/71/51/16/708715116.db2.gz SXHPXXBVWYBAHY-UHFFFAOYSA-N 2 2 309.414 1.305 20 5 DDBDLP CN(CCC[N@@H+](C)Cc1cccnc1[N+](=O)[O-])CC[NH+](C)C ZINC000886208039 708715117 /nfs/dbraw/zinc/71/51/17/708715117.db2.gz SXHPXXBVWYBAHY-UHFFFAOYSA-N 2 2 309.414 1.305 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467272 710762969 /nfs/dbraw/zinc/76/29/69/710762969.db2.gz OPCMLNLHQFCBLC-DZGBDDFRSA-N 2 2 318.377 1.794 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813929 711289315 /nfs/dbraw/zinc/28/93/15/711289315.db2.gz CVWPTLYMVSJLCJ-UHFFFAOYSA-N 2 2 305.378 1.939 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813929 711289317 /nfs/dbraw/zinc/28/93/17/711289317.db2.gz CVWPTLYMVSJLCJ-UHFFFAOYSA-N 2 2 305.378 1.939 20 5 DDBDLP CN(C)c1[nH+]cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1C ZINC000414357635 529809215 /nfs/dbraw/zinc/80/92/15/529809215.db2.gz JRMVCRDJIWSNHJ-UHFFFAOYSA-N 2 2 303.366 1.727 20 5 DDBDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000330708698 232009362 /nfs/dbraw/zinc/00/93/62/232009362.db2.gz RJMVAUKRVUADNR-LBPRGKRZSA-N 2 2 306.366 1.019 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733987 355373866 /nfs/dbraw/zinc/37/38/66/355373866.db2.gz SJHFNNOYBYLQBE-QWHCGFSZSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733987 355373868 /nfs/dbraw/zinc/37/38/68/355373868.db2.gz SJHFNNOYBYLQBE-QWHCGFSZSA-N 2 2 309.366 1.018 20 5 DDBDLP CC1([NH3+])CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592431682 355581867 /nfs/dbraw/zinc/58/18/67/355581867.db2.gz ZIMNYHKUNRSQGD-UHFFFAOYSA-N 2 2 307.350 1.679 20 5 DDBDLP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000592431542 355582163 /nfs/dbraw/zinc/58/21/63/355582163.db2.gz CLRGARXQMSQZBQ-UHFFFAOYSA-N 2 2 309.366 1.925 20 5 DDBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593907448 356053193 /nfs/dbraw/zinc/05/31/93/356053193.db2.gz OYMUSYPDOWVYGD-AWEZNQCLSA-N 2 2 320.393 1.365 20 5 DDBDLP Cn1cc[nH+]c1[C@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000596648341 356941013 /nfs/dbraw/zinc/94/10/13/356941013.db2.gz QGOWJRUUYICXFR-GXTWGEPZSA-N 2 2 301.350 1.369 20 5 DDBDLP CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609802291 360352535 /nfs/dbraw/zinc/35/25/35/360352535.db2.gz OOVLWEGXVVHWIF-OAHLLOKOSA-N 2 2 319.409 1.595 20 5 DDBDLP CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609802291 360352536 /nfs/dbraw/zinc/35/25/36/360352536.db2.gz OOVLWEGXVVHWIF-OAHLLOKOSA-N 2 2 319.409 1.595 20 5 DDBDLP C[NH+](C)Cc1cnc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000352756009 285278848 /nfs/dbraw/zinc/27/88/48/285278848.db2.gz AFEOUYRWZQYQCU-UHFFFAOYSA-N 2 2 310.383 1.099 20 5 DDBDLP COc1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000414300683 533677374 /nfs/dbraw/zinc/67/73/74/533677374.db2.gz LAZFWSJRHHPOFO-UHFFFAOYSA-N 2 2 319.365 1.693 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261730825 407596217 /nfs/dbraw/zinc/59/62/17/407596217.db2.gz OJHWHITZEPOGCF-ABAIWWIYSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261730825 407596214 /nfs/dbraw/zinc/59/62/14/407596214.db2.gz OJHWHITZEPOGCF-ABAIWWIYSA-N 2 2 306.366 1.593 20 5 DDBDLP CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000151327912 408296371 /nfs/dbraw/zinc/29/63/71/408296371.db2.gz CGVAJPKASUTJJP-UHFFFAOYSA-N 2 2 303.322 1.120 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251981 410420276 /nfs/dbraw/zinc/42/02/76/410420276.db2.gz NDFMMNRJFANMOT-BLLLJJGKSA-N 2 2 323.393 1.711 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251981 410420281 /nfs/dbraw/zinc/42/02/81/410420281.db2.gz NDFMMNRJFANMOT-BLLLJJGKSA-N 2 2 323.393 1.711 20 5 DDBDLP CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359048195 410549754 /nfs/dbraw/zinc/54/97/54/410549754.db2.gz VIUKLIRXIZQZDM-UKRRQHHQSA-N 2 2 309.366 1.412 20 5 DDBDLP CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359048195 410549760 /nfs/dbraw/zinc/54/97/60/410549760.db2.gz VIUKLIRXIZQZDM-UKRRQHHQSA-N 2 2 309.366 1.412 20 5 DDBDLP COc1cc(C[NH2+][C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414937969 419881001 /nfs/dbraw/zinc/88/10/01/419881001.db2.gz XXTFVNIALDRTJJ-MRVPVSSYSA-N 2 2 319.308 1.684 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414959010 419894547 /nfs/dbraw/zinc/89/45/47/419894547.db2.gz WWBABLRCQODEJJ-JQWIXIFHSA-N 2 2 309.366 1.842 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423326297 420014151 /nfs/dbraw/zinc/01/41/51/420014151.db2.gz QWQZFMQKXZWXGB-LSDHHAIUSA-N 2 2 315.377 1.745 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430565164 420140480 /nfs/dbraw/zinc/14/04/80/420140480.db2.gz OMNPPKAIXPRBSU-OLZOCXBDSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430565164 420140484 /nfs/dbraw/zinc/14/04/84/420140484.db2.gz OMNPPKAIXPRBSU-OLZOCXBDSA-N 2 2 320.393 1.901 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420320364 420204525 /nfs/dbraw/zinc/20/45/25/420204525.db2.gz BKIZZQUTNXLHBY-LBPRGKRZSA-N 2 2 323.368 1.921 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000420320364 420204527 /nfs/dbraw/zinc/20/45/27/420204527.db2.gz BKIZZQUTNXLHBY-LBPRGKRZSA-N 2 2 323.368 1.921 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430633303 420164992 /nfs/dbraw/zinc/16/49/92/420164992.db2.gz ZRJDFWKFPNSUCL-VXGBXAGGSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430633303 420164994 /nfs/dbraw/zinc/16/49/94/420164994.db2.gz ZRJDFWKFPNSUCL-VXGBXAGGSA-N 2 2 306.366 1.593 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972639 420229337 /nfs/dbraw/zinc/22/93/37/420229337.db2.gz UATYWFXPHZBUAV-NEPJUHHUSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972639 420229340 /nfs/dbraw/zinc/22/93/40/420229340.db2.gz UATYWFXPHZBUAV-NEPJUHHUSA-N 2 2 306.366 1.463 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420373530 420245242 /nfs/dbraw/zinc/24/52/42/420245242.db2.gz RHJIDAQATKSXID-JUFZMCDQSA-N 2 2 320.393 1.898 20 5 DDBDLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124556 420247769 /nfs/dbraw/zinc/24/77/69/420247769.db2.gz DFUFHWRUKBKWQV-IUODEOHRSA-N 2 2 307.394 1.829 20 5 DDBDLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317127 420448818 /nfs/dbraw/zinc/44/88/18/420448818.db2.gz VRMGPQYHQCLVCJ-GOEBONIOSA-N 2 2 307.394 1.874 20 5 DDBDLP CC(C)[NH2+]C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132919486 281472959 /nfs/dbraw/zinc/47/29/59/281472959.db2.gz ZWEDTTZELCGZQZ-UHFFFAOYSA-N 2 2 308.382 1.219 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000374422491 307208072 /nfs/dbraw/zinc/20/80/72/307208072.db2.gz KDFYPZOKTPIHFU-SNVBAGLBSA-N 2 2 311.411 1.632 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000374422491 307208073 /nfs/dbraw/zinc/20/80/73/307208073.db2.gz KDFYPZOKTPIHFU-SNVBAGLBSA-N 2 2 311.411 1.632 20 5 DDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001173231633 777063214 /nfs/dbraw/zinc/06/32/14/777063214.db2.gz NFUQPFZWZPHAAY-CQSZACIVSA-N 2 2 318.421 1.457 20 5 DDBDLP Cc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001156176014 862776640 /nfs/dbraw/zinc/77/66/40/862776640.db2.gz HIQCHNKHHZPIDI-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP Cc1[nH+]c2c(n1-c1nc(C)cc(C)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352539 869540720 /nfs/dbraw/zinc/54/07/20/869540720.db2.gz BGUIXTZKMGRPBL-UHFFFAOYSA-N 2 2 301.350 1.789 20 5 DDBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000172198097 198056088 /nfs/dbraw/zinc/05/60/88/198056088.db2.gz XDNJVRNIWIKEPA-LBPRGKRZSA-N 2 2 321.377 1.845 20 5 DDBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000172198097 198056090 /nfs/dbraw/zinc/05/60/90/198056090.db2.gz XDNJVRNIWIKEPA-LBPRGKRZSA-N 2 2 321.377 1.845 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000564988078 304033139 /nfs/dbraw/zinc/03/31/39/304033139.db2.gz CWJUVHRLJFZCSD-GFCCVEGCSA-N 2 2 322.365 1.226 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000564988078 304033141 /nfs/dbraw/zinc/03/31/41/304033141.db2.gz CWJUVHRLJFZCSD-GFCCVEGCSA-N 2 2 322.365 1.226 20 5 DDBDLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592486139 355596230 /nfs/dbraw/zinc/59/62/30/355596230.db2.gz SLZRBMANGZMYBE-TZMCWYRMSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592486139 355596234 /nfs/dbraw/zinc/59/62/34/355596234.db2.gz SLZRBMANGZMYBE-TZMCWYRMSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1noc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000595491305 356515943 /nfs/dbraw/zinc/51/59/43/356515943.db2.gz VILBGMUPZUYBII-UHFFFAOYSA-N 2 2 313.402 1.207 20 5 DDBDLP Cc1noc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000595491305 356515947 /nfs/dbraw/zinc/51/59/47/356515947.db2.gz VILBGMUPZUYBII-UHFFFAOYSA-N 2 2 313.402 1.207 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000601185339 358438524 /nfs/dbraw/zinc/43/85/24/358438524.db2.gz WOUXPWZOFWIYNO-CYBMUJFWSA-N 2 2 314.345 1.398 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000601185339 358438528 /nfs/dbraw/zinc/43/85/28/358438528.db2.gz WOUXPWZOFWIYNO-CYBMUJFWSA-N 2 2 314.345 1.398 20 5 DDBDLP CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359039821 299313917 /nfs/dbraw/zinc/31/39/17/299313917.db2.gz JNXJNAWNSZWZMA-KBPBESRZSA-N 2 2 309.366 1.412 20 5 DDBDLP CO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359039821 299313920 /nfs/dbraw/zinc/31/39/20/299313920.db2.gz JNXJNAWNSZWZMA-KBPBESRZSA-N 2 2 309.366 1.412 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422711135 533222775 /nfs/dbraw/zinc/22/27/75/533222775.db2.gz GRAUZRNZMPFUIJ-WCQYABFASA-N 2 2 309.366 1.460 20 5 DDBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261953091 296514929 /nfs/dbraw/zinc/51/49/29/296514929.db2.gz OHSUIGBCKLMTMA-CQSZACIVSA-N 2 2 304.394 1.716 20 5 DDBDLP C[C@H]([NH3+])CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178613985 407510147 /nfs/dbraw/zinc/51/01/47/407510147.db2.gz LVQIIJQTSKEBMP-JTQLQIEISA-N 2 2 303.322 1.248 20 5 DDBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820974 407648297 /nfs/dbraw/zinc/64/82/97/407648297.db2.gz ZDLAJTJCQAGOIE-WFASDCNBSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820974 407648302 /nfs/dbraw/zinc/64/83/02/407648302.db2.gz ZDLAJTJCQAGOIE-WFASDCNBSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351857905 410293415 /nfs/dbraw/zinc/29/34/15/410293415.db2.gz CSHMVLIHIALLNO-SDDRHHMPSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351857905 410293422 /nfs/dbraw/zinc/29/34/22/410293422.db2.gz CSHMVLIHIALLNO-SDDRHHMPSA-N 2 2 306.366 1.591 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091117 419936993 /nfs/dbraw/zinc/93/69/93/419936993.db2.gz BPRLQCBZHQDJDR-BPUTZDHNSA-N 2 2 319.405 1.884 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423355973 420025113 /nfs/dbraw/zinc/02/51/13/420025113.db2.gz GCHPJJCJACRMQK-ZOWXZIJZSA-N 2 2 320.393 1.900 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915442 420203239 /nfs/dbraw/zinc/20/32/39/420203239.db2.gz CXQYWYUWIZYKLJ-CHWSQXEVSA-N 2 2 320.393 1.772 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430915442 420203243 /nfs/dbraw/zinc/20/32/43/420203243.db2.gz CXQYWYUWIZYKLJ-CHWSQXEVSA-N 2 2 320.393 1.772 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643310 420169693 /nfs/dbraw/zinc/16/96/93/420169693.db2.gz XACJAMWTXDPJDH-QWHCGFSZSA-N 2 2 320.393 1.853 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643310 420169695 /nfs/dbraw/zinc/16/96/95/420169695.db2.gz XACJAMWTXDPJDH-QWHCGFSZSA-N 2 2 320.393 1.853 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972742 420227642 /nfs/dbraw/zinc/22/76/42/420227642.db2.gz UATYWFXPHZBUAV-VXGBXAGGSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972742 420227647 /nfs/dbraw/zinc/22/76/47/420227647.db2.gz UATYWFXPHZBUAV-VXGBXAGGSA-N 2 2 306.366 1.463 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435610992 420265629 /nfs/dbraw/zinc/26/56/29/420265629.db2.gz OOUMEOKIWKLKBQ-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435610992 420265631 /nfs/dbraw/zinc/26/56/31/420265631.db2.gz OOUMEOKIWKLKBQ-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000423989985 420294823 /nfs/dbraw/zinc/29/48/23/420294823.db2.gz YYBVIIDKJAFRQC-PWSUYJOCSA-N 2 2 315.333 1.200 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777255 420713996 /nfs/dbraw/zinc/71/39/96/420713996.db2.gz IQKVSHOXINXLKA-GHMZBOCLSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777255 420713997 /nfs/dbraw/zinc/71/39/97/420713997.db2.gz IQKVSHOXINXLKA-GHMZBOCLSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517568397 421619316 /nfs/dbraw/zinc/61/93/16/421619316.db2.gz CIZLKVYLRLHTNM-WDEREUQCSA-N 2 2 317.349 1.636 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342134387 271312120 /nfs/dbraw/zinc/31/21/20/271312120.db2.gz PQISTKOQJPAPFI-JTQLQIEISA-N 2 2 322.365 1.401 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363779155 307035660 /nfs/dbraw/zinc/03/56/60/307035660.db2.gz CGYYRDNVFCJRSR-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363779155 307035661 /nfs/dbraw/zinc/03/56/61/307035661.db2.gz CGYYRDNVFCJRSR-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903723271 711255292 /nfs/dbraw/zinc/25/52/92/711255292.db2.gz GWODTVUCMNKEIB-AWEZNQCLSA-N 2 2 319.409 1.502 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3nsnc3c2[N+](=O)[O-])CC1 ZINC001168737433 748524965 /nfs/dbraw/zinc/52/49/65/748524965.db2.gz WXHSEDQPZAGXGX-UHFFFAOYSA-N 2 2 321.366 1.194 20 5 DDBDLP C[NH+](C)C1(CNc2ncc(F)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001156177033 761856156 /nfs/dbraw/zinc/85/61/56/761856156.db2.gz YPAMHNKFQGIAJE-UHFFFAOYSA-N 2 2 311.361 1.567 20 5 DDBDLP Cc1ncc([N+](=O)[O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001156182475 862787954 /nfs/dbraw/zinc/78/79/54/862787954.db2.gz VHYPFXIJSLYSAJ-UHFFFAOYSA-N 2 2 308.386 1.131 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C[C@H]3F)CC2)cc1 ZINC001246085802 892409459 /nfs/dbraw/zinc/40/94/59/892409459.db2.gz IZMYRNDSEVCMNT-HZPDHXFCSA-N 2 2 322.384 1.853 20 5 DDBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000278782533 214397561 /nfs/dbraw/zinc/39/75/61/214397561.db2.gz ZOSNGZHYEMDSMY-UHFFFAOYSA-N 2 2 319.340 1.790 20 5 DDBDLP CC[NH+](CC)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551212 185302251 /nfs/dbraw/zinc/30/22/51/185302251.db2.gz KJTIQMMTYUTPMH-CQSZACIVSA-N 2 2 322.409 1.420 20 5 DDBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551212 185302252 /nfs/dbraw/zinc/30/22/52/185302252.db2.gz KJTIQMMTYUTPMH-CQSZACIVSA-N 2 2 322.409 1.420 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147598 355255138 /nfs/dbraw/zinc/25/51/38/355255138.db2.gz STIJRALQIWJLHN-NSHDSACASA-N 2 2 323.372 1.709 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147598 355255140 /nfs/dbraw/zinc/25/51/40/355255140.db2.gz STIJRALQIWJLHN-NSHDSACASA-N 2 2 323.372 1.709 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000591299009 355283220 /nfs/dbraw/zinc/28/32/20/355283220.db2.gz XDUBGTMBCVBFAB-LBPRGKRZSA-N 2 2 307.354 1.010 20 5 DDBDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159467 304047887 /nfs/dbraw/zinc/04/78/87/304047887.db2.gz YVFNQMVCYPTKCR-MRXNPFEDSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159467 304047888 /nfs/dbraw/zinc/04/78/88/304047888.db2.gz YVFNQMVCYPTKCR-MRXNPFEDSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159467 304047890 /nfs/dbraw/zinc/04/78/90/304047890.db2.gz YVFNQMVCYPTKCR-MRXNPFEDSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159467 304047892 /nfs/dbraw/zinc/04/78/92/304047892.db2.gz YVFNQMVCYPTKCR-MRXNPFEDSA-N 2 2 307.394 1.872 20 5 DDBDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505799 356522763 /nfs/dbraw/zinc/52/27/63/356522763.db2.gz YNVNPIZHEWIAQG-INIZCTEOSA-N 2 2 320.393 1.174 20 5 DDBDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505799 356522766 /nfs/dbraw/zinc/52/27/66/356522766.db2.gz YNVNPIZHEWIAQG-INIZCTEOSA-N 2 2 320.393 1.174 20 5 DDBDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505799 356522769 /nfs/dbraw/zinc/52/27/69/356522769.db2.gz YNVNPIZHEWIAQG-INIZCTEOSA-N 2 2 320.393 1.174 20 5 DDBDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505799 356522772 /nfs/dbraw/zinc/52/27/72/356522772.db2.gz YNVNPIZHEWIAQG-INIZCTEOSA-N 2 2 320.393 1.174 20 5 DDBDLP O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)n1 ZINC000597116111 357064906 /nfs/dbraw/zinc/06/49/06/357064906.db2.gz DYNUHAYZQUGENR-UHFFFAOYSA-N 2 2 316.365 1.771 20 5 DDBDLP Cc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601980098 358765100 /nfs/dbraw/zinc/76/51/00/358765100.db2.gz DVQWSBGXAFRVSM-NHAGDIPZSA-N 2 2 311.345 1.412 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000602822491 359217106 /nfs/dbraw/zinc/21/71/06/359217106.db2.gz QWLKPUJFICRQHA-CQSZACIVSA-N 2 2 317.349 1.648 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000602822491 359217111 /nfs/dbraw/zinc/21/71/11/359217111.db2.gz QWLKPUJFICRQHA-CQSZACIVSA-N 2 2 317.349 1.648 20 5 DDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]12 ZINC000351494573 284343403 /nfs/dbraw/zinc/34/34/03/284343403.db2.gz OHHWOTVIOMDMFD-YUSALJHKSA-N 2 2 302.334 1.905 20 5 DDBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]12 ZINC000351494573 284343406 /nfs/dbraw/zinc/34/34/06/284343406.db2.gz OHHWOTVIOMDMFD-YUSALJHKSA-N 2 2 302.334 1.905 20 5 DDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000579488833 422778725 /nfs/dbraw/zinc/77/87/25/422778725.db2.gz PZZRPGSSMCDUCP-PWSUYJOCSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000579488833 422778730 /nfs/dbraw/zinc/77/87/30/422778730.db2.gz PZZRPGSSMCDUCP-PWSUYJOCSA-N 2 2 317.349 1.956 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351861723 410301382 /nfs/dbraw/zinc/30/13/82/410301382.db2.gz MABGXQZQRQDGFE-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351861723 410301385 /nfs/dbraw/zinc/30/13/85/410301385.db2.gz MABGXQZQRQDGFE-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000417352075 225305258 /nfs/dbraw/zinc/30/52/58/225305258.db2.gz FFSXMLFJQMBOJF-STQMWFEESA-N 2 2 307.398 1.959 20 5 DDBDLP CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000361003805 418563957 /nfs/dbraw/zinc/56/39/57/418563957.db2.gz VKFWMHYEISWPKB-UHFFFAOYSA-N 2 2 324.429 1.558 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423317829 420010811 /nfs/dbraw/zinc/01/08/11/420010811.db2.gz KRJPNVPFUBXPNS-CABCVRRESA-N 2 2 315.377 1.745 20 5 DDBDLP C[C@H]([NH3+])[C@H](C)N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423457884 420055291 /nfs/dbraw/zinc/05/52/91/420055291.db2.gz GHIXHQJDIRQJIG-MJVIPROJSA-N 2 2 303.366 1.743 20 5 DDBDLP [NH3+]C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430933440 420213226 /nfs/dbraw/zinc/21/32/26/420213226.db2.gz KTRLQMHAJWBPEF-SNVBAGLBSA-N 2 2 303.322 1.425 20 5 DDBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430933440 420213231 /nfs/dbraw/zinc/21/32/31/420213231.db2.gz KTRLQMHAJWBPEF-SNVBAGLBSA-N 2 2 303.322 1.425 20 5 DDBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430585335 420149507 /nfs/dbraw/zinc/14/95/07/420149507.db2.gz RUJIDEFUYCBJAY-HNNXBMFYSA-N 2 2 308.382 1.521 20 5 DDBDLP CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448975277 420926331 /nfs/dbraw/zinc/92/63/31/420926331.db2.gz GVXLYFCDEGSCSP-UHFFFAOYSA-N 2 2 317.349 1.462 20 5 DDBDLP CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448975277 420926335 /nfs/dbraw/zinc/92/63/35/420926335.db2.gz GVXLYFCDEGSCSP-UHFFFAOYSA-N 2 2 317.349 1.462 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423341951 303003682 /nfs/dbraw/zinc/00/36/82/303003682.db2.gz YIVOKOKZUPSXDY-CQSZACIVSA-N 2 2 315.377 1.889 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363779154 307035682 /nfs/dbraw/zinc/03/56/82/307035682.db2.gz CGYYRDNVFCJRSR-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363779154 307035683 /nfs/dbraw/zinc/03/56/83/307035683.db2.gz CGYYRDNVFCJRSR-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000819321832 704107207 /nfs/dbraw/zinc/10/72/07/704107207.db2.gz OGRPXRRHNZKITM-IAQYHMDHSA-N 2 2 302.334 1.498 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]2C1 ZINC000931438771 714097985 /nfs/dbraw/zinc/09/79/85/714097985.db2.gz ZSYLQKWLHRDYSV-NEPJUHHUSA-N 2 2 315.377 1.855 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]2C1 ZINC000931438771 714097988 /nfs/dbraw/zinc/09/79/88/714097988.db2.gz ZSYLQKWLHRDYSV-NEPJUHHUSA-N 2 2 315.377 1.855 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]2C1 ZINC000931438771 714097989 /nfs/dbraw/zinc/09/79/89/714097989.db2.gz ZSYLQKWLHRDYSV-NEPJUHHUSA-N 2 2 315.377 1.855 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]2C1 ZINC000931438771 714097991 /nfs/dbraw/zinc/09/79/91/714097991.db2.gz ZSYLQKWLHRDYSV-NEPJUHHUSA-N 2 2 315.377 1.855 20 5 DDBDLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037959 762192777 /nfs/dbraw/zinc/19/27/77/762192777.db2.gz UJBCTANKBAMCDZ-HOTGVXAUSA-N 3 2 314.474 1.637 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169074555 762222588 /nfs/dbraw/zinc/22/25/88/762222588.db2.gz RFDHMCLIWLMEMS-SNVBAGLBSA-N 2 2 301.306 1.124 20 5 DDBDLP C[C@H]1C[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000090551640 185302851 /nfs/dbraw/zinc/30/28/51/185302851.db2.gz NNRGUYRPHWFPJU-QWHCGFSZSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@H]1C[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000090551640 185302852 /nfs/dbraw/zinc/30/28/52/185302852.db2.gz NNRGUYRPHWFPJU-QWHCGFSZSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[NH+]1C ZINC000090551640 185302853 /nfs/dbraw/zinc/30/28/53/185302853.db2.gz NNRGUYRPHWFPJU-QWHCGFSZSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[NH+]1C ZINC000090551640 185302854 /nfs/dbraw/zinc/30/28/54/185302854.db2.gz NNRGUYRPHWFPJU-QWHCGFSZSA-N 2 2 308.382 1.171 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000595018594 356373125 /nfs/dbraw/zinc/37/31/25/356373125.db2.gz SPZVLFOCFVUDGY-TZMCWYRMSA-N 2 2 323.393 1.711 20 5 DDBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000595465372 356503210 /nfs/dbraw/zinc/50/32/10/356503210.db2.gz MKWJRKXPBKYADT-UHFFFAOYSA-N 2 2 305.313 1.779 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000179634276 199067923 /nfs/dbraw/zinc/06/79/23/199067923.db2.gz CZBATYYTHYXKQE-GFCCVEGCSA-N 2 2 323.393 1.996 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000179634276 199067925 /nfs/dbraw/zinc/06/79/25/199067925.db2.gz CZBATYYTHYXKQE-GFCCVEGCSA-N 2 2 323.393 1.996 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000600724825 358297271 /nfs/dbraw/zinc/29/72/71/358297271.db2.gz IHNHOVYXUBTNRD-UWVGGRQHSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000600724825 358297274 /nfs/dbraw/zinc/29/72/74/358297274.db2.gz IHNHOVYXUBTNRD-UWVGGRQHSA-N 2 2 321.303 1.250 20 5 DDBDLP Cc1cnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284014 360408538 /nfs/dbraw/zinc/40/85/38/360408538.db2.gz YNDDSZDYEABKAX-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1cnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284014 360408541 /nfs/dbraw/zinc/40/85/41/360408541.db2.gz YNDDSZDYEABKAX-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566416442 304152810 /nfs/dbraw/zinc/15/28/10/304152810.db2.gz PILRIFQDCQDHJD-UHFFFAOYSA-N 2 2 317.349 1.649 20 5 DDBDLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000579582594 422794510 /nfs/dbraw/zinc/79/45/10/422794510.db2.gz HFLNZLLSFZPNDX-LBPRGKRZSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000579582594 422794515 /nfs/dbraw/zinc/79/45/15/422794515.db2.gz HFLNZLLSFZPNDX-LBPRGKRZSA-N 2 2 318.377 1.750 20 5 DDBDLP CN(CCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])CC[NH+](C)C ZINC000339206502 250342508 /nfs/dbraw/zinc/34/25/08/250342508.db2.gz TWZNLONRVBTWKL-UHFFFAOYSA-N 2 2 324.425 1.616 20 5 DDBDLP CN(CCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])CC[NH+](C)C ZINC000339206502 250342514 /nfs/dbraw/zinc/34/25/14/250342514.db2.gz TWZNLONRVBTWKL-UHFFFAOYSA-N 2 2 324.425 1.616 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422711137 533222400 /nfs/dbraw/zinc/22/24/00/533222400.db2.gz GRAUZRNZMPFUIJ-YPMHNXCESA-N 2 2 309.366 1.460 20 5 DDBDLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414130156 224302652 /nfs/dbraw/zinc/30/26/52/224302652.db2.gz WOOVTDOBDSNDOQ-KBPBESRZSA-N 2 2 318.381 1.841 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261817321 407624914 /nfs/dbraw/zinc/62/49/14/407624914.db2.gz XLFJLCYWLRJQDH-OAHLLOKOSA-N 2 2 309.366 1.783 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261817321 407624917 /nfs/dbraw/zinc/62/49/17/407624917.db2.gz XLFJLCYWLRJQDH-OAHLLOKOSA-N 2 2 309.366 1.783 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261730833 407595142 /nfs/dbraw/zinc/59/51/42/407595142.db2.gz OJHWHITZEPOGCF-NHYWBVRUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261730833 407595149 /nfs/dbraw/zinc/59/51/49/407595149.db2.gz OJHWHITZEPOGCF-NHYWBVRUSA-N 2 2 306.366 1.593 20 5 DDBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000261955756 407689527 /nfs/dbraw/zinc/68/95/27/407689527.db2.gz XCODFOJRLIKNIN-YNEHKIRRSA-N 2 2 318.377 1.593 20 5 DDBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000261955756 407689535 /nfs/dbraw/zinc/68/95/35/407689535.db2.gz XCODFOJRLIKNIN-YNEHKIRRSA-N 2 2 318.377 1.593 20 5 DDBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000131884085 407756585 /nfs/dbraw/zinc/75/65/85/407756585.db2.gz WXNDUIAWACCLGF-LBPRGKRZSA-N 2 2 302.338 1.373 20 5 DDBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000131884085 407756591 /nfs/dbraw/zinc/75/65/91/407756591.db2.gz WXNDUIAWACCLGF-LBPRGKRZSA-N 2 2 302.338 1.373 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857651 410294629 /nfs/dbraw/zinc/29/46/29/410294629.db2.gz YBZKNPDZOGMOPK-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857651 410294635 /nfs/dbraw/zinc/29/46/35/410294635.db2.gz YBZKNPDZOGMOPK-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360561820 418465318 /nfs/dbraw/zinc/46/53/18/418465318.db2.gz KDHLEFXSBTVQEX-WBMJQRKESA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360561820 418465320 /nfs/dbraw/zinc/46/53/20/418465320.db2.gz KDHLEFXSBTVQEX-WBMJQRKESA-N 2 2 318.377 1.607 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360572295 418468488 /nfs/dbraw/zinc/46/84/88/418468488.db2.gz XDRJEJKWRMGZOE-INIZCTEOSA-N 2 2 321.377 1.668 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000360572295 418468492 /nfs/dbraw/zinc/46/84/92/418468492.db2.gz XDRJEJKWRMGZOE-INIZCTEOSA-N 2 2 321.377 1.668 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000365614258 418883088 /nfs/dbraw/zinc/88/30/88/418883088.db2.gz SFDGPOYPMCZMPE-JTQLQIEISA-N 2 2 317.305 1.873 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000365614258 418883091 /nfs/dbraw/zinc/88/30/91/418883091.db2.gz SFDGPOYPMCZMPE-JTQLQIEISA-N 2 2 317.305 1.873 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC([NH2+]C3CCCC3)CC2)n1 ZINC000365832181 418913482 /nfs/dbraw/zinc/91/34/82/418913482.db2.gz BPJNZXKHMGYBRX-UHFFFAOYSA-N 2 2 307.398 1.788 20 5 DDBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420374386 420245391 /nfs/dbraw/zinc/24/53/91/420245391.db2.gz NRKCNUIFCLNWPG-MRXNPFEDSA-N 2 2 318.377 1.269 20 5 DDBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420374386 420245394 /nfs/dbraw/zinc/24/53/94/420245394.db2.gz NRKCNUIFCLNWPG-MRXNPFEDSA-N 2 2 318.377 1.269 20 5 DDBDLP CN(C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000435618881 420265886 /nfs/dbraw/zinc/26/58/86/420265886.db2.gz ROOXCIIVQFXJNH-CYBMUJFWSA-N 2 2 320.393 1.632 20 5 DDBDLP CN(C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000435618881 420265891 /nfs/dbraw/zinc/26/58/91/420265891.db2.gz ROOXCIIVQFXJNH-CYBMUJFWSA-N 2 2 320.393 1.632 20 5 DDBDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000424337405 307301314 /nfs/dbraw/zinc/30/13/14/307301314.db2.gz RNPZVDSIMUTXPR-IJLUTSLNSA-N 2 2 306.366 1.781 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424298371 534338495 /nfs/dbraw/zinc/33/84/95/534338495.db2.gz DBJPYVNVXYHVDI-CHWSQXEVSA-N 2 2 306.366 1.701 20 5 DDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000923382082 714335529 /nfs/dbraw/zinc/33/55/29/714335529.db2.gz QPTVWANHKJSIGH-AWEZNQCLSA-N 2 2 321.377 1.162 20 5 DDBDLP Cc1[nH+]c2c(n1-c1cnc3cc([N+](=O)[O-])ccc3n1)CC[NH2+]CC2 ZINC001165352655 869539294 /nfs/dbraw/zinc/53/92/94/869539294.db2.gz ZLWPSQWSHPMESM-UHFFFAOYSA-N 2 2 324.344 1.720 20 5 DDBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000323856673 354541961 /nfs/dbraw/zinc/54/19/61/354541961.db2.gz ZRVYDSCSVYXLPM-LRDDRELGSA-N 2 2 318.377 1.594 20 5 DDBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000323856673 354541964 /nfs/dbraw/zinc/54/19/64/354541964.db2.gz ZRVYDSCSVYXLPM-LRDDRELGSA-N 2 2 318.377 1.594 20 5 DDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000589504376 354997822 /nfs/dbraw/zinc/99/78/22/354997822.db2.gz SDQKWBGNRMVKAF-STQMWFEESA-N 2 2 305.334 1.033 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734048 355374061 /nfs/dbraw/zinc/37/40/61/355374061.db2.gz YOUWVZCMHGXUGN-JSGCOSHPSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734048 355374065 /nfs/dbraw/zinc/37/40/65/355374065.db2.gz YOUWVZCMHGXUGN-JSGCOSHPSA-N 2 2 309.366 1.018 20 5 DDBDLP COc1cc(C[NH2+]CCc2c[nH+]cn2C)c([N+](=O)[O-])cc1O ZINC000598917671 357757813 /nfs/dbraw/zinc/75/78/13/357757813.db2.gz FUEFXTCLKFVOAL-UHFFFAOYSA-N 2 2 306.322 1.375 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602771580 359178954 /nfs/dbraw/zinc/17/89/54/359178954.db2.gz FLFZTIUSGSAYHZ-CYBMUJFWSA-N 2 2 304.354 1.633 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602771580 359178957 /nfs/dbraw/zinc/17/89/57/359178957.db2.gz FLFZTIUSGSAYHZ-CYBMUJFWSA-N 2 2 304.354 1.633 20 5 DDBDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000266181893 205164771 /nfs/dbraw/zinc/16/47/71/205164771.db2.gz SLSYDUJBMFOTSX-LBPRGKRZSA-N 2 2 320.393 1.996 20 5 DDBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000013694383 406866661 /nfs/dbraw/zinc/86/66/61/406866661.db2.gz JUNBJUFFHAJXSC-UHFFFAOYSA-N 2 2 301.350 1.651 20 5 DDBDLP C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262554801 407864952 /nfs/dbraw/zinc/86/49/52/407864952.db2.gz TWNBTKQQZQVJQZ-GWCFXTLKSA-N 2 2 306.366 1.110 20 5 DDBDLP C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262554801 407864959 /nfs/dbraw/zinc/86/49/59/407864959.db2.gz TWNBTKQQZQVJQZ-GWCFXTLKSA-N 2 2 306.366 1.110 20 5 DDBDLP Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000163231659 408769644 /nfs/dbraw/zinc/76/96/44/408769644.db2.gz GLUQWPOHNJBONT-CYBMUJFWSA-N 2 2 320.393 1.328 20 5 DDBDLP Cc1nn(C)c(NCC[NH+]2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000301507463 410733404 /nfs/dbraw/zinc/73/34/04/410733404.db2.gz BZBSYANQOWVCFY-UHFFFAOYSA-N 2 2 310.402 1.075 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035523 418571185 /nfs/dbraw/zinc/57/11/85/418571185.db2.gz NWHVANVFSOLSMD-LBPRGKRZSA-N 2 2 305.382 1.570 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035523 418571186 /nfs/dbraw/zinc/57/11/86/418571186.db2.gz NWHVANVFSOLSMD-LBPRGKRZSA-N 2 2 305.382 1.570 20 5 DDBDLP C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1n1cc[nH+]c1 ZINC000371324962 418779810 /nfs/dbraw/zinc/77/98/10/418779810.db2.gz BLOWXHVWFZAVOA-RYUDHWBXSA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1n1cc[nH+]c1 ZINC000371324962 418779813 /nfs/dbraw/zinc/77/98/13/418779813.db2.gz BLOWXHVWFZAVOA-RYUDHWBXSA-N 2 2 304.354 1.608 20 5 DDBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)o2)c1 ZINC000415095711 419940993 /nfs/dbraw/zinc/94/09/93/419940993.db2.gz NTDHKMWCJDVLEJ-OAHLLOKOSA-N 2 2 317.345 1.933 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420372209 420243507 /nfs/dbraw/zinc/24/35/07/420243507.db2.gz QBHAIWNDZHDBMG-KNHMANMVSA-N 2 2 320.393 1.818 20 5 DDBDLP C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420397032 420262198 /nfs/dbraw/zinc/26/21/98/420262198.db2.gz FXASONVOJHFQDO-QWHCGFSZSA-N 2 2 320.393 1.474 20 5 DDBDLP C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420397032 420262202 /nfs/dbraw/zinc/26/22/02/420262202.db2.gz FXASONVOJHFQDO-QWHCGFSZSA-N 2 2 320.393 1.474 20 5 DDBDLP CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616671 420266449 /nfs/dbraw/zinc/26/64/49/420266449.db2.gz UEVHEXDSFPHGDM-CYBMUJFWSA-N 2 2 320.393 1.997 20 5 DDBDLP CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616671 420266453 /nfs/dbraw/zinc/26/64/53/420266453.db2.gz UEVHEXDSFPHGDM-CYBMUJFWSA-N 2 2 320.393 1.997 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765076 420711540 /nfs/dbraw/zinc/71/15/40/420711540.db2.gz IVBCOTSUQSJOCM-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765076 420711543 /nfs/dbraw/zinc/71/15/43/420711543.db2.gz IVBCOTSUQSJOCM-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278851866 277103443 /nfs/dbraw/zinc/10/34/43/277103443.db2.gz VPMDHOSDTOTRMH-WBVHZDCISA-N 2 2 318.421 1.808 20 5 DDBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278851866 277103445 /nfs/dbraw/zinc/10/34/45/277103445.db2.gz VPMDHOSDTOTRMH-WBVHZDCISA-N 2 2 318.421 1.808 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866786 706519653 /nfs/dbraw/zinc/51/96/53/706519653.db2.gz XDYCIBUPOHDUAF-HOTGVXAUSA-N 2 2 323.393 1.017 20 5 DDBDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000878866786 706519654 /nfs/dbraw/zinc/51/96/54/706519654.db2.gz XDYCIBUPOHDUAF-HOTGVXAUSA-N 2 2 323.393 1.017 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC001168736779 748474502 /nfs/dbraw/zinc/47/45/02/748474502.db2.gz KIWDHCKAVVXFBP-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc3cccnc3c([N+](=O)[O-])c2)CC1 ZINC001168737210 748503966 /nfs/dbraw/zinc/50/39/66/748503966.db2.gz QQGLJYCWQLURKE-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169075345 762223939 /nfs/dbraw/zinc/22/39/39/762223939.db2.gz QSSZUIQNXBDQPH-LLVKDONJSA-N 2 2 313.317 1.191 20 5 DDBDLP COc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001155057588 760410510 /nfs/dbraw/zinc/41/05/10/760410510.db2.gz KSTSSFBTRSRKBM-UHFFFAOYSA-N 2 2 303.322 1.651 20 5 DDBDLP O=[N+]([O-])c1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001155052954 861683016 /nfs/dbraw/zinc/68/30/16/861683016.db2.gz ISQPEEOLUHPLRQ-UHFFFAOYSA-N 2 2 318.293 1.551 20 5 DDBDLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246416812 892612703 /nfs/dbraw/zinc/61/27/03/892612703.db2.gz MGHXBVQNHIRTDF-FZMZJTMJSA-N 2 2 309.366 1.396 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000287096373 219309944 /nfs/dbraw/zinc/30/99/44/219309944.db2.gz PUHUPJQZHLMTSS-NEPJUHHUSA-N 2 2 308.382 1.852 20 5 DDBDLP CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000316619992 354504542 /nfs/dbraw/zinc/50/45/42/354504542.db2.gz AUZMHBSPORRILS-GXFFZTMASA-N 2 2 306.366 1.253 20 5 DDBDLP CC[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000316619992 354504545 /nfs/dbraw/zinc/50/45/45/354504545.db2.gz AUZMHBSPORRILS-GXFFZTMASA-N 2 2 306.366 1.253 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000600724829 358296885 /nfs/dbraw/zinc/29/68/85/358296885.db2.gz IITNUTNBIJGGJC-GXSJLCMTSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000600724829 358296888 /nfs/dbraw/zinc/29/68/88/358296888.db2.gz IITNUTNBIJGGJC-GXSJLCMTSA-N 2 2 321.303 1.250 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000602776970 359183378 /nfs/dbraw/zinc/18/33/78/359183378.db2.gz CERHXKIZLYUCLQ-UHFFFAOYSA-N 2 2 304.354 1.702 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000602796360 359197207 /nfs/dbraw/zinc/19/72/07/359197207.db2.gz XYGKEKWNTWIWQV-LBPRGKRZSA-N 2 2 304.354 1.702 20 5 DDBDLP COc1ccc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359271167 299388819 /nfs/dbraw/zinc/38/88/19/299388819.db2.gz GBSBOVFEJOHBQC-RYUDHWBXSA-N 2 2 307.350 1.133 20 5 DDBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000567363539 304215124 /nfs/dbraw/zinc/21/51/24/304215124.db2.gz KLSQPGHYGGLTLK-UHFFFAOYSA-N 2 2 317.349 1.519 20 5 DDBDLP C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000120202023 195118773 /nfs/dbraw/zinc/11/87/73/195118773.db2.gz XHRZIOTYENHYSJ-OCCSQVGLSA-N 2 2 304.354 1.571 20 5 DDBDLP C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000120202023 195118775 /nfs/dbraw/zinc/11/87/75/195118775.db2.gz XHRZIOTYENHYSJ-OCCSQVGLSA-N 2 2 304.354 1.571 20 5 DDBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000071150943 406833259 /nfs/dbraw/zinc/83/32/59/406833259.db2.gz WNCDDRAIVFIEIC-UHFFFAOYSA-N 2 2 312.801 1.585 20 5 DDBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000071150943 406833262 /nfs/dbraw/zinc/83/32/62/406833262.db2.gz WNCDDRAIVFIEIC-UHFFFAOYSA-N 2 2 312.801 1.585 20 5 DDBDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077220999 406980353 /nfs/dbraw/zinc/98/03/53/406980353.db2.gz VPWLBKRRMKXQCP-UHFFFAOYSA-N 2 2 320.393 1.237 20 5 DDBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123191653 407322494 /nfs/dbraw/zinc/32/24/94/407322494.db2.gz LUXHWLWXCDWBQL-RISCZKNCSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123191653 407322495 /nfs/dbraw/zinc/32/24/95/407322495.db2.gz LUXHWLWXCDWBQL-RISCZKNCSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+]1C ZINC000123191653 407322497 /nfs/dbraw/zinc/32/24/97/407322497.db2.gz LUXHWLWXCDWBQL-RISCZKNCSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+]1C ZINC000123191653 407322499 /nfs/dbraw/zinc/32/24/99/407322499.db2.gz LUXHWLWXCDWBQL-RISCZKNCSA-N 2 2 320.393 1.608 20 5 DDBDLP C[NH2+]C[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237191322 407802247 /nfs/dbraw/zinc/80/22/47/407802247.db2.gz GWTQXMKGUBLYLW-NSHDSACASA-N 2 2 317.349 1.366 20 5 DDBDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262449758 407837200 /nfs/dbraw/zinc/83/72/00/407837200.db2.gz HPKBLULUTHLCCV-NEPJUHHUSA-N 2 2 306.366 1.450 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262449758 407837206 /nfs/dbraw/zinc/83/72/06/407837206.db2.gz HPKBLULUTHLCCV-NEPJUHHUSA-N 2 2 306.366 1.450 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357070002 409838039 /nfs/dbraw/zinc/83/80/39/409838039.db2.gz ILQNCFMCROUELN-STQMWFEESA-N 2 2 321.377 1.524 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357070002 409838049 /nfs/dbraw/zinc/83/80/49/409838049.db2.gz ILQNCFMCROUELN-STQMWFEESA-N 2 2 321.377 1.524 20 5 DDBDLP COc1cc(C[NH2+][C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414948635 419887229 /nfs/dbraw/zinc/88/72/29/419887229.db2.gz XXTFVNIALDRTJJ-QMMMGPOBSA-N 2 2 319.308 1.684 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430565167 420140228 /nfs/dbraw/zinc/14/02/28/420140228.db2.gz OMNPPKAIXPRBSU-STQMWFEESA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430565167 420140233 /nfs/dbraw/zinc/14/02/33/420140233.db2.gz OMNPPKAIXPRBSU-STQMWFEESA-N 2 2 320.393 1.901 20 5 DDBDLP CC1(C)C[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580173 420086905 /nfs/dbraw/zinc/08/69/05/420086905.db2.gz XHTIRRHKOZJKPL-IUODEOHRSA-N 2 2 305.378 1.895 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430925378 420208069 /nfs/dbraw/zinc/20/80/69/420208069.db2.gz KXBSXVNKJFWYJG-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430925378 420208074 /nfs/dbraw/zinc/20/80/74/420208074.db2.gz KXBSXVNKJFWYJG-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430578813 420145261 /nfs/dbraw/zinc/14/52/61/420145261.db2.gz FRQPCJCWWKIWLQ-QWHCGFSZSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430578813 420145264 /nfs/dbraw/zinc/14/52/64/420145264.db2.gz FRQPCJCWWKIWLQ-QWHCGFSZSA-N 2 2 320.393 1.901 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968238 420228218 /nfs/dbraw/zinc/22/82/18/420228218.db2.gz WGKHPBMPFYKHBO-GYSYKLTISA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968238 420228222 /nfs/dbraw/zinc/22/82/22/420228222.db2.gz WGKHPBMPFYKHBO-GYSYKLTISA-N 2 2 306.366 1.591 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420377084 420247441 /nfs/dbraw/zinc/24/74/41/420247441.db2.gz KPRMGLODOSQQII-YPMHNXCESA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420377084 420247444 /nfs/dbraw/zinc/24/74/44/420247444.db2.gz KPRMGLODOSQQII-YPMHNXCESA-N 2 2 320.393 1.758 20 5 DDBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000423989984 420295044 /nfs/dbraw/zinc/29/50/44/420295044.db2.gz YYBVIIDKJAFRQC-JQWIXIFHSA-N 2 2 315.333 1.200 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759115 420710213 /nfs/dbraw/zinc/71/02/13/420710213.db2.gz KGJMNTNXFKZLLW-WOPDTQHZSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759115 420710216 /nfs/dbraw/zinc/71/02/16/420710216.db2.gz KGJMNTNXFKZLLW-WOPDTQHZSA-N 2 2 306.366 1.591 20 5 DDBDLP CC[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525900 279033245 /nfs/dbraw/zinc/03/32/45/279033245.db2.gz LXQJSOKPHORXSM-OAHLLOKOSA-N 2 2 317.393 1.959 20 5 DDBDLP CC[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525900 279033249 /nfs/dbraw/zinc/03/32/49/279033249.db2.gz LXQJSOKPHORXSM-OAHLLOKOSA-N 2 2 317.393 1.959 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577506 706725010 /nfs/dbraw/zinc/72/50/10/706725010.db2.gz JRKSOZRIZFNERO-VNQPRFMTSA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577506 706725012 /nfs/dbraw/zinc/72/50/12/706725012.db2.gz JRKSOZRIZFNERO-VNQPRFMTSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577506 706725014 /nfs/dbraw/zinc/72/50/14/706725014.db2.gz JRKSOZRIZFNERO-VNQPRFMTSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577506 706725016 /nfs/dbraw/zinc/72/50/16/706725016.db2.gz JRKSOZRIZFNERO-VNQPRFMTSA-N 2 2 305.378 1.654 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000923428764 714353290 /nfs/dbraw/zinc/35/32/90/714353290.db2.gz QYNFWHRMOKHZJD-CABCVRRESA-N 2 2 305.378 1.893 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)nc2c1 ZINC000923517980 714387101 /nfs/dbraw/zinc/38/71/01/714387101.db2.gz HZFJFNNEGXVZAF-WDEREUQCSA-N 2 2 302.334 1.777 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)nc2c1 ZINC000923517980 714387104 /nfs/dbraw/zinc/38/71/04/714387104.db2.gz HZFJFNNEGXVZAF-WDEREUQCSA-N 2 2 302.334 1.777 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172897660 776914094 /nfs/dbraw/zinc/91/40/94/776914094.db2.gz CBCKYDDUNANFFP-ZBFHGGJFSA-N 2 2 305.378 1.502 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172897660 776914098 /nfs/dbraw/zinc/91/40/98/776914098.db2.gz CBCKYDDUNANFFP-ZBFHGGJFSA-N 2 2 305.378 1.502 20 5 DDBDLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553536 870043618 /nfs/dbraw/zinc/04/36/18/870043618.db2.gz XUEVENUQZRSYCN-RBSFLKMASA-N 2 2 307.394 1.947 20 5 DDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338719795 870131249 /nfs/dbraw/zinc/13/12/49/870131249.db2.gz JXJJLLDNMIHZAG-KBPBESRZSA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338719795 870131257 /nfs/dbraw/zinc/13/12/57/870131257.db2.gz JXJJLLDNMIHZAG-KBPBESRZSA-N 2 2 323.393 1.408 20 5 DDBDLP C[NH+]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000615990692 362512242 /nfs/dbraw/zinc/51/22/42/362512242.db2.gz VSRQYDCMPWPBIT-UHFFFAOYSA-N 2 2 320.393 1.179 20 5 DDBDLP C[NH2+]C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596654360 356943166 /nfs/dbraw/zinc/94/31/66/356943166.db2.gz JSRRNFNREMKFPZ-BXUZGUMPSA-N 2 2 303.366 1.615 20 5 DDBDLP Cn1cc[nH+]c1[C@H](N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000596648193 356940953 /nfs/dbraw/zinc/94/09/53/356940953.db2.gz KYPBVWDIZDZRCC-GXTWGEPZSA-N 2 2 301.350 1.369 20 5 DDBDLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000597014781 357041069 /nfs/dbraw/zinc/04/10/69/357041069.db2.gz RYFJYUWLQMFDJU-LBPRGKRZSA-N 2 2 316.365 1.718 20 5 DDBDLP Cc1[nH+]cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000597014781 357041074 /nfs/dbraw/zinc/04/10/74/357041074.db2.gz RYFJYUWLQMFDJU-LBPRGKRZSA-N 2 2 316.365 1.718 20 5 DDBDLP C[C@@H](N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000423457885 533538243 /nfs/dbraw/zinc/53/82/43/533538243.db2.gz GHIXHQJDIRQJIG-WDMOLILDSA-N 2 2 303.366 1.743 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000159754537 408429096 /nfs/dbraw/zinc/42/90/96/408429096.db2.gz QVHYLVVJKWBQHQ-UHFFFAOYSA-N 2 2 320.393 1.317 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098422 409872369 /nfs/dbraw/zinc/87/23/69/409872369.db2.gz BGCBEDMASDXYOH-AAEUAGOBSA-N 2 2 321.377 1.653 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098422 409872378 /nfs/dbraw/zinc/87/23/78/409872378.db2.gz BGCBEDMASDXYOH-AAEUAGOBSA-N 2 2 321.377 1.653 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854867 410291883 /nfs/dbraw/zinc/29/18/83/410291883.db2.gz SADPEAIPIWQGCL-PWSUYJOCSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854867 410291885 /nfs/dbraw/zinc/29/18/85/410291885.db2.gz SADPEAIPIWQGCL-PWSUYJOCSA-N 2 2 317.349 1.814 20 5 DDBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649777 418889200 /nfs/dbraw/zinc/88/92/00/418889200.db2.gz PKJXJYSQFHYCOI-GFCCVEGCSA-N 2 2 304.354 1.404 20 5 DDBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649777 418889203 /nfs/dbraw/zinc/88/92/03/418889203.db2.gz PKJXJYSQFHYCOI-GFCCVEGCSA-N 2 2 304.354 1.404 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597215 420150271 /nfs/dbraw/zinc/15/02/71/420150271.db2.gz QCILIPQIUMDNQH-QWHCGFSZSA-N 2 2 320.393 1.617 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597215 420150276 /nfs/dbraw/zinc/15/02/76/420150276.db2.gz QCILIPQIUMDNQH-QWHCGFSZSA-N 2 2 320.393 1.617 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420359169 420234144 /nfs/dbraw/zinc/23/41/44/420234144.db2.gz GCYQJHFHGYJVFI-CYBMUJFWSA-N 2 2 320.393 1.819 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395178 421007642 /nfs/dbraw/zinc/00/76/42/421007642.db2.gz IIPXGKGMECUDPS-GOEBONIOSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395178 421007645 /nfs/dbraw/zinc/00/76/45/421007645.db2.gz IIPXGKGMECUDPS-GOEBONIOSA-N 2 2 321.421 1.962 20 5 DDBDLP CC[N@H+](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000574032658 422050761 /nfs/dbraw/zinc/05/07/61/422050761.db2.gz NJURMMVPKCIXHV-UHFFFAOYSA-N 2 2 320.393 1.997 20 5 DDBDLP CC[N@@H+](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000574032658 422050763 /nfs/dbraw/zinc/05/07/63/422050763.db2.gz NJURMMVPKCIXHV-UHFFFAOYSA-N 2 2 320.393 1.997 20 5 DDBDLP COCC[NH2+]C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000578075920 422491579 /nfs/dbraw/zinc/49/15/79/422491579.db2.gz QQTBQFYGSZZIRT-UHFFFAOYSA-N 2 2 323.393 1.674 20 5 DDBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278849947 277102144 /nfs/dbraw/zinc/10/21/44/277102144.db2.gz VPMDHOSDTOTRMH-RDJZCZTQSA-N 2 2 318.421 1.808 20 5 DDBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278849947 277102146 /nfs/dbraw/zinc/10/21/46/277102146.db2.gz VPMDHOSDTOTRMH-RDJZCZTQSA-N 2 2 318.421 1.808 20 5 DDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629460 279036924 /nfs/dbraw/zinc/03/69/24/279036924.db2.gz FAGUJVBMSMTZCX-XJKSGUPXSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629460 279036925 /nfs/dbraw/zinc/03/69/25/279036925.db2.gz FAGUJVBMSMTZCX-XJKSGUPXSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629460 279036926 /nfs/dbraw/zinc/03/69/26/279036926.db2.gz FAGUJVBMSMTZCX-XJKSGUPXSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629460 279036927 /nfs/dbraw/zinc/03/69/27/279036927.db2.gz FAGUJVBMSMTZCX-XJKSGUPXSA-N 2 2 307.394 1.902 20 5 DDBDLP C[C@@]1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000261892652 289164647 /nfs/dbraw/zinc/16/46/47/289164647.db2.gz UGXWMYRFKRVXKC-MRXNPFEDSA-N 2 2 304.394 1.716 20 5 DDBDLP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571285 706722113 /nfs/dbraw/zinc/72/21/13/706722113.db2.gz OSLBIFPAFTZLEK-UONOGXRCSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571285 706722114 /nfs/dbraw/zinc/72/21/14/706722114.db2.gz OSLBIFPAFTZLEK-UONOGXRCSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571285 706722115 /nfs/dbraw/zinc/72/21/15/706722115.db2.gz OSLBIFPAFTZLEK-UONOGXRCSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571285 706722116 /nfs/dbraw/zinc/72/21/16/706722116.db2.gz OSLBIFPAFTZLEK-UONOGXRCSA-N 2 2 305.378 2.000 20 5 DDBDLP CCN1CC[NH+](Cc2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000905048990 711920337 /nfs/dbraw/zinc/92/03/37/711920337.db2.gz NEIZVBHQNXDHTG-UHFFFAOYSA-N 2 2 306.410 1.190 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923409766 714346444 /nfs/dbraw/zinc/34/64/44/714346444.db2.gz SYKIIGBJUKDSCI-HRCADAONSA-N 2 2 305.378 1.560 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923409766 714346447 /nfs/dbraw/zinc/34/64/47/714346447.db2.gz SYKIIGBJUKDSCI-HRCADAONSA-N 2 2 305.378 1.560 20 5 DDBDLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218967 777050547 /nfs/dbraw/zinc/05/05/47/777050547.db2.gz UWMGNGCIVXCVAW-SWLSCSKDSA-N 2 2 323.393 1.786 20 5 DDBDLP C[C@@H]1C[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000090551639 185303017 /nfs/dbraw/zinc/30/30/17/185303017.db2.gz NNRGUYRPHWFPJU-CHWSQXEVSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@@H]1C[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000090551639 185303018 /nfs/dbraw/zinc/30/30/18/185303018.db2.gz NNRGUYRPHWFPJU-CHWSQXEVSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[NH+]1C ZINC000090551639 185303019 /nfs/dbraw/zinc/30/30/19/185303019.db2.gz NNRGUYRPHWFPJU-CHWSQXEVSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[NH+]1C ZINC000090551639 185303020 /nfs/dbraw/zinc/30/30/20/185303020.db2.gz NNRGUYRPHWFPJU-CHWSQXEVSA-N 2 2 308.382 1.171 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@]3(CC[NH2+]C3)C1)OCCO2 ZINC000592432665 355582033 /nfs/dbraw/zinc/58/20/33/355582033.db2.gz KOYLXJISYKRYTL-INIZCTEOSA-N 2 2 319.361 1.551 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@]3(CC[NH2+]C3)C1)OCCO2 ZINC000592432665 355582037 /nfs/dbraw/zinc/58/20/37/355582037.db2.gz KOYLXJISYKRYTL-INIZCTEOSA-N 2 2 319.361 1.551 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000597989843 357407370 /nfs/dbraw/zinc/40/73/70/357407370.db2.gz KEVDEAWPSRFICB-UHFFFAOYSA-N 2 2 314.411 1.270 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000597989843 357407372 /nfs/dbraw/zinc/40/73/72/357407372.db2.gz KEVDEAWPSRFICB-UHFFFAOYSA-N 2 2 314.411 1.270 20 5 DDBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000600713721 358291955 /nfs/dbraw/zinc/29/19/55/358291955.db2.gz KYPBVWDIZDZRCC-TZMCWYRMSA-N 2 2 301.350 1.369 20 5 DDBDLP C[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601113555 358407785 /nfs/dbraw/zinc/40/77/85/358407785.db2.gz IDHABUDQEPOIBG-GFCCVEGCSA-N 2 2 316.361 1.698 20 5 DDBDLP C[C@@H]1COCC[N@H+]1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601113555 358407787 /nfs/dbraw/zinc/40/77/87/358407787.db2.gz IDHABUDQEPOIBG-GFCCVEGCSA-N 2 2 316.361 1.698 20 5 DDBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000288255505 220045991 /nfs/dbraw/zinc/04/59/91/220045991.db2.gz GJAAQQUTONIQRR-UHFFFAOYSA-N 2 2 307.398 1.615 20 5 DDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847711 207014674 /nfs/dbraw/zinc/01/46/74/207014674.db2.gz BQBWEFGGCYOTGC-DZGCQCFKSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847711 207014679 /nfs/dbraw/zinc/01/46/79/207014679.db2.gz BQBWEFGGCYOTGC-DZGCQCFKSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261871356 407651545 /nfs/dbraw/zinc/65/15/45/407651545.db2.gz SZWBJNFPADOTIQ-OAHLLOKOSA-N 2 2 306.366 1.512 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261871356 407651550 /nfs/dbraw/zinc/65/15/50/407651550.db2.gz SZWBJNFPADOTIQ-OAHLLOKOSA-N 2 2 306.366 1.512 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000262532243 407859288 /nfs/dbraw/zinc/85/92/88/407859288.db2.gz PTVRZKOMQPPTIN-AWEZNQCLSA-N 2 2 308.357 1.213 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856777 410294704 /nfs/dbraw/zinc/29/47/04/410294704.db2.gz WFYKWZVJQYHVRZ-NEPJUHHUSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856777 410294708 /nfs/dbraw/zinc/29/47/08/410294708.db2.gz WFYKWZVJQYHVRZ-NEPJUHHUSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351858609 410295663 /nfs/dbraw/zinc/29/56/63/410295663.db2.gz BDDYDUFPIKHDRH-SRVKXCTJSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351858609 410295666 /nfs/dbraw/zinc/29/56/66/410295666.db2.gz BDDYDUFPIKHDRH-SRVKXCTJSA-N 2 2 306.366 1.591 20 5 DDBDLP CCC[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414868322 419849735 /nfs/dbraw/zinc/84/97/35/419849735.db2.gz JWSPOIPMMQFUTQ-LBPRGKRZSA-N 2 2 308.382 1.901 20 5 DDBDLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420324823 420210954 /nfs/dbraw/zinc/21/09/54/420210954.db2.gz BCNVERRSGCYPSH-WFASDCNBSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420324823 420210958 /nfs/dbraw/zinc/21/09/58/420210958.db2.gz BCNVERRSGCYPSH-WFASDCNBSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430571021 420143395 /nfs/dbraw/zinc/14/33/95/420143395.db2.gz NHGWQEBYURTDLU-RWMBFGLXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430571021 420143401 /nfs/dbraw/zinc/14/34/01/420143401.db2.gz NHGWQEBYURTDLU-RWMBFGLXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124555 420249365 /nfs/dbraw/zinc/24/93/65/420249365.db2.gz DFUFHWRUKBKWQV-DOMZBBRYSA-N 2 2 307.394 1.829 20 5 DDBDLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420337419 420218003 /nfs/dbraw/zinc/21/80/03/420218003.db2.gz MBPFRTVIVSWWRA-UHFFFAOYSA-N 2 2 310.354 1.083 20 5 DDBDLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420337419 420218006 /nfs/dbraw/zinc/21/80/06/420218006.db2.gz MBPFRTVIVSWWRA-UHFFFAOYSA-N 2 2 310.354 1.083 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449398920 421007353 /nfs/dbraw/zinc/00/73/53/421007353.db2.gz WYNKDZYNDPHJBG-ZBFHGGJFSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449398920 421007357 /nfs/dbraw/zinc/00/73/57/421007357.db2.gz WYNKDZYNDPHJBG-ZBFHGGJFSA-N 2 2 321.421 1.962 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000574982698 422227203 /nfs/dbraw/zinc/22/72/03/422227203.db2.gz HVIOKZCMDZKOCE-CQSZACIVSA-N 2 2 309.366 1.148 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000574982698 422227207 /nfs/dbraw/zinc/22/72/07/422227207.db2.gz HVIOKZCMDZKOCE-CQSZACIVSA-N 2 2 309.366 1.148 20 5 DDBDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522048 277116930 /nfs/dbraw/zinc/11/69/30/277116930.db2.gz RENADVVNARJTTA-XJKSGUPXSA-N 2 2 318.421 1.810 20 5 DDBDLP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000368688239 301075231 /nfs/dbraw/zinc/07/52/31/301075231.db2.gz NQIQNYIGILDBSQ-LLVKDONJSA-N 2 2 302.334 1.974 20 5 DDBDLP COc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000368688239 301075234 /nfs/dbraw/zinc/07/52/34/301075234.db2.gz NQIQNYIGILDBSQ-LLVKDONJSA-N 2 2 302.334 1.974 20 5 DDBDLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000359479100 306955758 /nfs/dbraw/zinc/95/57/58/306955758.db2.gz XRCOXJZFKHCCIY-RYUDHWBXSA-N 2 2 307.350 1.263 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819244431 704094181 /nfs/dbraw/zinc/09/41/81/704094181.db2.gz KGODXMUJGXFXQW-GXTWGEPZSA-N 2 2 302.334 1.429 20 5 DDBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877036256 705967626 /nfs/dbraw/zinc/96/76/26/705967626.db2.gz DWPOEEFGVPVBHN-MOKVOYLWSA-N 2 2 307.398 1.959 20 5 DDBDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877036256 705967628 /nfs/dbraw/zinc/96/76/28/705967628.db2.gz DWPOEEFGVPVBHN-MOKVOYLWSA-N 2 2 307.398 1.959 20 5 DDBDLP Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000873251848 707786000 /nfs/dbraw/zinc/78/60/00/707786000.db2.gz LVJODEQCTFBPRN-HZPDHXFCSA-N 2 2 305.378 1.760 20 5 DDBDLP C[N@@H+]1C[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933743278 714660788 /nfs/dbraw/zinc/66/07/88/714660788.db2.gz MPUKIXQHTMNQBD-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[N@H+]1C[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933743278 714660790 /nfs/dbraw/zinc/66/07/90/714660790.db2.gz MPUKIXQHTMNQBD-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933743278 714660793 /nfs/dbraw/zinc/66/07/93/714660793.db2.gz MPUKIXQHTMNQBD-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933743278 714660796 /nfs/dbraw/zinc/66/07/96/714660796.db2.gz MPUKIXQHTMNQBD-CJNGLKHVSA-N 2 2 305.378 1.857 20 5 DDBDLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132079653 768609699 /nfs/dbraw/zinc/60/96/99/768609699.db2.gz GVIBRCQEVOIFAH-UHFFFAOYSA-N 2 2 323.378 1.149 20 5 DDBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC001158259283 864521985 /nfs/dbraw/zinc/52/19/85/864521985.db2.gz PPAUNEGQTALYNC-LLVKDONJSA-N 2 2 309.345 1.131 20 5 DDBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC001158259283 864521993 /nfs/dbraw/zinc/52/19/93/864521993.db2.gz PPAUNEGQTALYNC-LLVKDONJSA-N 2 2 309.345 1.131 20 5 DDBDLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473839 355592579 /nfs/dbraw/zinc/59/25/79/355592579.db2.gz QKDLLDUOOQWQDM-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473839 355592580 /nfs/dbraw/zinc/59/25/80/355592580.db2.gz QKDLLDUOOQWQDM-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592488715 355596908 /nfs/dbraw/zinc/59/69/08/355596908.db2.gz MIUAYSLRHHNYAV-JMSVASOKSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592488715 355596913 /nfs/dbraw/zinc/59/69/13/355596913.db2.gz MIUAYSLRHHNYAV-JMSVASOKSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489414 355598378 /nfs/dbraw/zinc/59/83/78/355598378.db2.gz VDPGKZJUSSPGBV-JHJVBQTASA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489414 355598380 /nfs/dbraw/zinc/59/83/80/355598380.db2.gz VDPGKZJUSSPGBV-JHJVBQTASA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428713 355580230 /nfs/dbraw/zinc/58/02/30/355580230.db2.gz PVQMLCOXXJCMIP-GHMZBOCLSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428713 355580233 /nfs/dbraw/zinc/58/02/33/355580233.db2.gz PVQMLCOXXJCMIP-GHMZBOCLSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427567 355580677 /nfs/dbraw/zinc/58/06/77/355580677.db2.gz CGVIWRPZCDFZAN-NEPJUHHUSA-N 2 2 321.377 1.925 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427567 355580681 /nfs/dbraw/zinc/58/06/81/355580681.db2.gz CGVIWRPZCDFZAN-NEPJUHHUSA-N 2 2 321.377 1.925 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527909 359027331 /nfs/dbraw/zinc/02/73/31/359027331.db2.gz JOSSDVORAAVEQD-AWEZNQCLSA-N 2 2 319.409 1.642 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527909 359027333 /nfs/dbraw/zinc/02/73/33/359027333.db2.gz JOSSDVORAAVEQD-AWEZNQCLSA-N 2 2 319.409 1.642 20 5 DDBDLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961860 207126794 /nfs/dbraw/zinc/12/67/94/207126794.db2.gz XKTLGIHFIJXNHL-HOTGVXAUSA-N 2 2 306.410 1.881 20 5 DDBDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268961860 207126799 /nfs/dbraw/zinc/12/67/99/207126799.db2.gz XKTLGIHFIJXNHL-HOTGVXAUSA-N 2 2 306.410 1.881 20 5 DDBDLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261748891 407601762 /nfs/dbraw/zinc/60/17/62/407601762.db2.gz LQLUOODQOUXLGC-LBPRGKRZSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261748891 407601767 /nfs/dbraw/zinc/60/17/67/407601767.db2.gz LQLUOODQOUXLGC-LBPRGKRZSA-N 2 2 306.366 1.607 20 5 DDBDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178068687 408769170 /nfs/dbraw/zinc/76/91/70/408769170.db2.gz JVZRSLXNAMRVDA-LBPRGKRZSA-N 2 2 306.366 1.019 20 5 DDBDLP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080318 408976052 /nfs/dbraw/zinc/97/60/52/408976052.db2.gz FOFQSUXVXIFLNR-CYBMUJFWSA-N 2 2 307.394 1.875 20 5 DDBDLP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080318 408976053 /nfs/dbraw/zinc/97/60/53/408976053.db2.gz FOFQSUXVXIFLNR-CYBMUJFWSA-N 2 2 307.394 1.875 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351865893 410305893 /nfs/dbraw/zinc/30/58/93/410305893.db2.gz POAKUUGHSFGIQQ-TUAOUCFPSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351865893 410305898 /nfs/dbraw/zinc/30/58/98/410305898.db2.gz POAKUUGHSFGIQQ-TUAOUCFPSA-N 2 2 306.366 1.591 20 5 DDBDLP COC[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414945942 419887393 /nfs/dbraw/zinc/88/73/93/419887393.db2.gz RORGJJMGLKWGMW-HQQUCIOCSA-N 2 2 305.378 1.966 20 5 DDBDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414966317 419896142 /nfs/dbraw/zinc/89/61/42/419896142.db2.gz WGYPETRXPBCSCA-NWDGAFQWSA-N 2 2 308.382 1.900 20 5 DDBDLP CC[C@@H]([NH3+])CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423467898 420056143 /nfs/dbraw/zinc/05/61/43/420056143.db2.gz OEIOEFPIGSIZQB-TZMCWYRMSA-N 2 2 303.366 1.745 20 5 DDBDLP C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000423653056 420114415 /nfs/dbraw/zinc/11/44/15/420114415.db2.gz YMPSBCRHFZMONJ-CMPLNLGQSA-N 2 2 315.333 1.342 20 5 DDBDLP C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000430592488 420151892 /nfs/dbraw/zinc/15/18/92/420151892.db2.gz MUQFLPPKLQXNIQ-UHFFFAOYSA-N 2 2 318.377 1.168 20 5 DDBDLP C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000430592488 420151898 /nfs/dbraw/zinc/15/18/98/420151898.db2.gz MUQFLPPKLQXNIQ-UHFFFAOYSA-N 2 2 318.377 1.168 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000531970542 303268293 /nfs/dbraw/zinc/26/82/93/303268293.db2.gz CRTUHCUNKJGXHM-ZFWWWQNUSA-N 2 2 306.410 1.800 20 5 DDBDLP COc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164206384 869010433 /nfs/dbraw/zinc/01/04/33/869010433.db2.gz OKRNTPXXSPAZMZ-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP CC[N+](C)(C)Cc1ccccc1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001164308743 869113031 /nfs/dbraw/zinc/11/30/31/869113031.db2.gz RAYVYHJBXZBCLR-HOCLYGCPSA-N 2 2 306.430 1.598 20 5 DDBDLP COc1cc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001165352558 869540065 /nfs/dbraw/zinc/54/00/65/869540065.db2.gz CARIEQUIVSJLJD-UHFFFAOYSA-N 2 2 303.322 1.181 20 5 DDBDLP COc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256085660 897278893 /nfs/dbraw/zinc/27/88/93/897278893.db2.gz RHXHWJIARJJADB-LBPRGKRZSA-N 2 2 320.393 1.605 20 5 DDBDLP COc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256085660 897278915 /nfs/dbraw/zinc/27/89/15/897278915.db2.gz RHXHWJIARJJADB-LBPRGKRZSA-N 2 2 320.393 1.605 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153667142 290649950 /nfs/dbraw/zinc/64/99/50/290649950.db2.gz SZUHGZYVQCRGRR-WCQYABFASA-N 2 2 311.382 1.567 20 5 DDBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000050954303 352574340 /nfs/dbraw/zinc/57/43/40/352574340.db2.gz WSEVZVHVWNSXJL-UHFFFAOYSA-N 2 2 319.409 1.960 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000592473924 355593921 /nfs/dbraw/zinc/59/39/21/355593921.db2.gz VJYOMGHNPMPSQJ-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000592473924 355593925 /nfs/dbraw/zinc/59/39/25/355593925.db2.gz VJYOMGHNPMPSQJ-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592486188 355596266 /nfs/dbraw/zinc/59/62/66/355596266.db2.gz YOUIANVAXQASEI-YWPYICTPSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592486188 355596268 /nfs/dbraw/zinc/59/62/68/355596268.db2.gz YOUIANVAXQASEI-YWPYICTPSA-N 2 2 320.393 1.981 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428509 355580090 /nfs/dbraw/zinc/58/00/90/355580090.db2.gz VEEYAUCFIILRQR-NSHDSACASA-N 2 2 307.350 1.407 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428509 355580091 /nfs/dbraw/zinc/58/00/91/355580091.db2.gz VEEYAUCFIILRQR-NSHDSACASA-N 2 2 307.350 1.407 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000595032293 356374375 /nfs/dbraw/zinc/37/43/75/356374375.db2.gz MCVGCLPUDOIYEC-NHYWBVRUSA-N 2 2 309.366 1.321 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000595032293 356374377 /nfs/dbraw/zinc/37/43/77/356374377.db2.gz MCVGCLPUDOIYEC-NHYWBVRUSA-N 2 2 309.366 1.321 20 5 DDBDLP CCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236847013 202035890 /nfs/dbraw/zinc/03/58/90/202035890.db2.gz RPMYDYPJKMADFS-UHFFFAOYSA-N 2 2 317.349 1.510 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596425842 356875409 /nfs/dbraw/zinc/87/54/09/356875409.db2.gz WRBCQGMWCFRVHX-UHFFFAOYSA-N 2 2 309.414 1.902 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000596425842 356875411 /nfs/dbraw/zinc/87/54/11/356875411.db2.gz WRBCQGMWCFRVHX-UHFFFAOYSA-N 2 2 309.414 1.902 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597237346 357105905 /nfs/dbraw/zinc/10/59/05/357105905.db2.gz YQOUVODOQYQXHR-KRWDZBQOSA-N 2 2 319.405 1.934 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597237346 357105909 /nfs/dbraw/zinc/10/59/09/357105909.db2.gz YQOUVODOQYQXHR-KRWDZBQOSA-N 2 2 319.405 1.934 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087876 357811202 /nfs/dbraw/zinc/81/12/02/357811202.db2.gz NBKUJHWAJQTXOG-IHRRRGAJSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087876 357811205 /nfs/dbraw/zinc/81/12/05/357811205.db2.gz NBKUJHWAJQTXOG-IHRRRGAJSA-N 2 2 307.398 1.959 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600717851 358293562 /nfs/dbraw/zinc/29/35/62/358293562.db2.gz CQWDLKWJOGUXDP-CQSZACIVSA-N 2 2 309.366 1.150 20 5 DDBDLP Cc1cc[nH+]cc1N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000340515918 251094067 /nfs/dbraw/zinc/09/40/67/251094067.db2.gz HEFLWVVFHUCITF-UHFFFAOYSA-N 2 2 316.365 1.317 20 5 DDBDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668339 409157899 /nfs/dbraw/zinc/15/78/99/409157899.db2.gz JPMLFWIXVHELFN-YPMHNXCESA-N 2 2 307.398 1.073 20 5 DDBDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668339 409157903 /nfs/dbraw/zinc/15/79/03/409157903.db2.gz JPMLFWIXVHELFN-YPMHNXCESA-N 2 2 307.398 1.073 20 5 DDBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415099369 419943846 /nfs/dbraw/zinc/94/38/46/419943846.db2.gz YAKPPEPNUHGGMQ-NSHDSACASA-N 2 2 317.292 1.274 20 5 DDBDLP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488443 420060288 /nfs/dbraw/zinc/06/02/88/420060288.db2.gz YYRCHESTAFPLAW-HZPDHXFCSA-N 2 2 306.410 1.929 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430571024 420142630 /nfs/dbraw/zinc/14/26/30/420142630.db2.gz NHGWQEBYURTDLU-XQQFMLRXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430571024 420142634 /nfs/dbraw/zinc/14/26/34/420142634.db2.gz NHGWQEBYURTDLU-XQQFMLRXSA-N 2 2 320.393 1.981 20 5 DDBDLP COc1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430555527 420137153 /nfs/dbraw/zinc/13/71/53/420137153.db2.gz SHONKUOTZSAQMQ-HNNXBMFYSA-N 2 2 324.381 1.505 20 5 DDBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420305319 420194650 /nfs/dbraw/zinc/19/46/50/420194650.db2.gz YUJPMEOBIITRON-LBPRGKRZSA-N 2 2 306.366 1.737 20 5 DDBDLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420305319 420194655 /nfs/dbraw/zinc/19/46/55/420194655.db2.gz YUJPMEOBIITRON-LBPRGKRZSA-N 2 2 306.366 1.737 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430584930 420149321 /nfs/dbraw/zinc/14/93/21/420149321.db2.gz QIQBKOHAPUXGOK-HNNXBMFYSA-N 2 2 322.365 1.259 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658379 420172699 /nfs/dbraw/zinc/17/26/99/420172699.db2.gz XJMIWXHQHDOBRS-OLZOCXBDSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658379 420172703 /nfs/dbraw/zinc/17/27/03/420172703.db2.gz XJMIWXHQHDOBRS-OLZOCXBDSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420360441 420236335 /nfs/dbraw/zinc/23/63/35/420236335.db2.gz HDQOPAGQOPUWJY-LALPHHSUSA-N 2 2 320.393 1.818 20 5 DDBDLP COc1ccc(OCC[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420364684 420239593 /nfs/dbraw/zinc/23/95/93/420239593.db2.gz KLBYWHVIRVIXEP-HWWQOWPSSA-N 2 2 323.393 1.958 20 5 DDBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000563419476 421506066 /nfs/dbraw/zinc/50/60/66/421506066.db2.gz WQOABPKQSLKQTC-SWLSCSKDSA-N 2 2 305.378 1.628 20 5 DDBDLP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574176084 422070643 /nfs/dbraw/zinc/07/06/43/422070643.db2.gz OXCUFRSITIVMGZ-GFCCVEGCSA-N 2 2 321.381 1.318 20 5 DDBDLP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574176084 422070648 /nfs/dbraw/zinc/07/06/48/422070648.db2.gz OXCUFRSITIVMGZ-GFCCVEGCSA-N 2 2 321.381 1.318 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000370045973 301265309 /nfs/dbraw/zinc/26/53/09/301265309.db2.gz OYQAFRJLKFVDQA-GFCCVEGCSA-N 2 2 316.365 1.657 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000370045973 301265310 /nfs/dbraw/zinc/26/53/10/301265310.db2.gz OYQAFRJLKFVDQA-GFCCVEGCSA-N 2 2 316.365 1.657 20 5 DDBDLP Cc1nc(NCC[NH+]2CCC([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000297596282 534488048 /nfs/dbraw/zinc/48/80/48/534488048.db2.gz UNQQJAMJYWCWNH-UHFFFAOYSA-N 2 2 308.386 1.131 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000819244904 704094080 /nfs/dbraw/zinc/09/40/80/704094080.db2.gz PNMPPRZEINLNDW-JSGCOSHPSA-N 2 2 302.334 1.429 20 5 DDBDLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154147 711049761 /nfs/dbraw/zinc/04/97/61/711049761.db2.gz TVNDCMKFHJZYMU-NHYWBVRUSA-N 2 2 309.366 1.321 20 5 DDBDLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154147 711049764 /nfs/dbraw/zinc/04/97/64/711049764.db2.gz TVNDCMKFHJZYMU-NHYWBVRUSA-N 2 2 309.366 1.321 20 5 DDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177897 714279858 /nfs/dbraw/zinc/27/98/58/714279858.db2.gz GBXMZLOQTJFXNC-IUODEOHRSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177897 714279861 /nfs/dbraw/zinc/27/98/61/714279861.db2.gz GBXMZLOQTJFXNC-IUODEOHRSA-N 2 2 311.382 1.185 20 5 DDBDLP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737203 714659651 /nfs/dbraw/zinc/65/96/51/714659651.db2.gz LYMSKPTXQGSOJR-KBMXLJTQSA-N 2 2 305.378 1.512 20 5 DDBDLP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737203 714659655 /nfs/dbraw/zinc/65/96/55/714659655.db2.gz LYMSKPTXQGSOJR-KBMXLJTQSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737203 714659659 /nfs/dbraw/zinc/65/96/59/714659659.db2.gz LYMSKPTXQGSOJR-KBMXLJTQSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737203 714659662 /nfs/dbraw/zinc/65/96/62/714659662.db2.gz LYMSKPTXQGSOJR-KBMXLJTQSA-N 2 2 305.378 1.512 20 5 DDBDLP CC(=O)N1CCc2cc(NC(=[NH2+])SCC[NH3+])cc([N+](=O)[O-])c21 ZINC001167912630 734869489 /nfs/dbraw/zinc/86/94/89/734869489.db2.gz RAMOIHQJSKXHRR-UHFFFAOYSA-N 2 2 323.378 1.542 20 5 DDBDLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986905 762179365 /nfs/dbraw/zinc/17/93/65/762179365.db2.gz FZMZSYHIGDIGKU-QAETUUGQSA-N 2 2 318.421 1.233 20 5 DDBDLP [NH3+]C[C@]1(Nc2nccc(Cl)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160509106 865890516 /nfs/dbraw/zinc/89/05/16/865890516.db2.gz NMOKDACUEJLDGJ-ZDUSSCGKSA-N 2 2 311.773 1.478 20 5 DDBDLP [NH3+]C[C@@]1(Nc2cc(Cl)ncc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160511545 865895758 /nfs/dbraw/zinc/89/57/58/865895758.db2.gz OOBLVBCHZAUPRX-CYBMUJFWSA-N 2 2 311.773 1.478 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420295859 529990431 /nfs/dbraw/zinc/99/04/31/529990431.db2.gz WFQHSUDHXPGWIU-AWEZNQCLSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420295859 529990432 /nfs/dbraw/zinc/99/04/32/529990432.db2.gz WFQHSUDHXPGWIU-AWEZNQCLSA-N 2 2 306.366 1.607 20 5 DDBDLP O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594924365 356355590 /nfs/dbraw/zinc/35/55/90/356355590.db2.gz MRQWPQHGVZGUDM-UHFFFAOYSA-N 2 2 302.334 1.906 20 5 DDBDLP C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595990654 356738046 /nfs/dbraw/zinc/73/80/46/356738046.db2.gz AVRABSFKAAXYHL-HNNXBMFYSA-N 2 2 315.333 1.262 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000600724831 358297345 /nfs/dbraw/zinc/29/73/45/358297345.db2.gz IITNUTNBIJGGJC-MWLCHTKSSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000600724831 358297347 /nfs/dbraw/zinc/29/73/47/358297347.db2.gz IITNUTNBIJGGJC-MWLCHTKSSA-N 2 2 321.303 1.250 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000602675139 359119209 /nfs/dbraw/zinc/11/92/09/359119209.db2.gz RCZNWEDMPQSZRO-MRXNPFEDSA-N 2 2 307.394 1.574 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000602675139 359119214 /nfs/dbraw/zinc/11/92/14/359119214.db2.gz RCZNWEDMPQSZRO-MRXNPFEDSA-N 2 2 307.394 1.574 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802170 360351353 /nfs/dbraw/zinc/35/13/53/360351353.db2.gz BZFHBTDBOUNCKP-ZDUSSCGKSA-N 2 2 305.382 1.570 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802170 360351356 /nfs/dbraw/zinc/35/13/56/360351356.db2.gz BZFHBTDBOUNCKP-ZDUSSCGKSA-N 2 2 305.382 1.570 20 5 DDBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611170461 360643881 /nfs/dbraw/zinc/64/38/81/360643881.db2.gz MGOUAHDKYKVXRI-BETUJISGSA-N 2 2 314.345 1.901 20 5 DDBDLP O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611170461 360643890 /nfs/dbraw/zinc/64/38/90/360643890.db2.gz MGOUAHDKYKVXRI-BETUJISGSA-N 2 2 314.345 1.901 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351490742 284340309 /nfs/dbraw/zinc/34/03/09/284340309.db2.gz IYVLQRUCTZDQHG-BVIHXZOGSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351490742 284340310 /nfs/dbraw/zinc/34/03/10/284340310.db2.gz IYVLQRUCTZDQHG-BVIHXZOGSA-N 2 2 318.377 1.591 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647653 410056945 /nfs/dbraw/zinc/05/69/45/410056945.db2.gz BAFCOBNHKBBAFT-GHMZBOCLSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000346647653 410056951 /nfs/dbraw/zinc/05/69/51/410056951.db2.gz BAFCOBNHKBBAFT-GHMZBOCLSA-N 2 2 309.366 1.781 20 5 DDBDLP O=[N+]([O-])c1cccnc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000298042776 410089279 /nfs/dbraw/zinc/08/92/79/410089279.db2.gz HMPVUXKOKLROLS-UHFFFAOYSA-N 2 2 316.365 1.399 20 5 DDBDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411822291 419425141 /nfs/dbraw/zinc/42/51/41/419425141.db2.gz UXECQXBKCCHHLK-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430550793 420134551 /nfs/dbraw/zinc/13/45/51/420134551.db2.gz KXYJWNQQGHXANB-OAHLLOKOSA-N 2 2 306.366 1.559 20 5 DDBDLP C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000430974492 420230643 /nfs/dbraw/zinc/23/06/43/420230643.db2.gz ZZMFHEMVIZZMKC-RISCZKNCSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000430974492 420230647 /nfs/dbraw/zinc/23/06/47/420230647.db2.gz ZZMFHEMVIZZMKC-RISCZKNCSA-N 2 2 318.377 1.153 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420369986 420240097 /nfs/dbraw/zinc/24/00/97/420240097.db2.gz VPTGCEYBOGIPTI-CYBMUJFWSA-N 2 2 308.382 1.805 20 5 DDBDLP C[C@H](C[NH3+])N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179184674 279292247 /nfs/dbraw/zinc/29/22/47/279292247.db2.gz WQNYNSHWWRMJHN-SNVBAGLBSA-N 2 2 303.322 1.200 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423326295 303004238 /nfs/dbraw/zinc/00/42/38/303004238.db2.gz QWQZFMQKXZWXGB-HUUCEWRRSA-N 2 2 315.377 1.745 20 5 DDBDLP C[C@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]C1 ZINC000582845744 337205932 /nfs/dbraw/zinc/20/59/32/337205932.db2.gz JAHBRYFGXHJHDM-HNNXBMFYSA-N 2 2 305.382 1.111 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473026 710764635 /nfs/dbraw/zinc/76/46/35/710764635.db2.gz OPCMLNLHQFCBLC-MMMKDXCPSA-N 2 2 318.377 1.794 20 5 DDBDLP O=C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903865872 711308488 /nfs/dbraw/zinc/30/84/88/711308488.db2.gz SERBOQRECVYGJV-MRXNPFEDSA-N 2 2 318.377 1.751 20 5 DDBDLP O=C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903865872 711308491 /nfs/dbraw/zinc/30/84/91/711308491.db2.gz SERBOQRECVYGJV-MRXNPFEDSA-N 2 2 318.377 1.751 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931319158 714065688 /nfs/dbraw/zinc/06/56/88/714065688.db2.gz XEGMCOKIHKETRR-HUUCEWRRSA-N 2 2 307.398 1.373 20 5 DDBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000923382084 714335656 /nfs/dbraw/zinc/33/56/56/714335656.db2.gz QPTVWANHKJSIGH-CQSZACIVSA-N 2 2 321.377 1.162 20 5 DDBDLP Cc1ccnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158258770 864520758 /nfs/dbraw/zinc/52/07/58/864520758.db2.gz ITEVAGZXPNYONF-LBPRGKRZSA-N 2 2 305.382 1.300 20 5 DDBDLP Cc1ccnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158258770 864520761 /nfs/dbraw/zinc/52/07/61/864520761.db2.gz ITEVAGZXPNYONF-LBPRGKRZSA-N 2 2 305.382 1.300 20 5 DDBDLP C[NH2+]CCCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423200313 290655719 /nfs/dbraw/zinc/65/57/19/290655719.db2.gz LTTQQYFLUAEESY-AWEZNQCLSA-N 2 2 303.366 1.617 20 5 DDBDLP C[N@@H+]1CC[C@@](O)(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599064839 357805994 /nfs/dbraw/zinc/80/59/94/357805994.db2.gz FONYJIVDEMXNFT-OAHLLOKOSA-N 2 2 302.334 1.622 20 5 DDBDLP C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000602482358 359008469 /nfs/dbraw/zinc/00/84/69/359008469.db2.gz FNZOCNGWIYKYMU-DGCLKSJQSA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000602482358 359008473 /nfs/dbraw/zinc/00/84/73/359008473.db2.gz FNZOCNGWIYKYMU-DGCLKSJQSA-N 2 2 304.354 1.608 20 5 DDBDLP COc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877767 359261151 /nfs/dbraw/zinc/26/11/51/359261151.db2.gz PUXPZWRPNZQWQQ-INIZCTEOSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000602877767 359261152 /nfs/dbraw/zinc/26/11/52/359261152.db2.gz PUXPZWRPNZQWQQ-INIZCTEOSA-N 2 2 323.393 1.492 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351478010 284331641 /nfs/dbraw/zinc/33/16/41/284331641.db2.gz OIQCYLRTANVBEA-FDRIWYBQSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351478010 284331643 /nfs/dbraw/zinc/33/16/43/284331643.db2.gz OIQCYLRTANVBEA-FDRIWYBQSA-N 2 2 318.377 1.591 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261733944 407595368 /nfs/dbraw/zinc/59/53/68/407595368.db2.gz JVCVZSSLAJVDIR-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000261733944 407595376 /nfs/dbraw/zinc/59/53/76/407595376.db2.gz JVCVZSSLAJVDIR-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000261955750 407687830 /nfs/dbraw/zinc/68/78/30/407687830.db2.gz XCODFOJRLIKNIN-FRRDWIJNSA-N 2 2 318.377 1.593 20 5 DDBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000261955750 407687832 /nfs/dbraw/zinc/68/78/32/407687832.db2.gz XCODFOJRLIKNIN-FRRDWIJNSA-N 2 2 318.377 1.593 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357070000 409838232 /nfs/dbraw/zinc/83/82/32/409838232.db2.gz ILQNCFMCROUELN-OLZOCXBDSA-N 2 2 321.377 1.524 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357070000 409838239 /nfs/dbraw/zinc/83/82/39/409838239.db2.gz ILQNCFMCROUELN-OLZOCXBDSA-N 2 2 321.377 1.524 20 5 DDBDLP O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423009068 419978155 /nfs/dbraw/zinc/97/81/55/419978155.db2.gz BXYCWOZUNPSYJI-CVEARBPZSA-N 2 2 305.378 1.494 20 5 DDBDLP C[C@@H](C[NH3+])C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313204 420008496 /nfs/dbraw/zinc/00/84/96/420008496.db2.gz WJMJQOFMRIFMPD-SMDDNHRTSA-N 2 2 303.366 1.602 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917296 420205377 /nfs/dbraw/zinc/20/53/77/420205377.db2.gz JMJZLGDZPVYVJC-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430917296 420205380 /nfs/dbraw/zinc/20/53/80/420205380.db2.gz JMJZLGDZPVYVJC-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000423989983 420294477 /nfs/dbraw/zinc/29/44/77/420294477.db2.gz YYBVIIDKJAFRQC-CMPLNLGQSA-N 2 2 315.333 1.200 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777260 420713154 /nfs/dbraw/zinc/71/31/54/420713154.db2.gz IQKVSHOXINXLKA-QWRGUYRKSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777260 420713157 /nfs/dbraw/zinc/71/31/57/420713157.db2.gz IQKVSHOXINXLKA-QWRGUYRKSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000449138852 420958860 /nfs/dbraw/zinc/95/88/60/420958860.db2.gz JEMXUEFKZVUKRL-ZFWWWQNUSA-N 2 2 306.410 1.361 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000449138852 420958866 /nfs/dbraw/zinc/95/88/66/420958866.db2.gz JEMXUEFKZVUKRL-ZFWWWQNUSA-N 2 2 306.410 1.361 20 5 DDBDLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000581305271 421944325 /nfs/dbraw/zinc/94/43/25/421944325.db2.gz AZIQFOHCQNXVRL-LBPRGKRZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000581305271 421944328 /nfs/dbraw/zinc/94/43/28/421944328.db2.gz AZIQFOHCQNXVRL-LBPRGKRZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H]([NH3+])[C@H](C)N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472824 298992017 /nfs/dbraw/zinc/99/20/17/298992017.db2.gz QJMVVZYNQQDIGL-MJVIPROJSA-N 2 2 303.366 1.743 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154562217 354207808 /nfs/dbraw/zinc/20/78/08/354207808.db2.gz ZQUFNEUZKREUNJ-DOMZBBRYSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154562217 354207812 /nfs/dbraw/zinc/20/78/12/354207812.db2.gz ZQUFNEUZKREUNJ-DOMZBBRYSA-N 2 2 320.393 1.996 20 5 DDBDLP CC[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489395 355597854 /nfs/dbraw/zinc/59/78/54/355597854.db2.gz UEGFPVNQWWCYLF-SWLSCSKDSA-N 2 2 320.393 1.617 20 5 DDBDLP CC[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489395 355597858 /nfs/dbraw/zinc/59/78/58/355597858.db2.gz UEGFPVNQWWCYLF-SWLSCSKDSA-N 2 2 320.393 1.617 20 5 DDBDLP CC[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427702 355580005 /nfs/dbraw/zinc/58/00/05/355580005.db2.gz QPTDJXKCBYRWML-YPMHNXCESA-N 2 2 321.377 1.925 20 5 DDBDLP CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427702 355580006 /nfs/dbraw/zinc/58/00/06/355580006.db2.gz QPTDJXKCBYRWML-YPMHNXCESA-N 2 2 321.377 1.925 20 5 DDBDLP CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593903791 356050806 /nfs/dbraw/zinc/05/08/06/356050806.db2.gz NYDIHOMRPJPNSJ-HNNXBMFYSA-N 2 2 322.409 1.611 20 5 DDBDLP C[NH2+]C[C@H](C)N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596655015 356943385 /nfs/dbraw/zinc/94/33/85/356943385.db2.gz PKKJDMVYRKUIEP-FZMZJTMJSA-N 2 2 303.366 1.615 20 5 DDBDLP C[NH+](C)C[C@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059128 357805065 /nfs/dbraw/zinc/80/50/65/357805065.db2.gz MYDXRTOSSWBRJW-OAHLLOKOSA-N 2 2 304.350 1.868 20 5 DDBDLP C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[N@H+](C)CCO1 ZINC000601130820 358415585 /nfs/dbraw/zinc/41/55/85/358415585.db2.gz CHCBZVWZOUYXHE-BZNIZROVSA-N 2 2 316.361 1.696 20 5 DDBDLP C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000601130820 358415590 /nfs/dbraw/zinc/41/55/90/358415590.db2.gz CHCBZVWZOUYXHE-BZNIZROVSA-N 2 2 316.361 1.696 20 5 DDBDLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629455 284353173 /nfs/dbraw/zinc/35/31/73/284353173.db2.gz FAGUJVBMSMTZCX-CJNGLKHVSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629455 284353174 /nfs/dbraw/zinc/35/31/74/284353174.db2.gz FAGUJVBMSMTZCX-CJNGLKHVSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629455 284353175 /nfs/dbraw/zinc/35/31/75/284353175.db2.gz FAGUJVBMSMTZCX-CJNGLKHVSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629455 284353176 /nfs/dbraw/zinc/35/31/76/284353176.db2.gz FAGUJVBMSMTZCX-CJNGLKHVSA-N 2 2 307.394 1.902 20 5 DDBDLP COc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000352425657 285041584 /nfs/dbraw/zinc/04/15/84/285041584.db2.gz MLDOUFHIQNQLTO-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000352425657 285041587 /nfs/dbraw/zinc/04/15/87/285041587.db2.gz MLDOUFHIQNQLTO-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653927 410163730 /nfs/dbraw/zinc/16/37/30/410163730.db2.gz XXEFDNZOHBHCAG-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653927 410163736 /nfs/dbraw/zinc/16/37/36/410163736.db2.gz XXEFDNZOHBHCAG-UHFFFAOYSA-N 2 2 323.393 1.492 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856779 410294558 /nfs/dbraw/zinc/29/45/58/410294558.db2.gz WFYKWZVJQYHVRZ-RYUDHWBXSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856779 410294562 /nfs/dbraw/zinc/29/45/62/410294562.db2.gz WFYKWZVJQYHVRZ-RYUDHWBXSA-N 2 2 306.366 1.227 20 5 DDBDLP C[NH+](C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120558341 782021744 /nfs/dbraw/zinc/02/17/44/782021744.db2.gz GAVYHBRSHVWIGJ-HNNXBMFYSA-N 2 2 320.393 1.853 20 5 DDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517857 420068672 /nfs/dbraw/zinc/06/86/72/420068672.db2.gz OJFZKFMBVPZIDI-GDBMZVCRSA-N 2 2 304.394 1.465 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000420332055 420216077 /nfs/dbraw/zinc/21/60/77/420216077.db2.gz CMCNNLAVOOKITJ-RISCZKNCSA-N 2 2 304.350 1.217 20 5 DDBDLP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000420332055 420216078 /nfs/dbraw/zinc/21/60/78/420216078.db2.gz CMCNNLAVOOKITJ-RISCZKNCSA-N 2 2 304.350 1.217 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420356302 420233250 /nfs/dbraw/zinc/23/32/50/420233250.db2.gz GAHSIRANIGKCKG-GFCCVEGCSA-N 2 2 308.382 1.805 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000516570221 421552816 /nfs/dbraw/zinc/55/28/16/421552816.db2.gz PGELXIVMEAKMED-LBPRGKRZSA-N 2 2 311.407 1.844 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000516570221 421552817 /nfs/dbraw/zinc/55/28/17/421552817.db2.gz PGELXIVMEAKMED-LBPRGKRZSA-N 2 2 311.407 1.844 20 5 DDBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903698 422673049 /nfs/dbraw/zinc/67/30/49/422673049.db2.gz SRWYXPNYDZOJJZ-WCQYABFASA-N 2 2 318.377 1.296 20 5 DDBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903698 422673056 /nfs/dbraw/zinc/67/30/56/422673056.db2.gz SRWYXPNYDZOJJZ-WCQYABFASA-N 2 2 318.377 1.296 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279146 301155728 /nfs/dbraw/zinc/15/57/28/301155728.db2.gz VVTKLTZKVHROOT-NSHDSACASA-N 2 2 322.365 1.086 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279146 301155729 /nfs/dbraw/zinc/15/57/29/301155729.db2.gz VVTKLTZKVHROOT-NSHDSACASA-N 2 2 322.365 1.086 20 5 DDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000551574845 303633889 /nfs/dbraw/zinc/63/38/89/303633889.db2.gz SPRDKSHPPPKMED-CYBMUJFWSA-N 2 2 320.349 1.211 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367518653 307096293 /nfs/dbraw/zinc/09/62/93/307096293.db2.gz NNYVOGQRNITPNH-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367518653 307096294 /nfs/dbraw/zinc/09/62/94/307096294.db2.gz NNYVOGQRNITPNH-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1c(NC(=[NH2+])N2CC[NH+](C)CC2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168736467 748464789 /nfs/dbraw/zinc/46/47/89/748464789.db2.gz HKVMBZNAFGADQC-UHFFFAOYSA-N 2 2 322.325 1.405 20 5 DDBDLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169053538 762208221 /nfs/dbraw/zinc/20/82/21/762208221.db2.gz IKMCHHXCOISOHQ-KGLIPLIRSA-N 2 2 320.393 1.658 20 5 DDBDLP COc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001156181484 862787377 /nfs/dbraw/zinc/78/73/77/862787377.db2.gz CXISZOQVXIAKBR-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443217 868301487 /nfs/dbraw/zinc/30/14/87/868301487.db2.gz DQZUHENHIFOPGC-UONOGXRCSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443217 868301502 /nfs/dbraw/zinc/30/15/02/868301502.db2.gz DQZUHENHIFOPGC-UONOGXRCSA-N 2 2 323.393 1.266 20 5 DDBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997797 869251475 /nfs/dbraw/zinc/25/14/75/869251475.db2.gz MNKJEBAZDVZZEZ-HUUCEWRRSA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997797 869251486 /nfs/dbraw/zinc/25/14/86/869251486.db2.gz MNKJEBAZDVZZEZ-HUUCEWRRSA-N 2 2 323.393 1.408 20 5 DDBDLP Cn1c[nH+]cc1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000459494904 233246523 /nfs/dbraw/zinc/24/65/23/233246523.db2.gz CPPDXMURUDLUOU-UHFFFAOYSA-N 2 2 302.334 1.765 20 5 DDBDLP Cn1c[nH+]cc1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000459494904 233246526 /nfs/dbraw/zinc/24/65/26/233246526.db2.gz CPPDXMURUDLUOU-UHFFFAOYSA-N 2 2 302.334 1.765 20 5 DDBDLP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)C[NH3+] ZINC000592427926 355580405 /nfs/dbraw/zinc/58/04/05/355580405.db2.gz ZMOJGFSLWVIDRF-UHFFFAOYSA-N 2 2 309.366 1.783 20 5 DDBDLP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)C[NH3+] ZINC000592427926 355580407 /nfs/dbraw/zinc/58/04/07/355580407.db2.gz ZMOJGFSLWVIDRF-UHFFFAOYSA-N 2 2 309.366 1.783 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000595018591 356372877 /nfs/dbraw/zinc/37/28/77/356372877.db2.gz SPZVLFOCFVUDGY-GXTWGEPZSA-N 2 2 323.393 1.711 20 5 DDBDLP Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602488148 359012943 /nfs/dbraw/zinc/01/29/43/359012943.db2.gz SKAOFMDZLPETNX-RDBSUJKOSA-N 2 2 323.397 1.012 20 5 DDBDLP Cn1cc(C[N@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602488148 359012947 /nfs/dbraw/zinc/01/29/47/359012947.db2.gz SKAOFMDZLPETNX-RDBSUJKOSA-N 2 2 323.397 1.012 20 5 DDBDLP Cc1c([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000610805630 360541615 /nfs/dbraw/zinc/54/16/15/360541615.db2.gz LKNVKQLSDCNLQC-CYBMUJFWSA-N 2 2 320.393 1.328 20 5 DDBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350286199 284178080 /nfs/dbraw/zinc/17/80/80/284178080.db2.gz KLBHJZUTLYRPGC-GFCCVEGCSA-N 2 2 311.357 1.934 20 5 DDBDLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684223 209124865 /nfs/dbraw/zinc/12/48/65/209124865.db2.gz KLFMPZWVTAARAW-HNNXBMFYSA-N 2 2 304.350 1.847 20 5 DDBDLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684223 209124871 /nfs/dbraw/zinc/12/48/71/209124871.db2.gz KLFMPZWVTAARAW-HNNXBMFYSA-N 2 2 304.350 1.847 20 5 DDBDLP Cc1c(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000051763402 407142823 /nfs/dbraw/zinc/14/28/23/407142823.db2.gz NBAYJGFPYNIRMP-UHFFFAOYSA-N 2 2 320.393 1.109 20 5 DDBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000124402325 407357448 /nfs/dbraw/zinc/35/74/48/407357448.db2.gz OFYPGUZKQQIRSM-UHFFFAOYSA-N 2 2 317.349 1.412 20 5 DDBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000124402325 407357450 /nfs/dbraw/zinc/35/74/50/407357450.db2.gz OFYPGUZKQQIRSM-UHFFFAOYSA-N 2 2 317.349 1.412 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078623 409849886 /nfs/dbraw/zinc/84/98/86/409849886.db2.gz RKDNZEIVKUJFOW-JHJVBQTASA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078623 409849890 /nfs/dbraw/zinc/84/98/90/409849890.db2.gz RKDNZEIVKUJFOW-JHJVBQTASA-N 2 2 318.377 1.463 20 5 DDBDLP Cn1cc(C[N@@H+]2CCC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435373946 229378817 /nfs/dbraw/zinc/37/88/17/229378817.db2.gz OLZTZZLWWISHPQ-UHFFFAOYSA-N 2 2 315.377 1.791 20 5 DDBDLP Cn1cc(C[N@H+]2CCC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435373946 229378819 /nfs/dbraw/zinc/37/88/19/229378819.db2.gz OLZTZZLWWISHPQ-UHFFFAOYSA-N 2 2 315.377 1.791 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420355108 420231338 /nfs/dbraw/zinc/23/13/38/420231338.db2.gz BSLXVYMWJCNERN-CQSZACIVSA-N 2 2 320.393 1.819 20 5 DDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583019451 337225635 /nfs/dbraw/zinc/22/56/35/337225635.db2.gz DCPCEJRVYUOCJA-LBPRGKRZSA-N 2 2 317.349 1.798 20 5 DDBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420356842 490244247 /nfs/dbraw/zinc/24/42/47/490244247.db2.gz GUEBOKYFBGPJAE-CYBMUJFWSA-N 2 2 306.366 1.171 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C2)c1 ZINC000877024792 705963201 /nfs/dbraw/zinc/96/32/01/705963201.db2.gz OKRZWAGGPPPMIK-HSBZDZAISA-N 2 2 305.382 1.569 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C2)c1 ZINC000877024792 705963203 /nfs/dbraw/zinc/96/32/03/705963203.db2.gz OKRZWAGGPPPMIK-HSBZDZAISA-N 2 2 305.382 1.569 20 5 DDBDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443218 868302627 /nfs/dbraw/zinc/30/26/27/868302627.db2.gz DQZUHENHIFOPGC-ZIAGYGMSSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443218 868302637 /nfs/dbraw/zinc/30/26/37/868302637.db2.gz DQZUHENHIFOPGC-ZIAGYGMSSA-N 2 2 323.393 1.266 20 5 DDBDLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246153888 892448275 /nfs/dbraw/zinc/44/82/75/892448275.db2.gz UWMGNGCIVXCVAW-WFASDCNBSA-N 2 2 323.393 1.786 20 5 DDBDLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246153887 892448580 /nfs/dbraw/zinc/44/85/80/892448580.db2.gz UWMGNGCIVXCVAW-DOMZBBRYSA-N 2 2 323.393 1.786 20 5 DDBDLP O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000595886664 356692437 /nfs/dbraw/zinc/69/24/37/356692437.db2.gz XXCBFFJEUDUMQH-INIZCTEOSA-N 2 2 321.377 1.426 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596424717 356875307 /nfs/dbraw/zinc/87/53/07/356875307.db2.gz KPTIOZLEPSWBLF-UHFFFAOYSA-N 2 2 320.397 1.188 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596424717 356875309 /nfs/dbraw/zinc/87/53/09/356875309.db2.gz KPTIOZLEPSWBLF-UHFFFAOYSA-N 2 2 320.397 1.188 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000600750964 358307386 /nfs/dbraw/zinc/30/73/86/358307386.db2.gz YRNCVGAWVDZNEW-IYBDPMFKSA-N 2 2 305.378 1.905 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000600750964 358307388 /nfs/dbraw/zinc/30/73/88/358307388.db2.gz YRNCVGAWVDZNEW-IYBDPMFKSA-N 2 2 305.378 1.905 20 5 DDBDLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000602019557 358779278 /nfs/dbraw/zinc/77/92/78/358779278.db2.gz GOOLWLCOIGBJPK-ZYHUDNBSSA-N 2 2 309.366 1.639 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000602019557 358779280 /nfs/dbraw/zinc/77/92/80/358779280.db2.gz GOOLWLCOIGBJPK-ZYHUDNBSSA-N 2 2 309.366 1.639 20 5 DDBDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602652021 359101648 /nfs/dbraw/zinc/10/16/48/359101648.db2.gz CPAGZUREWZRRKR-LBPRGKRZSA-N 2 2 307.398 1.498 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)OCCO2 ZINC000611287846 360690214 /nfs/dbraw/zinc/69/02/14/360690214.db2.gz WRCRAOICROCEIV-VXGBXAGGSA-N 2 2 305.334 1.017 20 5 DDBDLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414130158 224302725 /nfs/dbraw/zinc/30/27/25/224302725.db2.gz WOOVTDOBDSNDOQ-UONOGXRCSA-N 2 2 318.381 1.841 20 5 DDBDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000424277301 533517817 /nfs/dbraw/zinc/51/78/17/533517817.db2.gz AAXFRCBKILDMJN-LERXQTSPSA-N 2 2 306.366 1.781 20 5 DDBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000107372363 407373967 /nfs/dbraw/zinc/37/39/67/407373967.db2.gz ATFXWJPTVAJSEM-CQSZACIVSA-N 2 2 324.450 1.868 20 5 DDBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000107372363 407373968 /nfs/dbraw/zinc/37/39/68/407373968.db2.gz ATFXWJPTVAJSEM-CQSZACIVSA-N 2 2 324.450 1.868 20 5 DDBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261798546 407619556 /nfs/dbraw/zinc/61/95/56/407619556.db2.gz UQRWDFNUOSXKNE-PBWFPOADSA-N 2 2 318.377 1.409 20 5 DDBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261798546 407619562 /nfs/dbraw/zinc/61/95/62/407619562.db2.gz UQRWDFNUOSXKNE-PBWFPOADSA-N 2 2 318.377 1.409 20 5 DDBDLP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000424299641 228256236 /nfs/dbraw/zinc/25/62/36/228256236.db2.gz FHFUKPAISGPNNG-ZIAGYGMSSA-N 2 2 306.366 1.417 20 5 DDBDLP Cn1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414845722 419836919 /nfs/dbraw/zinc/83/69/19/419836919.db2.gz MLFVGDCZMDYXKV-AWEZNQCLSA-N 2 2 315.377 1.837 20 5 DDBDLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429243976 419990993 /nfs/dbraw/zinc/99/09/93/419990993.db2.gz CUZBTUSNKFVHPE-UHFFFAOYSA-N 2 2 320.393 1.194 20 5 DDBDLP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000430954092 420222016 /nfs/dbraw/zinc/22/20/16/420222016.db2.gz IPBNPHHNOCVDET-KCPJHIHWSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000430954092 420222021 /nfs/dbraw/zinc/22/20/21/420222021.db2.gz IPBNPHHNOCVDET-KCPJHIHWSA-N 2 2 318.377 1.369 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420353607 420232377 /nfs/dbraw/zinc/23/23/77/420232377.db2.gz NKQWCAOKTOMTHX-RYUDHWBXSA-N 2 2 306.366 1.653 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420353607 420232381 /nfs/dbraw/zinc/23/23/81/420232381.db2.gz NKQWCAOKTOMTHX-RYUDHWBXSA-N 2 2 306.366 1.653 20 5 DDBDLP COc1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356377 420232951 /nfs/dbraw/zinc/23/29/51/420232951.db2.gz GIHVBPLRWJTJNT-CYBMUJFWSA-N 2 2 324.381 1.505 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442765163 420712186 /nfs/dbraw/zinc/71/21/86/420712186.db2.gz HBUUUYDIFZWWNT-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442765163 420712190 /nfs/dbraw/zinc/71/21/90/420712190.db2.gz HBUUUYDIFZWWNT-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467822 710762747 /nfs/dbraw/zinc/76/27/47/710762747.db2.gz QJEQEYMUXBEIBN-DZGBDDFRSA-N 2 2 318.377 1.794 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC001168736992 748488268 /nfs/dbraw/zinc/48/82/68/748488268.db2.gz NABCVERLRKUESV-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001169067366 762217982 /nfs/dbraw/zinc/21/79/82/762217982.db2.gz QXQFJVWGUZRPTB-LLVKDONJSA-N 2 2 313.317 1.191 20 5 DDBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001342898356 872427614 /nfs/dbraw/zinc/42/76/14/872427614.db2.gz QVUUNJXGKDNGHX-NSHDSACASA-N 2 2 321.377 1.883 20 5 DDBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001342898356 872427624 /nfs/dbraw/zinc/42/76/24/872427624.db2.gz QVUUNJXGKDNGHX-NSHDSACASA-N 2 2 321.377 1.883 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448161 355313847 /nfs/dbraw/zinc/31/38/47/355313847.db2.gz FFIKJEOEZQZMKX-OCCSQVGLSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448161 355313848 /nfs/dbraw/zinc/31/38/48/355313848.db2.gz FFIKJEOEZQZMKX-OCCSQVGLSA-N 2 2 318.377 1.607 20 5 DDBDLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592486138 355596102 /nfs/dbraw/zinc/59/61/02/355596102.db2.gz SLZRBMANGZMYBE-OCCSQVGLSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592486138 355596105 /nfs/dbraw/zinc/59/61/05/355596105.db2.gz SLZRBMANGZMYBE-OCCSQVGLSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489397 355597966 /nfs/dbraw/zinc/59/79/66/355597966.db2.gz UEGFPVNQWWCYLF-WFASDCNBSA-N 2 2 320.393 1.617 20 5 DDBDLP CC[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489397 355597970 /nfs/dbraw/zinc/59/79/70/355597970.db2.gz UEGFPVNQWWCYLF-WFASDCNBSA-N 2 2 320.393 1.617 20 5 DDBDLP CC[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427701 355580074 /nfs/dbraw/zinc/58/00/74/355580074.db2.gz QPTDJXKCBYRWML-WCQYABFASA-N 2 2 321.377 1.925 20 5 DDBDLP CC[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427701 355580076 /nfs/dbraw/zinc/58/00/76/355580076.db2.gz QPTDJXKCBYRWML-WCQYABFASA-N 2 2 321.377 1.925 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000599087541 357811304 /nfs/dbraw/zinc/81/13/04/357811304.db2.gz JTAYIUUERGNUGB-WFASDCNBSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000599087541 357811307 /nfs/dbraw/zinc/81/13/07/357811307.db2.gz JTAYIUUERGNUGB-WFASDCNBSA-N 2 2 320.393 1.996 20 5 DDBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903271 363789935 /nfs/dbraw/zinc/78/99/35/363789935.db2.gz OFXBHJBFVOMOGP-UHFFFAOYSA-N 2 2 305.313 1.779 20 5 DDBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000118841579 407955220 /nfs/dbraw/zinc/95/52/20/407955220.db2.gz RZPPKMJOWJODGK-LBPRGKRZSA-N 2 2 320.393 1.467 20 5 DDBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000118841579 407955227 /nfs/dbraw/zinc/95/52/27/407955227.db2.gz RZPPKMJOWJODGK-LBPRGKRZSA-N 2 2 320.393 1.467 20 5 DDBDLP C[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000118841579 407955231 /nfs/dbraw/zinc/95/52/31/407955231.db2.gz RZPPKMJOWJODGK-LBPRGKRZSA-N 2 2 320.393 1.467 20 5 DDBDLP C[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000118841579 407955238 /nfs/dbraw/zinc/95/52/38/407955238.db2.gz RZPPKMJOWJODGK-LBPRGKRZSA-N 2 2 320.393 1.467 20 5 DDBDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177118386 408525354 /nfs/dbraw/zinc/52/53/54/408525354.db2.gz FBGCTSUTLKXSDR-UHFFFAOYSA-N 2 2 320.393 1.351 20 5 DDBDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073889 408974558 /nfs/dbraw/zinc/97/45/58/408974558.db2.gz DVEUVNAISZXJPD-MRXNPFEDSA-N 2 2 318.377 1.221 20 5 DDBDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073889 408974559 /nfs/dbraw/zinc/97/45/59/408974559.db2.gz DVEUVNAISZXJPD-MRXNPFEDSA-N 2 2 318.377 1.221 20 5 DDBDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073889 408974561 /nfs/dbraw/zinc/97/45/61/408974561.db2.gz DVEUVNAISZXJPD-MRXNPFEDSA-N 2 2 318.377 1.221 20 5 DDBDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073889 408974562 /nfs/dbraw/zinc/97/45/62/408974562.db2.gz DVEUVNAISZXJPD-MRXNPFEDSA-N 2 2 318.377 1.221 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC000360571009 164150015 /nfs/dbraw/zinc/15/00/15/164150015.db2.gz SULCWLFDMOLEOG-HNNXBMFYSA-N 2 2 302.334 1.921 20 5 DDBDLP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)nc2c1 ZINC000360571009 164150016 /nfs/dbraw/zinc/15/00/16/164150016.db2.gz SULCWLFDMOLEOG-HNNXBMFYSA-N 2 2 302.334 1.921 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571447 418467067 /nfs/dbraw/zinc/46/70/67/418467067.db2.gz UULXMJRDEWEVHJ-MLGOLLRUSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571447 418467069 /nfs/dbraw/zinc/46/70/69/418467069.db2.gz UULXMJRDEWEVHJ-MLGOLLRUSA-N 2 2 318.377 1.607 20 5 DDBDLP Cn1cc(C[NH2+][C@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414867865 419851131 /nfs/dbraw/zinc/85/11/31/419851131.db2.gz OUXWAFUVHSNHOF-AWEZNQCLSA-N 2 2 315.377 1.837 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414959011 419893511 /nfs/dbraw/zinc/89/35/11/419893511.db2.gz WWBABLRCQODEJJ-PWSUYJOCSA-N 2 2 309.366 1.842 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415044607 419923763 /nfs/dbraw/zinc/92/37/63/419923763.db2.gz SJESNSYMXJFEAW-AWEZNQCLSA-N 2 2 309.366 1.462 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369125 420239909 /nfs/dbraw/zinc/23/99/09/420239909.db2.gz BRCSRGHAOQTKER-AGIUHOORSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369125 420239913 /nfs/dbraw/zinc/23/99/13/420239913.db2.gz BRCSRGHAOQTKER-AGIUHOORSA-N 2 2 320.393 1.839 20 5 DDBDLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420393215 420259560 /nfs/dbraw/zinc/25/95/60/420259560.db2.gz WXPOWAYNMFZROH-LBPRGKRZSA-N 2 2 308.382 1.772 20 5 DDBDLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420393215 420259569 /nfs/dbraw/zinc/25/95/69/420259569.db2.gz WXPOWAYNMFZROH-LBPRGKRZSA-N 2 2 308.382 1.772 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435610991 420266104 /nfs/dbraw/zinc/26/61/04/420266104.db2.gz OOUMEOKIWKLKBQ-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435610991 420266106 /nfs/dbraw/zinc/26/61/06/420266106.db2.gz OOUMEOKIWKLKBQ-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP COc1ccc(NC(=O)[C@H](C)[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342113181 271300668 /nfs/dbraw/zinc/30/06/68/271300668.db2.gz BIIRSXXFZKGGSS-JTQLQIEISA-N 2 2 322.365 1.401 20 5 DDBDLP C[NH2+]C[C@H](C)CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423273562 277282538 /nfs/dbraw/zinc/28/25/38/277282538.db2.gz LCSSKPMWICCROM-SWLSCSKDSA-N 2 2 317.393 1.863 20 5 DDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168848 308264210 /nfs/dbraw/zinc/26/42/10/308264210.db2.gz KUTFCXRCVTYYPU-IUODEOHRSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168848 308264212 /nfs/dbraw/zinc/26/42/12/308264212.db2.gz KUTFCXRCVTYYPU-IUODEOHRSA-N 2 2 311.382 1.185 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061709 702810803 /nfs/dbraw/zinc/81/08/03/702810803.db2.gz HKAGICAJLDDELP-HZPDHXFCSA-N 2 2 323.393 1.065 20 5 DDBDLP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571936 706722103 /nfs/dbraw/zinc/72/21/03/706722103.db2.gz USADZQFHIBHPLU-BBRMVZONSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571936 706722104 /nfs/dbraw/zinc/72/21/04/706722104.db2.gz USADZQFHIBHPLU-BBRMVZONSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571936 706722105 /nfs/dbraw/zinc/72/21/05/706722105.db2.gz USADZQFHIBHPLU-BBRMVZONSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571936 706722106 /nfs/dbraw/zinc/72/21/06/706722106.db2.gz USADZQFHIBHPLU-BBRMVZONSA-N 2 2 305.378 2.000 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000819058020 704062175 /nfs/dbraw/zinc/06/21/75/704062175.db2.gz CJAFEGUORVVTBZ-HNNXBMFYSA-N 2 2 304.350 1.895 20 5 DDBDLP Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000873251849 707786027 /nfs/dbraw/zinc/78/60/27/707786027.db2.gz LVJODEQCTFBPRN-JKSUJKDBSA-N 2 2 305.378 1.760 20 5 DDBDLP CCO[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000905581901 712085837 /nfs/dbraw/zinc/08/58/37/712085837.db2.gz ZPCMKYYWNGWQMR-GJZGRUSLSA-N 2 2 311.382 1.185 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001169074597 762222771 /nfs/dbraw/zinc/22/27/71/762222771.db2.gz TWCKJYVNOSNQTE-SNVBAGLBSA-N 2 2 313.317 1.191 20 5 DDBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001173229998 777063686 /nfs/dbraw/zinc/06/36/86/777063686.db2.gz WVBQIEYBWAZVKL-CYBMUJFWSA-N 2 2 307.394 1.572 20 5 DDBDLP COc1nc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165352099 869538629 /nfs/dbraw/zinc/53/86/29/869538629.db2.gz OKGXKTUYXKYCBU-UHFFFAOYSA-N 2 2 303.322 1.181 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857524 304020275 /nfs/dbraw/zinc/02/02/75/304020275.db2.gz UZJZFFIHFUNTII-QWHCGFSZSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857524 304020276 /nfs/dbraw/zinc/02/02/76/304020276.db2.gz UZJZFFIHFUNTII-QWHCGFSZSA-N 2 2 309.366 1.018 20 5 DDBDLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592486175 355596477 /nfs/dbraw/zinc/59/64/77/355596477.db2.gz XJUZOVCVKJFZHV-TZMCWYRMSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592486175 355596479 /nfs/dbraw/zinc/59/64/79/355596479.db2.gz XJUZOVCVKJFZHV-TZMCWYRMSA-N 2 2 320.393 1.901 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115796 358408563 /nfs/dbraw/zinc/40/85/63/358408563.db2.gz CGRJFHYSYGVUMG-LBPRGKRZSA-N 2 2 323.372 1.709 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115796 358408567 /nfs/dbraw/zinc/40/85/67/358408567.db2.gz CGRJFHYSYGVUMG-LBPRGKRZSA-N 2 2 323.372 1.709 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602478556 359005346 /nfs/dbraw/zinc/00/53/46/359005346.db2.gz ZIZILQLSPAVTEY-ZDUSSCGKSA-N 2 2 307.398 1.636 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602478556 359005348 /nfs/dbraw/zinc/00/53/48/359005348.db2.gz ZIZILQLSPAVTEY-ZDUSSCGKSA-N 2 2 307.398 1.636 20 5 DDBDLP Cc1c(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000602891430 359274406 /nfs/dbraw/zinc/27/44/06/359274406.db2.gz MWUGXIZFTGHHMH-INIZCTEOSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1c(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000602891430 359274410 /nfs/dbraw/zinc/27/44/10/359274410.db2.gz MWUGXIZFTGHHMH-INIZCTEOSA-N 2 2 307.394 1.792 20 5 DDBDLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000261717286 407589337 /nfs/dbraw/zinc/58/93/37/407589337.db2.gz HZCOUYUGOZBWLU-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000261717286 407589341 /nfs/dbraw/zinc/58/93/41/407589341.db2.gz HZCOUYUGOZBWLU-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078773 408975686 /nfs/dbraw/zinc/97/56/86/408975686.db2.gz FLJCKMZLTQYALI-JKSUJKDBSA-N 2 2 305.378 1.656 20 5 DDBDLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078773 408975689 /nfs/dbraw/zinc/97/56/89/408975689.db2.gz FLJCKMZLTQYALI-JKSUJKDBSA-N 2 2 305.378 1.656 20 5 DDBDLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078773 408975691 /nfs/dbraw/zinc/97/56/91/408975691.db2.gz FLJCKMZLTQYALI-JKSUJKDBSA-N 2 2 305.378 1.656 20 5 DDBDLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078773 408975693 /nfs/dbraw/zinc/97/56/93/408975693.db2.gz FLJCKMZLTQYALI-JKSUJKDBSA-N 2 2 305.378 1.656 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129574803 196058475 /nfs/dbraw/zinc/05/84/75/196058475.db2.gz BPRXYBZLLXHNCM-AWEZNQCLSA-N 2 2 305.378 1.749 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129574803 196058476 /nfs/dbraw/zinc/05/84/76/196058476.db2.gz BPRXYBZLLXHNCM-AWEZNQCLSA-N 2 2 305.378 1.749 20 5 DDBDLP Cc1c(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423071725 227336695 /nfs/dbraw/zinc/33/66/95/227336695.db2.gz ICDMGJUOXPJSFQ-CVEARBPZSA-N 2 2 305.378 1.760 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000423326822 227444052 /nfs/dbraw/zinc/44/40/52/227444052.db2.gz MKVGUBNLCYKGDC-AWEZNQCLSA-N 2 2 315.377 1.889 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866946 419850133 /nfs/dbraw/zinc/85/01/33/419850133.db2.gz NMYSGJYNAAXFHI-DGCLKSJQSA-N 2 2 306.366 1.654 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430565162 420141071 /nfs/dbraw/zinc/14/10/71/420141071.db2.gz OMNPPKAIXPRBSU-CHWSQXEVSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430565162 420141074 /nfs/dbraw/zinc/14/10/74/420141074.db2.gz OMNPPKAIXPRBSU-CHWSQXEVSA-N 2 2 320.393 1.901 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430633301 420164353 /nfs/dbraw/zinc/16/43/53/420164353.db2.gz ZRJDFWKFPNSUCL-NWDGAFQWSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430633301 420164354 /nfs/dbraw/zinc/16/43/54/420164354.db2.gz ZRJDFWKFPNSUCL-NWDGAFQWSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000420369703 420240607 /nfs/dbraw/zinc/24/06/07/420240607.db2.gz OKQWMVCZHKBAPI-OXJKWZBOSA-N 2 2 320.393 1.898 20 5 DDBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418844 421506683 /nfs/dbraw/zinc/50/66/83/421506683.db2.gz QINQVXDWMRYTBR-DOMZBBRYSA-N 2 2 304.394 1.418 20 5 DDBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418844 421506686 /nfs/dbraw/zinc/50/66/86/421506686.db2.gz QINQVXDWMRYTBR-DOMZBBRYSA-N 2 2 304.394 1.418 20 5 DDBDLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000580880965 421853357 /nfs/dbraw/zinc/85/33/57/421853357.db2.gz IPJOMTUQOKRROJ-LBPRGKRZSA-N 2 2 307.354 1.010 20 5 DDBDLP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000573675778 308248306 /nfs/dbraw/zinc/24/83/06/308248306.db2.gz FZXGMESVBOXVQR-HOTGVXAUSA-N 2 2 321.377 1.330 20 5 DDBDLP C[NH+](C)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000912593056 713041057 /nfs/dbraw/zinc/04/10/57/713041057.db2.gz VOJFHMXMEDDOSF-UHFFFAOYSA-N 2 2 318.333 1.889 20 5 DDBDLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986907 762179339 /nfs/dbraw/zinc/17/93/39/762179339.db2.gz FZMZSYHIGDIGKU-YVSFHVDLSA-N 2 2 318.421 1.233 20 5 DDBDLP C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001336739791 869118820 /nfs/dbraw/zinc/11/88/20/869118820.db2.gz QYDVVHICMAQXNM-WFASDCNBSA-N 2 2 304.350 1.751 20 5 DDBDLP C[NH+]1CCC(CO)([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596740 896520404 /nfs/dbraw/zinc/52/04/04/896520404.db2.gz FVJBFWZMDBNDHW-CQSZACIVSA-N 2 2 305.378 1.108 20 5 DDBDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000592184222 355527591 /nfs/dbraw/zinc/52/75/91/355527591.db2.gz HASHIWZKPDVZEE-UHFFFAOYSA-N 2 2 321.377 1.597 20 5 DDBDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000592184222 355527594 /nfs/dbraw/zinc/52/75/94/355527594.db2.gz HASHIWZKPDVZEE-UHFFFAOYSA-N 2 2 321.377 1.597 20 5 DDBDLP NC(=O)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592471219 355592692 /nfs/dbraw/zinc/59/26/92/355592692.db2.gz MPTIQQXJWTXISW-UHFFFAOYSA-N 2 2 318.377 1.410 20 5 DDBDLP NC(=O)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592471219 355592694 /nfs/dbraw/zinc/59/26/94/355592694.db2.gz MPTIQQXJWTXISW-UHFFFAOYSA-N 2 2 318.377 1.410 20 5 DDBDLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597989846 357407008 /nfs/dbraw/zinc/40/70/08/357407008.db2.gz KKYFHPGNUKGTRX-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597989846 357407014 /nfs/dbraw/zinc/40/70/14/357407014.db2.gz KKYFHPGNUKGTRX-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597990168 357408451 /nfs/dbraw/zinc/40/84/51/357408451.db2.gz PMVHXUSIJGWJJK-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000597990168 357408456 /nfs/dbraw/zinc/40/84/56/357408456.db2.gz PMVHXUSIJGWJJK-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087874 357811385 /nfs/dbraw/zinc/81/13/85/357811385.db2.gz NBKUJHWAJQTXOG-BFHYXJOUSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087874 357811388 /nfs/dbraw/zinc/81/13/88/357811388.db2.gz NBKUJHWAJQTXOG-BFHYXJOUSA-N 2 2 307.398 1.959 20 5 DDBDLP C[NH+]1CCC([NH+]2CCC(Nc3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000604520404 359760200 /nfs/dbraw/zinc/76/02/00/359760200.db2.gz XSIQTMXWBCKXTI-UHFFFAOYSA-N 2 2 319.409 1.960 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351479213 284331937 /nfs/dbraw/zinc/33/19/37/284331937.db2.gz QQARQOSUXSUHMY-YNEHKIRRSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351479213 284331939 /nfs/dbraw/zinc/33/19/39/284331939.db2.gz QQARQOSUXSUHMY-YNEHKIRRSA-N 2 2 318.377 1.511 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422733280 296503459 /nfs/dbraw/zinc/50/34/59/296503459.db2.gz AURLRQASOFLVHM-CVEARBPZSA-N 2 2 305.378 1.494 20 5 DDBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000261955752 407689861 /nfs/dbraw/zinc/68/98/61/407689861.db2.gz XCODFOJRLIKNIN-JHJVBQTASA-N 2 2 318.377 1.593 20 5 DDBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000261955752 407689868 /nfs/dbraw/zinc/68/98/68/407689868.db2.gz XCODFOJRLIKNIN-JHJVBQTASA-N 2 2 318.377 1.593 20 5 DDBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000266953172 407690611 /nfs/dbraw/zinc/69/06/11/407690611.db2.gz UXZBTVJOFDYGOH-UHFFFAOYSA-N 2 2 301.350 1.651 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078625 409852272 /nfs/dbraw/zinc/85/22/72/409852272.db2.gz RKDNZEIVKUJFOW-UPJWGTAASA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078625 409852277 /nfs/dbraw/zinc/85/22/77/409852277.db2.gz RKDNZEIVKUJFOW-UPJWGTAASA-N 2 2 318.377 1.463 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000173745589 418518292 /nfs/dbraw/zinc/51/82/92/418518292.db2.gz WAGIETBGVSCFNX-ZDUSSCGKSA-N 2 2 323.393 1.866 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000173745589 418518297 /nfs/dbraw/zinc/51/82/97/418518297.db2.gz WAGIETBGVSCFNX-ZDUSSCGKSA-N 2 2 323.393 1.866 20 5 DDBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)o1 ZINC000415095186 419939045 /nfs/dbraw/zinc/93/90/45/419939045.db2.gz LRVNQKZYXDLGFH-ZDUSSCGKSA-N 2 2 317.345 1.933 20 5 DDBDLP CC(C)[C@@H]([NH3+])CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423278874 420001727 /nfs/dbraw/zinc/00/17/27/420001727.db2.gz RGKNPHUZOHIROR-GJZGRUSLSA-N 2 2 317.393 1.991 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430580994 420145065 /nfs/dbraw/zinc/14/50/65/420145065.db2.gz NGAMPGSMZDDZED-LBPRGKRZSA-N 2 2 320.349 1.316 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430580994 420145068 /nfs/dbraw/zinc/14/50/68/420145068.db2.gz NGAMPGSMZDDZED-LBPRGKRZSA-N 2 2 320.349 1.316 20 5 DDBDLP C[NH2+]C[C@@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420214386 420153546 /nfs/dbraw/zinc/15/35/46/420153546.db2.gz VMBVHBGGSFUVDT-CYBMUJFWSA-N 2 2 322.409 1.694 20 5 DDBDLP [NH3+][C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430641257 420166477 /nfs/dbraw/zinc/16/64/77/420166477.db2.gz LSLMGTUTUJTYHN-LBPRGKRZSA-N 2 2 302.334 1.825 20 5 DDBDLP [NH3+][C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430641257 420166481 /nfs/dbraw/zinc/16/64/81/420166481.db2.gz LSLMGTUTUJTYHN-LBPRGKRZSA-N 2 2 302.334 1.825 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420363792 420237415 /nfs/dbraw/zinc/23/74/15/420237415.db2.gz JUBSTICJFLLSIG-MCYUEQNJSA-N 2 2 320.393 1.898 20 5 DDBDLP CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435626326 420267773 /nfs/dbraw/zinc/26/77/73/420267773.db2.gz KNHWYOIGSTYVGE-AWEZNQCLSA-N 2 2 320.393 1.658 20 5 DDBDLP CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435626326 420267776 /nfs/dbraw/zinc/26/77/76/420267776.db2.gz KNHWYOIGSTYVGE-AWEZNQCLSA-N 2 2 320.393 1.658 20 5 DDBDLP [NH3+]C1(C[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000342109304 271299329 /nfs/dbraw/zinc/29/93/29/271299329.db2.gz RFTCFWLYGXBMEJ-CYBMUJFWSA-N 2 2 304.350 1.171 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376558045 307247628 /nfs/dbraw/zinc/24/76/28/307247628.db2.gz MMXVJMOWRFCCLT-GFCCVEGCSA-N 2 2 303.322 1.377 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376558045 307247629 /nfs/dbraw/zinc/24/76/29/307247629.db2.gz MMXVJMOWRFCCLT-GFCCVEGCSA-N 2 2 303.322 1.377 20 5 DDBDLP O=C(NCC[NH+]1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000337572710 490736148 /nfs/dbraw/zinc/73/61/48/490736148.db2.gz DKVCTWZOKSVFEF-UHFFFAOYSA-N 2 2 315.333 1.216 20 5 DDBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000892946995 710530197 /nfs/dbraw/zinc/53/01/97/710530197.db2.gz WAVMPJARLWECHD-NSHDSACASA-N 2 2 309.366 1.740 20 5 DDBDLP COc1c(O)ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000892946995 710530198 /nfs/dbraw/zinc/53/01/98/710530198.db2.gz WAVMPJARLWECHD-NSHDSACASA-N 2 2 309.366 1.740 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC001181054034 743037508 /nfs/dbraw/zinc/03/75/08/743037508.db2.gz DWXVUIWBILJFLV-LLVKDONJSA-N 2 2 318.333 1.610 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)CC1 ZINC001168736485 748458618 /nfs/dbraw/zinc/45/86/18/748458618.db2.gz MSFXTPKBAKDQIW-UHFFFAOYSA-N 2 2 303.326 1.065 20 5 DDBDLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177405610 778582808 /nfs/dbraw/zinc/58/28/08/778582808.db2.gz PTTMEVJUQWBOGH-UHFFFAOYSA-N 2 2 317.349 1.087 20 5 DDBDLP COc1ncc([N+](=O)[O-])cc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164210301 869017851 /nfs/dbraw/zinc/01/78/51/869017851.db2.gz BGVAJZIUUJXZAW-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537950 896494089 /nfs/dbraw/zinc/49/40/89/896494089.db2.gz KODIAHCDIQIDPL-TZMCWYRMSA-N 2 2 323.393 1.786 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000090551934 185302891 /nfs/dbraw/zinc/30/28/91/185302891.db2.gz NNCKVEWYBWYETL-UHFFFAOYSA-N 2 2 317.349 1.290 20 5 DDBDLP O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC[NH+]1CCOCC1)CC2 ZINC000332494018 235033036 /nfs/dbraw/zinc/03/30/36/235033036.db2.gz YNXDJSSQENOOBN-UHFFFAOYSA-N 2 2 306.366 1.070 20 5 DDBDLP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC[NH+]1CCOCC1)CC2 ZINC000332494018 235033039 /nfs/dbraw/zinc/03/30/39/235033039.db2.gz YNXDJSSQENOOBN-UHFFFAOYSA-N 2 2 306.366 1.070 20 5 DDBDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279358 355276996 /nfs/dbraw/zinc/27/69/96/355276996.db2.gz MUIZNVXEDLUKHB-ZYHUDNBSSA-N 2 2 307.350 1.454 20 5 DDBDLP Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593905954 356051588 /nfs/dbraw/zinc/05/15/88/356051588.db2.gz PWCRJGQUKXMULP-DGCLKSJQSA-N 2 2 308.382 1.359 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000599065414 357806159 /nfs/dbraw/zinc/80/61/59/357806159.db2.gz JTAYIUUERGNUGB-SWLSCSKDSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000599065414 357806162 /nfs/dbraw/zinc/80/61/62/357806162.db2.gz JTAYIUUERGNUGB-SWLSCSKDSA-N 2 2 320.393 1.996 20 5 DDBDLP COc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000124278005 286311962 /nfs/dbraw/zinc/31/19/62/286311962.db2.gz GTALYHUFPZEWAB-ZDUSSCGKSA-N 2 2 323.393 1.804 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261674121 407574438 /nfs/dbraw/zinc/57/44/38/407574438.db2.gz JHVASLIZNCZIAG-XHDPSFHLSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261674121 407574448 /nfs/dbraw/zinc/57/44/48/407574448.db2.gz JHVASLIZNCZIAG-XHDPSFHLSA-N 2 2 306.366 1.593 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261793623 407615396 /nfs/dbraw/zinc/61/53/96/407615396.db2.gz QRBZSMKWMXQBFU-CYBMUJFWSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261793623 407615401 /nfs/dbraw/zinc/61/54/01/407615401.db2.gz QRBZSMKWMXQBFU-CYBMUJFWSA-N 2 2 306.366 1.607 20 5 DDBDLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000267193726 407784554 /nfs/dbraw/zinc/78/45/54/407784554.db2.gz MZJPRPGNXKKGNL-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346068456 409753942 /nfs/dbraw/zinc/75/39/42/409753942.db2.gz MCHUNNRLQBVXPI-GFCCVEGCSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346068456 409753947 /nfs/dbraw/zinc/75/39/47/409753947.db2.gz MCHUNNRLQBVXPI-GFCCVEGCSA-N 2 2 306.366 1.655 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357069004 409834988 /nfs/dbraw/zinc/83/49/88/409834988.db2.gz FASJPSDLOUNNQJ-FRRDWIJNSA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357069004 409834999 /nfs/dbraw/zinc/83/49/99/409834999.db2.gz FASJPSDLOUNNQJ-FRRDWIJNSA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863471 410300908 /nfs/dbraw/zinc/30/09/08/410300908.db2.gz UBBGRBRRDFTNMU-YWPYICTPSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863471 410300910 /nfs/dbraw/zinc/30/09/10/410300910.db2.gz UBBGRBRRDFTNMU-YWPYICTPSA-N 2 2 318.377 1.369 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251982 410419928 /nfs/dbraw/zinc/41/99/28/410419928.db2.gz NDFMMNRJFANMOT-LRDDRELGSA-N 2 2 323.393 1.711 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251982 410419936 /nfs/dbraw/zinc/41/99/36/410419936.db2.gz NDFMMNRJFANMOT-LRDDRELGSA-N 2 2 323.393 1.711 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430553503 420135190 /nfs/dbraw/zinc/13/51/90/420135190.db2.gz TWIYHPMRLNQDJJ-STQMWFEESA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430553503 420135195 /nfs/dbraw/zinc/13/51/95/420135195.db2.gz TWIYHPMRLNQDJJ-STQMWFEESA-N 2 2 320.393 1.901 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930976 420210617 /nfs/dbraw/zinc/21/06/17/420210617.db2.gz BUMSEVCOLCYLGO-VXGBXAGGSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930976 420210619 /nfs/dbraw/zinc/21/06/19/420210619.db2.gz BUMSEVCOLCYLGO-VXGBXAGGSA-N 2 2 306.366 1.463 20 5 DDBDLP C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000430960909 420223313 /nfs/dbraw/zinc/22/33/13/420223313.db2.gz AMWQVFKBKOPXOY-GXFFZTMASA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000430960909 420223316 /nfs/dbraw/zinc/22/33/16/420223316.db2.gz AMWQVFKBKOPXOY-GXFFZTMASA-N 2 2 317.349 1.814 20 5 DDBDLP COc1ccc(OCC[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000420364685 420237711 /nfs/dbraw/zinc/23/77/11/420237711.db2.gz KLBYWHVIRVIXEP-MQIPJXDCSA-N 2 2 323.393 1.958 20 5 DDBDLP CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435626327 420269365 /nfs/dbraw/zinc/26/93/65/420269365.db2.gz KNHWYOIGSTYVGE-CQSZACIVSA-N 2 2 320.393 1.658 20 5 DDBDLP CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435626327 420269369 /nfs/dbraw/zinc/26/93/69/420269369.db2.gz KNHWYOIGSTYVGE-CQSZACIVSA-N 2 2 320.393 1.658 20 5 DDBDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370045341 301265149 /nfs/dbraw/zinc/26/51/49/301265149.db2.gz KYXDZWRJKJQYTJ-UHFFFAOYSA-N 2 2 318.381 1.517 20 5 DDBDLP O=[N+]([O-])c1ccn(C2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000376479346 302082572 /nfs/dbraw/zinc/08/25/72/302082572.db2.gz SUAPWYIHINGXDQ-UHFFFAOYSA-N 2 2 304.354 1.715 20 5 DDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168847 308263953 /nfs/dbraw/zinc/26/39/53/308263953.db2.gz KUTFCXRCVTYYPU-DOMZBBRYSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168847 308263954 /nfs/dbraw/zinc/26/39/54/308263954.db2.gz KUTFCXRCVTYYPU-DOMZBBRYSA-N 2 2 311.382 1.185 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145247 337245782 /nfs/dbraw/zinc/24/57/82/337245782.db2.gz DYLGZBFCLWNSHB-SWLSCSKDSA-N 2 2 318.377 1.371 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000583145247 337245783 /nfs/dbraw/zinc/24/57/83/337245783.db2.gz DYLGZBFCLWNSHB-SWLSCSKDSA-N 2 2 318.377 1.371 20 5 DDBDLP Cc1nn(C)c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361680001 484522521 /nfs/dbraw/zinc/52/25/21/484522521.db2.gz ASONWBOSDWKQJU-GFCCVEGCSA-N 2 2 322.413 1.217 20 5 DDBDLP Cc1nn(C)c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361680001 484522524 /nfs/dbraw/zinc/52/25/24/484522524.db2.gz ASONWBOSDWKQJU-GFCCVEGCSA-N 2 2 322.413 1.217 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572791 706723025 /nfs/dbraw/zinc/72/30/25/706723025.db2.gz RIDSMFZWWURFQI-CZUORRHYSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572791 706723027 /nfs/dbraw/zinc/72/30/27/706723027.db2.gz RIDSMFZWWURFQI-CZUORRHYSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572791 706723030 /nfs/dbraw/zinc/72/30/30/706723030.db2.gz RIDSMFZWWURFQI-CZUORRHYSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572791 706723033 /nfs/dbraw/zinc/72/30/33/706723033.db2.gz RIDSMFZWWURFQI-CZUORRHYSA-N 2 2 305.378 2.000 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819244433 704094110 /nfs/dbraw/zinc/09/41/10/704094110.db2.gz KGODXMUJGXFXQW-JSGCOSHPSA-N 2 2 302.334 1.429 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000853798768 704317098 /nfs/dbraw/zinc/31/70/98/704317098.db2.gz KSVHCNJUECLRGZ-UHFFFAOYSA-N 2 2 320.397 1.538 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000853798768 704317101 /nfs/dbraw/zinc/31/71/01/704317101.db2.gz KSVHCNJUECLRGZ-UHFFFAOYSA-N 2 2 320.397 1.538 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])cc3cc[nH]c32)CC1 ZINC001168737485 748538838 /nfs/dbraw/zinc/53/88/38/748538838.db2.gz ZROHLDDLMNQABD-UHFFFAOYSA-N 2 2 302.338 1.670 20 5 DDBDLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217792 777050033 /nfs/dbraw/zinc/05/00/33/777050033.db2.gz MGHXBVQNHIRTDF-BXUZGUMPSA-N 2 2 309.366 1.396 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001157914887 864254928 /nfs/dbraw/zinc/25/49/28/864254928.db2.gz OBSHGKVZTMFMOT-UHFFFAOYSA-N 2 2 315.337 1.132 20 5 DDBDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443215 868301647 /nfs/dbraw/zinc/30/16/47/868301647.db2.gz DQZUHENHIFOPGC-KBPBESRZSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443215 868301658 /nfs/dbraw/zinc/30/16/58/868301658.db2.gz DQZUHENHIFOPGC-KBPBESRZSA-N 2 2 323.393 1.266 20 5 DDBDLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538500 896494470 /nfs/dbraw/zinc/49/44/70/896494470.db2.gz WFTADSCETGPCEY-WCQYABFASA-N 2 2 309.366 1.396 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000090550244 185302435 /nfs/dbraw/zinc/30/24/35/185302435.db2.gz IGPUKPJWPPTCRV-CQSZACIVSA-N 2 2 320.393 1.174 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000090550244 185302436 /nfs/dbraw/zinc/30/24/36/185302436.db2.gz IGPUKPJWPPTCRV-CQSZACIVSA-N 2 2 320.393 1.174 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591579971 355330411 /nfs/dbraw/zinc/33/04/11/355330411.db2.gz CANMMXMXMLDAPC-GVXVVHGQSA-N 2 2 324.356 1.602 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087877 357811328 /nfs/dbraw/zinc/81/13/28/357811328.db2.gz NBKUJHWAJQTXOG-MELADBBJSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087877 357811331 /nfs/dbraw/zinc/81/13/31/357811331.db2.gz NBKUJHWAJQTXOG-MELADBBJSA-N 2 2 307.398 1.959 20 5 DDBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000179046292 407701417 /nfs/dbraw/zinc/70/14/17/407701417.db2.gz CROLTVJTRPGPEZ-GFCCVEGCSA-N 2 2 315.333 1.214 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174876728 407999243 /nfs/dbraw/zinc/99/92/43/407999243.db2.gz OXGWNLUMFIWJFR-AWEZNQCLSA-N 2 2 307.398 1.599 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174876728 407999248 /nfs/dbraw/zinc/99/92/48/407999248.db2.gz OXGWNLUMFIWJFR-AWEZNQCLSA-N 2 2 307.398 1.599 20 5 DDBDLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604848 409758520 /nfs/dbraw/zinc/75/85/20/409758520.db2.gz FXKTZMKAVIHLED-CYBMUJFWSA-N 2 2 316.365 1.681 20 5 DDBDLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604848 409758533 /nfs/dbraw/zinc/75/85/33/409758533.db2.gz FXKTZMKAVIHLED-CYBMUJFWSA-N 2 2 316.365 1.681 20 5 DDBDLP C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374257142 418510775 /nfs/dbraw/zinc/51/07/75/418510775.db2.gz XZRGWZJBRIWOKU-ZDUSSCGKSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374257142 418510779 /nfs/dbraw/zinc/51/07/79/418510779.db2.gz XZRGWZJBRIWOKU-ZDUSSCGKSA-N 2 2 319.409 1.595 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423196832 227396557 /nfs/dbraw/zinc/39/65/57/227396557.db2.gz WMJYGMKBVKOEIQ-HIFRSBDPSA-N 2 2 315.377 1.759 20 5 DDBDLP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488441 420059415 /nfs/dbraw/zinc/05/94/15/420059415.db2.gz YYRCHESTAFPLAW-CVEARBPZSA-N 2 2 306.410 1.929 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420366981 420240334 /nfs/dbraw/zinc/24/03/34/420240334.db2.gz RSPOTDYPNVWOJG-CYBMUJFWSA-N 2 2 324.381 1.505 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755895 420708125 /nfs/dbraw/zinc/70/81/25/420708125.db2.gz JNCUANNMBPDUTE-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755895 420708127 /nfs/dbraw/zinc/70/81/27/420708127.db2.gz JNCUANNMBPDUTE-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940575 300183782 /nfs/dbraw/zinc/18/37/82/300183782.db2.gz GMQFHPVMTOFILI-QGZVFWFLSA-N 2 2 318.421 1.807 20 5 DDBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940575 300183785 /nfs/dbraw/zinc/18/37/85/300183785.db2.gz GMQFHPVMTOFILI-QGZVFWFLSA-N 2 2 318.421 1.807 20 5 DDBDLP C[C@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000843059196 702809925 /nfs/dbraw/zinc/80/99/25/702809925.db2.gz FUHVQWCSUCUDGH-INIZCTEOSA-N 2 2 304.394 1.716 20 5 DDBDLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876930607 705928781 /nfs/dbraw/zinc/92/87/81/705928781.db2.gz BSXFYODIMMBPHJ-HSBZDZAISA-N 2 2 307.398 1.959 20 5 DDBDLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876930607 705928784 /nfs/dbraw/zinc/92/87/84/705928784.db2.gz BSXFYODIMMBPHJ-HSBZDZAISA-N 2 2 307.398 1.959 20 5 DDBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903814619 711289195 /nfs/dbraw/zinc/28/91/95/711289195.db2.gz NXHGUMIVUIUQAP-UHFFFAOYSA-N 2 2 305.378 1.939 20 5 DDBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903814619 711289199 /nfs/dbraw/zinc/28/91/99/711289199.db2.gz NXHGUMIVUIUQAP-UHFFFAOYSA-N 2 2 305.378 1.939 20 5 DDBDLP CCO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000905581900 712085851 /nfs/dbraw/zinc/08/58/51/712085851.db2.gz ZPCMKYYWNGWQMR-CABCVRRESA-N 2 2 311.382 1.185 20 5 DDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000923397098 714341052 /nfs/dbraw/zinc/34/10/52/714341052.db2.gz ADOXCCQIDKJXNK-DZGCQCFKSA-N 2 2 321.377 1.209 20 5 DDBDLP Cc1c(C)c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158262337 864526870 /nfs/dbraw/zinc/52/68/70/864526870.db2.gz RQLXMBJDKWZMAX-CYBMUJFWSA-N 2 2 319.409 1.608 20 5 DDBDLP Cc1c(C)c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158262337 864526878 /nfs/dbraw/zinc/52/68/78/864526878.db2.gz RQLXMBJDKWZMAX-CYBMUJFWSA-N 2 2 319.409 1.608 20 5 DDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551752 185302676 /nfs/dbraw/zinc/30/26/76/185302676.db2.gz NJHWJFBSJJFHIV-ZDUSSCGKSA-N 2 2 308.382 1.030 20 5 DDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551752 185302677 /nfs/dbraw/zinc/30/26/77/185302677.db2.gz NJHWJFBSJJFHIV-ZDUSSCGKSA-N 2 2 308.382 1.030 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551752 185302678 /nfs/dbraw/zinc/30/26/78/185302678.db2.gz NJHWJFBSJJFHIV-ZDUSSCGKSA-N 2 2 308.382 1.030 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551752 185302679 /nfs/dbraw/zinc/30/26/79/185302679.db2.gz NJHWJFBSJJFHIV-ZDUSSCGKSA-N 2 2 308.382 1.030 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000173745605 198247801 /nfs/dbraw/zinc/24/78/01/198247801.db2.gz WAGIETBGVSCFNX-CYBMUJFWSA-N 2 2 323.393 1.866 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000173745605 198247802 /nfs/dbraw/zinc/24/78/02/198247802.db2.gz WAGIETBGVSCFNX-CYBMUJFWSA-N 2 2 323.393 1.866 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591577338 355330011 /nfs/dbraw/zinc/33/00/11/355330011.db2.gz SQZVQHDLNJMRPN-HNNXBMFYSA-N 2 2 315.377 1.759 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485270 355596033 /nfs/dbraw/zinc/59/60/33/355596033.db2.gz VRDVLXXTRHYSHA-NSHDSACASA-N 2 2 306.366 1.735 20 5 DDBDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000596652054 356942578 /nfs/dbraw/zinc/94/25/78/356942578.db2.gz FQBNJEKXMZKEQX-VIFPVBQESA-N 2 2 303.322 1.400 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597237347 357105836 /nfs/dbraw/zinc/10/58/36/357105836.db2.gz YQOUVODOQYQXHR-QGZVFWFLSA-N 2 2 319.405 1.934 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000597237347 357105840 /nfs/dbraw/zinc/10/58/40/357105840.db2.gz YQOUVODOQYQXHR-QGZVFWFLSA-N 2 2 319.405 1.934 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000597249943 357109413 /nfs/dbraw/zinc/10/94/13/357109413.db2.gz OMTGWPYKEPHOBJ-UHFFFAOYSA-N 2 2 315.377 1.959 20 5 DDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599010649 357793321 /nfs/dbraw/zinc/79/33/21/357793321.db2.gz UBESDLMWCICDCP-RCBBPTIPSA-N 2 2 305.378 1.654 20 5 DDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599010649 357793323 /nfs/dbraw/zinc/79/33/23/357793323.db2.gz UBESDLMWCICDCP-RCBBPTIPSA-N 2 2 305.378 1.654 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@H]4C3)c2c1 ZINC000601142459 358418366 /nfs/dbraw/zinc/41/83/66/358418366.db2.gz RSQXNDFCECBZKB-CYBMUJFWSA-N 2 2 314.345 1.664 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000601142459 358418368 /nfs/dbraw/zinc/41/83/68/358418368.db2.gz RSQXNDFCECBZKB-CYBMUJFWSA-N 2 2 314.345 1.664 20 5 DDBDLP C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000601150111 358422460 /nfs/dbraw/zinc/42/24/60/358422460.db2.gz WHPMIOILKLYEPC-LBPRGKRZSA-N 2 2 316.361 1.646 20 5 DDBDLP C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000601150111 358422464 /nfs/dbraw/zinc/42/24/64/358422464.db2.gz WHPMIOILKLYEPC-LBPRGKRZSA-N 2 2 316.361 1.646 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000602675561 359119667 /nfs/dbraw/zinc/11/96/67/359119667.db2.gz ULCKIYQEKUYOAC-INIZCTEOSA-N 2 2 307.394 1.574 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000602675561 359119669 /nfs/dbraw/zinc/11/96/69/359119669.db2.gz ULCKIYQEKUYOAC-INIZCTEOSA-N 2 2 307.394 1.574 20 5 DDBDLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963069 359326883 /nfs/dbraw/zinc/32/68/83/359326883.db2.gz SUXQZCXHFSPJPB-HOCLYGCPSA-N 2 2 307.394 1.876 20 5 DDBDLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963069 359326885 /nfs/dbraw/zinc/32/68/85/359326885.db2.gz SUXQZCXHFSPJPB-HOCLYGCPSA-N 2 2 307.394 1.876 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261950956 407687928 /nfs/dbraw/zinc/68/79/28/407687928.db2.gz MXZAAYRADVPSBV-LLVKDONJSA-N 2 2 306.366 1.125 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261950956 407687933 /nfs/dbraw/zinc/68/79/33/407687933.db2.gz MXZAAYRADVPSBV-LLVKDONJSA-N 2 2 306.366 1.125 20 5 DDBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000237874264 407847551 /nfs/dbraw/zinc/84/75/51/407847551.db2.gz FTOFATQDITUXNY-UHFFFAOYSA-N 2 2 315.333 1.216 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000357743460 410222780 /nfs/dbraw/zinc/22/27/80/410222780.db2.gz SSZOQCUUCGYANZ-UHFFFAOYSA-N 2 2 315.377 1.678 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420295860 420189621 /nfs/dbraw/zinc/18/96/21/420189621.db2.gz WFQHSUDHXPGWIU-CQSZACIVSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420295860 420189626 /nfs/dbraw/zinc/18/96/26/420189626.db2.gz WFQHSUDHXPGWIU-CQSZACIVSA-N 2 2 306.366 1.607 20 5 DDBDLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000420305466 420193620 /nfs/dbraw/zinc/19/36/20/420193620.db2.gz KHLGKHVSOUGNJH-UHFFFAOYSA-N 2 2 312.757 1.658 20 5 DDBDLP C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000430919993 420204628 /nfs/dbraw/zinc/20/46/28/420204628.db2.gz SRWMEWTUQRQIRG-GWCFXTLKSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000430919993 420204631 /nfs/dbraw/zinc/20/46/31/420204631.db2.gz SRWMEWTUQRQIRG-GWCFXTLKSA-N 2 2 317.349 1.814 20 5 DDBDLP CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430615429 420158064 /nfs/dbraw/zinc/15/80/64/420158064.db2.gz BXDKBOKDMHSPSD-LBPRGKRZSA-N 2 2 306.366 1.228 20 5 DDBDLP CN(C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430615429 420158069 /nfs/dbraw/zinc/15/80/69/420158069.db2.gz BXDKBOKDMHSPSD-LBPRGKRZSA-N 2 2 306.366 1.228 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430632662 420165172 /nfs/dbraw/zinc/16/51/72/420165172.db2.gz YYPGQPPJNQPLNU-RYUDHWBXSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430632662 420165174 /nfs/dbraw/zinc/16/51/74/420165174.db2.gz YYPGQPPJNQPLNU-RYUDHWBXSA-N 2 2 306.366 1.593 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953788 420222215 /nfs/dbraw/zinc/22/22/15/420222215.db2.gz ICXLOIUGAONZAX-WCFLWFBJSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430953788 420222219 /nfs/dbraw/zinc/22/22/19/420222219.db2.gz ICXLOIUGAONZAX-WCFLWFBJSA-N 2 2 320.393 1.899 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420350971 420229210 /nfs/dbraw/zinc/22/92/10/420229210.db2.gz INTHJBMCXHVCDJ-JQWIXIFHSA-N 2 2 322.365 1.354 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420350971 420229215 /nfs/dbraw/zinc/22/92/15/420229215.db2.gz INTHJBMCXHVCDJ-JQWIXIFHSA-N 2 2 322.365 1.354 20 5 DDBDLP COc1ccc(OCC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC000420364683 420239127 /nfs/dbraw/zinc/23/91/27/420239127.db2.gz KLBYWHVIRVIXEP-BFQNTYOBSA-N 2 2 323.393 1.958 20 5 DDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420375162 420245500 /nfs/dbraw/zinc/24/55/00/420245500.db2.gz SSIHHPBKSPFSLJ-JRPNMDOOSA-N 2 2 306.366 1.509 20 5 DDBDLP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000449396792 421007789 /nfs/dbraw/zinc/00/77/89/421007789.db2.gz SOZNJCKAEMUJTM-CQSZACIVSA-N 2 2 323.393 1.540 20 5 DDBDLP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000449396792 421007791 /nfs/dbraw/zinc/00/77/91/421007791.db2.gz SOZNJCKAEMUJTM-CQSZACIVSA-N 2 2 323.393 1.540 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423193935 533686117 /nfs/dbraw/zinc/68/61/17/533686117.db2.gz RCQRFWBUISWOOY-DGCLKSJQSA-N 2 2 306.366 1.654 20 5 DDBDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000266215331 276151862 /nfs/dbraw/zinc/15/18/62/276151862.db2.gz YPQLRUHZJROZGG-GFCCVEGCSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420357722 302384325 /nfs/dbraw/zinc/38/43/25/302384325.db2.gz SQZNVFDGZOGCNK-JQWIXIFHSA-N 2 2 320.349 1.314 20 5 DDBDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420357722 302384328 /nfs/dbraw/zinc/38/43/28/302384328.db2.gz SQZNVFDGZOGCNK-JQWIXIFHSA-N 2 2 320.349 1.314 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000843086815 702816094 /nfs/dbraw/zinc/81/60/94/702816094.db2.gz HUUDLVPJKIQTBT-JKSUJKDBSA-N 2 2 323.393 1.065 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000843086815 702816095 /nfs/dbraw/zinc/81/60/95/702816095.db2.gz HUUDLVPJKIQTBT-JKSUJKDBSA-N 2 2 323.393 1.065 20 5 DDBDLP [NH3+]C1CC[NH+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000905704967 712125625 /nfs/dbraw/zinc/12/56/25/712125625.db2.gz FZQSQVFLFMYVGY-UHFFFAOYSA-N 2 2 315.377 1.978 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1NCC1([NH+]3CCCC3)COC1)C[NH2+]C2 ZINC001168451714 745113895 /nfs/dbraw/zinc/11/38/95/745113895.db2.gz RQLXCQIRSLMJDO-UHFFFAOYSA-N 2 2 318.377 1.475 20 5 DDBDLP [NH3+]C[C@]1(Nc2ncc(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160508410 865890407 /nfs/dbraw/zinc/89/04/07/865890407.db2.gz FYOXIEWNDXRTLW-ZDUSSCGKSA-N 2 2 311.773 1.478 20 5 DDBDLP Cc1[nH+]c2c(n1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352950 869539647 /nfs/dbraw/zinc/53/96/47/869539647.db2.gz IYLUJWKHLXGNKC-UHFFFAOYSA-N 2 2 323.740 1.064 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC001337823810 869644282 /nfs/dbraw/zinc/64/42/82/869644282.db2.gz FAXIKXRJJSBIHJ-CVEARBPZSA-N 2 2 303.362 1.679 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC001337823810 869644287 /nfs/dbraw/zinc/64/42/87/869644287.db2.gz FAXIKXRJJSBIHJ-CVEARBPZSA-N 2 2 303.362 1.679 20 5 DDBDLP CC(C)[NH+]1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090524604 353795120 /nfs/dbraw/zinc/79/51/20/353795120.db2.gz QTNCXJWXAOOTHW-UHFFFAOYSA-N 2 2 322.409 1.561 20 5 DDBDLP CC(C)[NH+]1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090524604 353795123 /nfs/dbraw/zinc/79/51/23/353795123.db2.gz QTNCXJWXAOOTHW-UHFFFAOYSA-N 2 2 322.409 1.561 20 5 DDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599019677 357795316 /nfs/dbraw/zinc/79/53/16/357795316.db2.gz UBESDLMWCICDCP-OVHOFWQVSA-N 2 2 305.378 1.654 20 5 DDBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599019677 357795322 /nfs/dbraw/zinc/79/53/22/357795322.db2.gz UBESDLMWCICDCP-OVHOFWQVSA-N 2 2 305.378 1.654 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351501958 284349365 /nfs/dbraw/zinc/34/93/65/284349365.db2.gz YLRDAZUDASIJTO-VOAKCMCISA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351501958 284349369 /nfs/dbraw/zinc/34/93/69/284349369.db2.gz YLRDAZUDASIJTO-VOAKCMCISA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261862032 407648342 /nfs/dbraw/zinc/64/83/42/407648342.db2.gz GAHGOYGLJLEDSK-LBPRGKRZSA-N 2 2 306.366 1.019 20 5 DDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261862032 407648346 /nfs/dbraw/zinc/64/83/46/407648346.db2.gz GAHGOYGLJLEDSK-LBPRGKRZSA-N 2 2 306.366 1.019 20 5 DDBDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000134733315 162085646 /nfs/dbraw/zinc/08/56/46/162085646.db2.gz OGUKWXBWHYYDBV-CYBMUJFWSA-N 2 2 307.398 1.740 20 5 DDBDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000134733315 162085650 /nfs/dbraw/zinc/08/56/50/162085650.db2.gz OGUKWXBWHYYDBV-CYBMUJFWSA-N 2 2 307.398 1.740 20 5 DDBDLP Cc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000163231780 408769067 /nfs/dbraw/zinc/76/90/67/408769067.db2.gz GLUQWPOHNJBONT-ZDUSSCGKSA-N 2 2 320.393 1.328 20 5 DDBDLP C[NH+](C[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289447474 409273484 /nfs/dbraw/zinc/27/34/84/409273484.db2.gz ULJVSGFOCCMMBA-INIZCTEOSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](C[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289447474 409273488 /nfs/dbraw/zinc/27/34/88/409273488.db2.gz ULJVSGFOCCMMBA-INIZCTEOSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289447474 409273490 /nfs/dbraw/zinc/27/34/90/409273490.db2.gz ULJVSGFOCCMMBA-INIZCTEOSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289447474 409273493 /nfs/dbraw/zinc/27/34/93/409273493.db2.gz ULJVSGFOCCMMBA-INIZCTEOSA-N 2 2 307.394 1.524 20 5 DDBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357646143 410161706 /nfs/dbraw/zinc/16/17/06/410161706.db2.gz KRRNVSYIVRFTSF-UHFFFAOYSA-N 2 2 323.393 1.362 20 5 DDBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357646143 410161713 /nfs/dbraw/zinc/16/17/13/410161713.db2.gz KRRNVSYIVRFTSF-UHFFFAOYSA-N 2 2 323.393 1.362 20 5 DDBDLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348295600 410904472 /nfs/dbraw/zinc/90/44/72/410904472.db2.gz UGCNDWKHXOXEBM-NWDGAFQWSA-N 2 2 308.382 1.852 20 5 DDBDLP C[N@H+](CC(C)(C)C[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430576669 420143159 /nfs/dbraw/zinc/14/31/59/420143159.db2.gz WKDJUPKJMWOIHB-AWEZNQCLSA-N 2 2 320.393 1.617 20 5 DDBDLP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430576669 420143163 /nfs/dbraw/zinc/14/31/63/420143163.db2.gz WKDJUPKJMWOIHB-AWEZNQCLSA-N 2 2 320.393 1.617 20 5 DDBDLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000420330149 420215128 /nfs/dbraw/zinc/21/51/28/420215128.db2.gz AFKMLMJKXITEDX-SWLSCSKDSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000420330149 420215133 /nfs/dbraw/zinc/21/51/33/420215133.db2.gz AFKMLMJKXITEDX-SWLSCSKDSA-N 2 2 318.377 1.607 20 5 DDBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420284909 420182045 /nfs/dbraw/zinc/18/20/45/420182045.db2.gz DCYONXRGOPJUMD-AWEZNQCLSA-N 2 2 306.366 1.737 20 5 DDBDLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420284909 420182050 /nfs/dbraw/zinc/18/20/50/420182050.db2.gz DCYONXRGOPJUMD-AWEZNQCLSA-N 2 2 306.366 1.737 20 5 DDBDLP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000449396791 421007077 /nfs/dbraw/zinc/00/70/77/421007077.db2.gz SOZNJCKAEMUJTM-AWEZNQCLSA-N 2 2 323.393 1.540 20 5 DDBDLP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000449396791 421007079 /nfs/dbraw/zinc/00/70/79/421007079.db2.gz SOZNJCKAEMUJTM-AWEZNQCLSA-N 2 2 323.393 1.540 20 5 DDBDLP C[N@H+](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578350722 422552802 /nfs/dbraw/zinc/55/28/02/422552802.db2.gz VCMVKJAAWMRKHF-UHFFFAOYSA-N 2 2 306.366 1.607 20 5 DDBDLP C[N@@H+](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000578350722 422552804 /nfs/dbraw/zinc/55/28/04/422552804.db2.gz VCMVKJAAWMRKHF-UHFFFAOYSA-N 2 2 306.366 1.607 20 5 DDBDLP Cn1c[nH+]c(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000563000462 484329350 /nfs/dbraw/zinc/32/93/50/484329350.db2.gz MNUDQIFBEFSYAI-UHFFFAOYSA-N 2 2 317.349 1.489 20 5 DDBDLP CCO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000905577775 712084151 /nfs/dbraw/zinc/08/41/51/712084151.db2.gz BOORPHKLJLUQNL-CABCVRRESA-N 2 2 311.382 1.185 20 5 DDBDLP CC(C)(C)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169070786 762218840 /nfs/dbraw/zinc/21/88/40/762218840.db2.gz BGXWAVRCYNABJB-LLVKDONJSA-N 2 2 319.365 1.335 20 5 DDBDLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132079670 768610255 /nfs/dbraw/zinc/61/02/55/768610255.db2.gz HTKUIRQDOUYCKQ-UHFFFAOYSA-N 2 2 317.349 1.087 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C[C@@H]3F)CC2)cc1 ZINC001246085804 892408306 /nfs/dbraw/zinc/40/83/06/892408306.db2.gz IZMYRNDSEVCMNT-JKSUJKDBSA-N 2 2 322.384 1.853 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000597989340 357407348 /nfs/dbraw/zinc/40/73/48/357407348.db2.gz DWBJHACRHNTOLX-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000597989340 357407354 /nfs/dbraw/zinc/40/73/54/357407354.db2.gz DWBJHACRHNTOLX-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000598990644 357785434 /nfs/dbraw/zinc/78/54/34/357785434.db2.gz PBAUJXXCDYHDDE-AWEZNQCLSA-N 2 2 320.393 1.333 20 5 DDBDLP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000598990644 357785438 /nfs/dbraw/zinc/78/54/38/357785438.db2.gz PBAUJXXCDYHDDE-AWEZNQCLSA-N 2 2 320.393 1.333 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599474140 357949253 /nfs/dbraw/zinc/94/92/53/357949253.db2.gz IQZWOQYERJSYMF-UHFFFAOYSA-N 2 2 319.405 1.934 20 5 DDBDLP C[C@@H]1[NH2+]CC[C@H]1N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600713161 358291462 /nfs/dbraw/zinc/29/14/62/358291462.db2.gz GJSYJEVNDBINDL-GLQYFDAESA-N 2 2 315.377 1.758 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600684195 358282042 /nfs/dbraw/zinc/28/20/42/358282042.db2.gz ZFPMOIFQDCBUGK-COPLHBTASA-N 2 2 306.366 1.652 20 5 DDBDLP C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[N@H+](C)CCO1 ZINC000601130823 358415626 /nfs/dbraw/zinc/41/56/26/358415626.db2.gz CHCBZVWZOUYXHE-ZBEGNZNMSA-N 2 2 316.361 1.696 20 5 DDBDLP C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000601130823 358415632 /nfs/dbraw/zinc/41/56/32/358415632.db2.gz CHCBZVWZOUYXHE-ZBEGNZNMSA-N 2 2 316.361 1.696 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000602796687 359197231 /nfs/dbraw/zinc/19/72/31/359197231.db2.gz RQBIHTCYCTVGNH-GFCCVEGCSA-N 2 2 304.354 1.323 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465041 422772352 /nfs/dbraw/zinc/77/23/52/422772352.db2.gz HMVJNDGIOJLSLW-KGLIPLIRSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465041 422772357 /nfs/dbraw/zinc/77/23/57/422772357.db2.gz HMVJNDGIOJLSLW-KGLIPLIRSA-N 2 2 309.366 1.018 20 5 DDBDLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178069948 408769073 /nfs/dbraw/zinc/76/90/73/408769073.db2.gz JIEYTQFRNGMIJP-HNNXBMFYSA-N 2 2 320.393 1.410 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078619 409851723 /nfs/dbraw/zinc/85/17/23/409851723.db2.gz RKDNZEIVKUJFOW-AGIUHOORSA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078619 409851728 /nfs/dbraw/zinc/85/17/28/409851728.db2.gz RKDNZEIVKUJFOW-AGIUHOORSA-N 2 2 318.377 1.463 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346100540 409783663 /nfs/dbraw/zinc/78/36/63/409783663.db2.gz SOUYGUKMPZTEIJ-NSHDSACASA-N 2 2 322.365 1.355 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346100540 409783666 /nfs/dbraw/zinc/78/36/66/409783666.db2.gz SOUYGUKMPZTEIJ-NSHDSACASA-N 2 2 322.365 1.355 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571446 418467576 /nfs/dbraw/zinc/46/75/76/418467576.db2.gz UULXMJRDEWEVHJ-LRDDRELGSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571446 418467579 /nfs/dbraw/zinc/46/75/79/418467579.db2.gz UULXMJRDEWEVHJ-LRDDRELGSA-N 2 2 318.377 1.607 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428033816 419792325 /nfs/dbraw/zinc/79/23/25/419792325.db2.gz NCQGAEVNFKAWSI-OCCSQVGLSA-N 2 2 321.377 1.666 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000428033816 419792329 /nfs/dbraw/zinc/79/23/29/419792329.db2.gz NCQGAEVNFKAWSI-OCCSQVGLSA-N 2 2 321.377 1.666 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414932428 419879839 /nfs/dbraw/zinc/87/98/39/419879839.db2.gz RBXQHEKUBICHDF-YWPYICTPSA-N 2 2 320.393 1.900 20 5 DDBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430562969 420137558 /nfs/dbraw/zinc/13/75/58/420137558.db2.gz HCZWUZXQMXSKEX-INIZCTEOSA-N 2 2 320.393 1.447 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430571027 420143477 /nfs/dbraw/zinc/14/34/77/420143477.db2.gz NHGWQEBYURTDLU-YNEHKIRRSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430571027 420143481 /nfs/dbraw/zinc/14/34/81/420143481.db2.gz NHGWQEBYURTDLU-YNEHKIRRSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430571018 420144367 /nfs/dbraw/zinc/14/43/67/420144367.db2.gz NHGWQEBYURTDLU-AVGNSLFASA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430571018 420144371 /nfs/dbraw/zinc/14/43/71/420144371.db2.gz NHGWQEBYURTDLU-AVGNSLFASA-N 2 2 320.393 1.981 20 5 DDBDLP [NH3+]C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430940014 420215643 /nfs/dbraw/zinc/21/56/43/420215643.db2.gz IKCJTUHZXJLYEO-SNVBAGLBSA-N 2 2 303.322 1.425 20 5 DDBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430940014 420215647 /nfs/dbraw/zinc/21/56/47/420215647.db2.gz IKCJTUHZXJLYEO-SNVBAGLBSA-N 2 2 303.322 1.425 20 5 DDBDLP CN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000420359720 420233956 /nfs/dbraw/zinc/23/39/56/420233956.db2.gz KFEWDEOAXNNFLU-ZDUSSCGKSA-N 2 2 308.382 1.521 20 5 DDBDLP CC(C)(C[NH+]1CCCC1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000452091390 420623849 /nfs/dbraw/zinc/62/38/49/420623849.db2.gz BJFNTCLYWIACQA-UHFFFAOYSA-N 2 2 308.382 1.221 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759113 420709801 /nfs/dbraw/zinc/70/98/01/420709801.db2.gz KGJMNTNXFKZLLW-IJLUTSLNSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759113 420709806 /nfs/dbraw/zinc/70/98/06/420709806.db2.gz KGJMNTNXFKZLLW-IJLUTSLNSA-N 2 2 306.366 1.591 20 5 DDBDLP C[N@@H+]1CCC[C@]2(CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976502 277086632 /nfs/dbraw/zinc/08/66/32/277086632.db2.gz MRKKWAMWTUDXML-INIZCTEOSA-N 2 2 320.393 1.174 20 5 DDBDLP C[N@H+]1CCC[C@]2(CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976502 277086633 /nfs/dbraw/zinc/08/66/33/277086633.db2.gz MRKKWAMWTUDXML-INIZCTEOSA-N 2 2 320.393 1.174 20 5 DDBDLP C[NH+]1CCC[C@]2(CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976502 277086634 /nfs/dbraw/zinc/08/66/34/277086634.db2.gz MRKKWAMWTUDXML-INIZCTEOSA-N 2 2 320.393 1.174 20 5 DDBDLP C[NH+]1CCC[C@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976502 277086635 /nfs/dbraw/zinc/08/66/35/277086635.db2.gz MRKKWAMWTUDXML-INIZCTEOSA-N 2 2 320.393 1.174 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369642507 307125470 /nfs/dbraw/zinc/12/54/70/307125470.db2.gz WRYPBWDTYKDIET-LLVKDONJSA-N 2 2 304.354 1.219 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369642507 307125471 /nfs/dbraw/zinc/12/54/71/307125471.db2.gz WRYPBWDTYKDIET-LLVKDONJSA-N 2 2 304.354 1.219 20 5 DDBDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000747469644 700072172 /nfs/dbraw/zinc/07/21/72/700072172.db2.gz HGAODVRTTJWILL-ZDUSSCGKSA-N 2 2 311.386 1.182 20 5 DDBDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000747469644 700072174 /nfs/dbraw/zinc/07/21/74/700072174.db2.gz HGAODVRTTJWILL-ZDUSSCGKSA-N 2 2 311.386 1.182 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000846876606 703345395 /nfs/dbraw/zinc/34/53/95/703345395.db2.gz BMWJJSXEDPAJLB-CQSZACIVSA-N 2 2 317.349 1.174 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000818986352 704043592 /nfs/dbraw/zinc/04/35/92/704043592.db2.gz MDRQUWGJTPBOFQ-HRCADAONSA-N 2 2 321.377 1.081 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000818986352 704043597 /nfs/dbraw/zinc/04/35/97/704043597.db2.gz MDRQUWGJTPBOFQ-HRCADAONSA-N 2 2 321.377 1.081 20 5 DDBDLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852755749 704115642 /nfs/dbraw/zinc/11/56/42/704115642.db2.gz DBBIMJMLMRSQEW-UHFFFAOYSA-N 2 2 322.340 1.486 20 5 DDBDLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852755749 704115644 /nfs/dbraw/zinc/11/56/44/704115644.db2.gz DBBIMJMLMRSQEW-UHFFFAOYSA-N 2 2 322.340 1.486 20 5 DDBDLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926964186 712923197 /nfs/dbraw/zinc/92/31/97/712923197.db2.gz WKIYALGJDGAGJN-WCQYABFASA-N 2 2 310.398 1.794 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963696 711349587 /nfs/dbraw/zinc/34/95/87/711349587.db2.gz GBXORPGLDZZDFR-UHIISALHSA-N 2 2 306.366 1.509 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCC[N@@H+](C3COC3)C1)C[NH2+]C2 ZINC001168371312 743560830 /nfs/dbraw/zinc/56/08/30/743560830.db2.gz DCLHBOHADNCAPY-CYBMUJFWSA-N 2 2 318.377 1.473 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCC[N@H+](C3COC3)C1)C[NH2+]C2 ZINC001168371312 743560835 /nfs/dbraw/zinc/56/08/35/743560835.db2.gz DCLHBOHADNCAPY-CYBMUJFWSA-N 2 2 318.377 1.473 20 5 DDBDLP CCOc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001169076082 762223946 /nfs/dbraw/zinc/22/39/46/762223946.db2.gz LSDBTFUEKQQPDK-SNVBAGLBSA-N 2 2 306.322 1.041 20 5 DDBDLP Cc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158258861 864522138 /nfs/dbraw/zinc/52/21/38/864522138.db2.gz KKJJCAJXAASZMK-GFCCVEGCSA-N 2 2 305.382 1.300 20 5 DDBDLP Cc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158258861 864522145 /nfs/dbraw/zinc/52/21/45/864522145.db2.gz KKJJCAJXAASZMK-GFCCVEGCSA-N 2 2 305.382 1.300 20 5 DDBDLP C[N@@H+]1CCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336744333 869120171 /nfs/dbraw/zinc/12/01/71/869120171.db2.gz KFLSVZBFROZMPV-ZDUSSCGKSA-N 2 2 320.393 1.997 20 5 DDBDLP C[N@H+]1CCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336744333 869120174 /nfs/dbraw/zinc/12/01/74/869120174.db2.gz KFLSVZBFROZMPV-ZDUSSCGKSA-N 2 2 320.393 1.997 20 5 DDBDLP C[N@H+](CCOCC[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600737949 358302352 /nfs/dbraw/zinc/30/23/52/358302352.db2.gz XWCBLABGNCVUEM-UHFFFAOYSA-N 2 2 321.337 1.052 20 5 DDBDLP C[N@@H+](CCOCC[NH3+])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000600737949 358302355 /nfs/dbraw/zinc/30/23/55/358302355.db2.gz XWCBLABGNCVUEM-UHFFFAOYSA-N 2 2 321.337 1.052 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351494186 284342802 /nfs/dbraw/zinc/34/28/02/284342802.db2.gz NTQKFTYUGUMKJM-UBHSHLNASA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351494186 284342806 /nfs/dbraw/zinc/34/28/06/284342806.db2.gz NTQKFTYUGUMKJM-UBHSHLNASA-N 2 2 318.377 1.511 20 5 DDBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000123721905 407337147 /nfs/dbraw/zinc/33/71/47/407337147.db2.gz GIWNPGBYNHRANB-ZDUSSCGKSA-N 2 2 318.381 1.480 20 5 DDBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000123721905 407337148 /nfs/dbraw/zinc/33/71/48/407337148.db2.gz GIWNPGBYNHRANB-ZDUSSCGKSA-N 2 2 318.381 1.480 20 5 DDBDLP C[NH+](C)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303109777 409536528 /nfs/dbraw/zinc/53/65/28/409536528.db2.gz KJMLMNQHSMBJAX-HNNXBMFYSA-N 2 2 323.393 1.361 20 5 DDBDLP CO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359048192 410548435 /nfs/dbraw/zinc/54/84/35/410548435.db2.gz VIUKLIRXIZQZDM-HIFRSBDPSA-N 2 2 309.366 1.412 20 5 DDBDLP CO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359048192 410548439 /nfs/dbraw/zinc/54/84/39/410548439.db2.gz VIUKLIRXIZQZDM-HIFRSBDPSA-N 2 2 309.366 1.412 20 5 DDBDLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000417352073 225304018 /nfs/dbraw/zinc/30/40/18/225304018.db2.gz FFSXMLFJQMBOJF-OLZOCXBDSA-N 2 2 307.398 1.959 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925092 420208321 /nfs/dbraw/zinc/20/83/21/420208321.db2.gz KDQRVQKSYATVKZ-IUODEOHRSA-N 2 2 318.377 1.241 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925092 420208325 /nfs/dbraw/zinc/20/83/25/420208325.db2.gz KDQRVQKSYATVKZ-IUODEOHRSA-N 2 2 318.377 1.241 20 5 DDBDLP C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430929731 420211149 /nfs/dbraw/zinc/21/11/49/420211149.db2.gz QAGWQESPYJLSLP-BXUZGUMPSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430929731 420211151 /nfs/dbraw/zinc/21/11/51/420211151.db2.gz QAGWQESPYJLSLP-BXUZGUMPSA-N 2 2 306.366 1.227 20 5 DDBDLP C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)C[NH3+] ZINC000430591387 420148437 /nfs/dbraw/zinc/14/84/37/420148437.db2.gz FIGHLEMVWHLCSS-UHFFFAOYSA-N 2 2 320.393 1.401 20 5 DDBDLP C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)C[NH3+] ZINC000430591387 420148440 /nfs/dbraw/zinc/14/84/40/420148440.db2.gz FIGHLEMVWHLCSS-UHFFFAOYSA-N 2 2 320.393 1.401 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643309 420168427 /nfs/dbraw/zinc/16/84/27/420168427.db2.gz XACJAMWTXDPJDH-OLZOCXBDSA-N 2 2 320.393 1.853 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430643309 420168430 /nfs/dbraw/zinc/16/84/30/420168430.db2.gz XACJAMWTXDPJDH-OLZOCXBDSA-N 2 2 320.393 1.853 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420355107 420231953 /nfs/dbraw/zinc/23/19/53/420231953.db2.gz BSLXVYMWJCNERN-AWEZNQCLSA-N 2 2 320.393 1.819 20 5 DDBDLP CC(C)[C@H]([NH3+])CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423276497 529070457 /nfs/dbraw/zinc/07/04/57/529070457.db2.gz OMFKJXDMEVWDEG-HUUCEWRRSA-N 2 2 317.393 1.991 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580628 706727104 /nfs/dbraw/zinc/72/71/04/706727104.db2.gz IPUKDFVUHYLSFV-KBMXLJTQSA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580628 706727105 /nfs/dbraw/zinc/72/71/05/706727105.db2.gz IPUKDFVUHYLSFV-KBMXLJTQSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580628 706727106 /nfs/dbraw/zinc/72/71/06/706727106.db2.gz IPUKDFVUHYLSFV-KBMXLJTQSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580628 706727107 /nfs/dbraw/zinc/72/71/07/706727107.db2.gz IPUKDFVUHYLSFV-KBMXLJTQSA-N 2 2 305.378 1.654 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000818959297 704035102 /nfs/dbraw/zinc/03/51/02/704035102.db2.gz HQCBESFHOLHNNH-OWCLPIDISA-N 2 2 305.378 1.845 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000818959297 704035108 /nfs/dbraw/zinc/03/51/08/704035108.db2.gz HQCBESFHOLHNNH-OWCLPIDISA-N 2 2 305.378 1.845 20 5 DDBDLP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903469043 711136145 /nfs/dbraw/zinc/13/61/45/711136145.db2.gz PQINUCUNWJRPRX-CQSZACIVSA-N 2 2 318.377 1.798 20 5 DDBDLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986904 762179879 /nfs/dbraw/zinc/17/98/79/762179879.db2.gz FZMZSYHIGDIGKU-NCOADZHNSA-N 2 2 318.421 1.233 20 5 DDBDLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037958 762192565 /nfs/dbraw/zinc/19/25/65/762192565.db2.gz UJBCTANKBAMCDZ-CVEARBPZSA-N 3 2 314.474 1.637 20 5 DDBDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001149124929 773185246 /nfs/dbraw/zinc/18/52/46/773185246.db2.gz XJJWHZYHGBVQJP-UHFFFAOYSA-N 2 2 317.349 1.075 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000602795300 359197778 /nfs/dbraw/zinc/19/77/78/359197778.db2.gz HUHOLHMXOWNHJD-GXTWGEPZSA-N 2 2 318.381 1.879 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000602795300 359197780 /nfs/dbraw/zinc/19/77/80/359197780.db2.gz HUHOLHMXOWNHJD-GXTWGEPZSA-N 2 2 318.381 1.879 20 5 DDBDLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000261744519 407598662 /nfs/dbraw/zinc/59/86/62/407598662.db2.gz LBOCLZHNKUUVLB-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000261744519 407598667 /nfs/dbraw/zinc/59/86/67/407598667.db2.gz LBOCLZHNKUUVLB-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966068 408223209 /nfs/dbraw/zinc/22/32/09/408223209.db2.gz YMDCZEFZDXGTBS-WFASDCNBSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966068 408223216 /nfs/dbraw/zinc/22/32/16/408223216.db2.gz YMDCZEFZDXGTBS-WFASDCNBSA-N 2 2 320.393 1.585 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351848701 410285545 /nfs/dbraw/zinc/28/55/45/410285545.db2.gz DVMIFHOKVMUKBL-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351848701 410285553 /nfs/dbraw/zinc/28/55/53/410285553.db2.gz DVMIFHOKVMUKBL-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP Cn1cc[nH+]c1[C@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423178629 227390509 /nfs/dbraw/zinc/39/05/09/227390509.db2.gz CGLWDTBKRYKZDT-DZGCQCFKSA-N 2 2 315.377 1.759 20 5 DDBDLP O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000373581164 418442442 /nfs/dbraw/zinc/44/24/42/418442442.db2.gz DLFGYDZYNYUHGP-ZDUSSCGKSA-N 2 2 304.354 1.715 20 5 DDBDLP O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000373581164 418442446 /nfs/dbraw/zinc/44/24/46/418442446.db2.gz DLFGYDZYNYUHGP-ZDUSSCGKSA-N 2 2 304.354 1.715 20 5 DDBDLP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414961082 419892307 /nfs/dbraw/zinc/89/23/07/419892307.db2.gz IHJBWWSXLYMDSE-AWEZNQCLSA-N 2 2 306.410 1.711 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423233876 419992653 /nfs/dbraw/zinc/99/26/53/419992653.db2.gz KQIWGKWEBSIXPO-HIFRSBDPSA-N 2 2 315.377 1.759 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430633300 420165226 /nfs/dbraw/zinc/16/52/26/420165226.db2.gz ZRJDFWKFPNSUCL-NEPJUHHUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430633300 420165227 /nfs/dbraw/zinc/16/52/27/420165227.db2.gz ZRJDFWKFPNSUCL-NEPJUHHUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228307 420250622 /nfs/dbraw/zinc/25/06/22/420250622.db2.gz OJZOZNGWYMZMKJ-RDJZCZTQSA-N 2 2 319.405 1.973 20 5 DDBDLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228307 420250625 /nfs/dbraw/zinc/25/06/25/420250625.db2.gz OJZOZNGWYMZMKJ-RDJZCZTQSA-N 2 2 319.405 1.973 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420405673 699139359 /nfs/dbraw/zinc/13/93/59/699139359.db2.gz PRXIVPFBPQUYRB-MRXNPFEDSA-N 2 2 318.377 1.751 20 5 DDBDLP O=C(CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420405673 699139360 /nfs/dbraw/zinc/13/93/60/699139360.db2.gz PRXIVPFBPQUYRB-MRXNPFEDSA-N 2 2 318.377 1.751 20 5 DDBDLP C[NH2+]CCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863551113 705955450 /nfs/dbraw/zinc/95/54/50/705955450.db2.gz HMKBTRIYOJLXPQ-UHFFFAOYSA-N 2 2 301.774 1.916 20 5 DDBDLP C[NH2+]CCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863551113 705955452 /nfs/dbraw/zinc/95/54/52/705955452.db2.gz HMKBTRIYOJLXPQ-UHFFFAOYSA-N 2 2 301.774 1.916 20 5 DDBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004173 705955823 /nfs/dbraw/zinc/95/58/23/705955823.db2.gz HZYNLLRDZLKVNG-MOKVOYLWSA-N 2 2 323.397 1.195 20 5 DDBDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004173 705955827 /nfs/dbraw/zinc/95/58/27/705955827.db2.gz HZYNLLRDZLKVNG-MOKVOYLWSA-N 2 2 323.397 1.195 20 5 DDBDLP Cc1cc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169074969 762222698 /nfs/dbraw/zinc/22/26/98/762222698.db2.gz CGYFOXLQRJKLRU-SECBINFHSA-N 2 2 310.741 1.604 20 5 DDBDLP Cc1nc(Cl)nc(NCC[NH+]2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001161867683 867047100 /nfs/dbraw/zinc/04/71/00/867047100.db2.gz WCDUQAZARZMPRA-UHFFFAOYSA-N 2 2 314.777 1.182 20 5 DDBDLP C[NH2+]C[C@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420214388 530000099 /nfs/dbraw/zinc/00/00/99/530000099.db2.gz VMBVHBGGSFUVDT-ZDUSSCGKSA-N 2 2 322.409 1.694 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)nc2c1 ZINC000600734930 358301294 /nfs/dbraw/zinc/30/12/94/358301294.db2.gz RJPCAYKETVGEPU-GFCCVEGCSA-N 2 2 319.365 1.017 20 5 DDBDLP C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000602551226 359040501 /nfs/dbraw/zinc/04/05/01/359040501.db2.gz OJBYQVJADRZGCJ-CQSZACIVSA-N 2 2 307.394 1.695 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351501959 284349157 /nfs/dbraw/zinc/34/91/57/284349157.db2.gz YLRDAZUDASIJTO-XQHKEYJVSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351501959 284349163 /nfs/dbraw/zinc/34/91/63/284349163.db2.gz YLRDAZUDASIJTO-XQHKEYJVSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417382831 533446644 /nfs/dbraw/zinc/44/66/44/533446644.db2.gz OIEVEBZGYNIFPC-LBPRGKRZSA-N 2 2 320.393 1.996 20 5 DDBDLP CN(CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289385049 409258464 /nfs/dbraw/zinc/25/84/64/409258464.db2.gz JNHSNIXSKTVLAI-UHFFFAOYSA-N 2 2 314.455 1.972 20 5 DDBDLP CN(CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289385049 409258467 /nfs/dbraw/zinc/25/84/67/409258467.db2.gz JNHSNIXSKTVLAI-UHFFFAOYSA-N 2 2 314.455 1.972 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351848696 410284502 /nfs/dbraw/zinc/28/45/02/410284502.db2.gz DVMIFHOKVMUKBL-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351848696 410284508 /nfs/dbraw/zinc/28/45/08/410284508.db2.gz DVMIFHOKVMUKBL-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679904 410873702 /nfs/dbraw/zinc/87/37/02/410873702.db2.gz YESWMKLXPYYBOU-PWSUYJOCSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679904 410873708 /nfs/dbraw/zinc/87/37/08/410873708.db2.gz YESWMKLXPYYBOU-PWSUYJOCSA-N 2 2 309.366 1.881 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430630556 420164205 /nfs/dbraw/zinc/16/42/05/420164205.db2.gz YXEAAXDEPTUKJT-LBPRGKRZSA-N 2 2 306.366 1.512 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430630556 420164207 /nfs/dbraw/zinc/16/42/07/420164207.db2.gz YXEAAXDEPTUKJT-LBPRGKRZSA-N 2 2 306.366 1.512 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000430594365 277278836 /nfs/dbraw/zinc/27/88/36/277278836.db2.gz VLXOSYLGHMRKBL-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000430594365 277278839 /nfs/dbraw/zinc/27/88/39/277278839.db2.gz VLXOSYLGHMRKBL-ZDUSSCGKSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000365404461 307066650 /nfs/dbraw/zinc/06/66/50/307066650.db2.gz PZIINUCMQYKYJT-AWEZNQCLSA-N 2 2 320.393 1.610 20 5 DDBDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000365404461 307066651 /nfs/dbraw/zinc/06/66/51/307066651.db2.gz PZIINUCMQYKYJT-AWEZNQCLSA-N 2 2 320.393 1.610 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366633686 307078118 /nfs/dbraw/zinc/07/81/18/307078118.db2.gz CKYCFGSEKRTCIW-OCCSQVGLSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366633686 307078119 /nfs/dbraw/zinc/07/81/19/307078119.db2.gz CKYCFGSEKRTCIW-OCCSQVGLSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366633686 307078120 /nfs/dbraw/zinc/07/81/20/307078120.db2.gz CKYCFGSEKRTCIW-OCCSQVGLSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366633686 307078121 /nfs/dbraw/zinc/07/81/21/307078121.db2.gz CKYCFGSEKRTCIW-OCCSQVGLSA-N 2 2 319.409 1.777 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424336838 307301369 /nfs/dbraw/zinc/30/13/69/307301369.db2.gz REGYJCCVBIZRJH-VXGBXAGGSA-N 2 2 322.365 1.401 20 5 DDBDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168849 308264028 /nfs/dbraw/zinc/26/40/28/308264028.db2.gz KUTFCXRCVTYYPU-SWLSCSKDSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168849 308264030 /nfs/dbraw/zinc/26/40/30/308264030.db2.gz KUTFCXRCVTYYPU-SWLSCSKDSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788563809 699324349 /nfs/dbraw/zinc/32/43/49/699324349.db2.gz NWJPDLPOPIKBCY-GFCCVEGCSA-N 2 2 322.409 1.938 20 5 DDBDLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876926926 705927100 /nfs/dbraw/zinc/92/71/00/705927100.db2.gz LFEGAPDSTYYHFX-IYXRBSQSSA-N 2 2 307.398 1.959 20 5 DDBDLP C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258554 706922893 /nfs/dbraw/zinc/92/28/93/706922893.db2.gz IIOVYTPNEXHXTM-LBPRGKRZSA-N 2 2 316.365 1.434 20 5 DDBDLP C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000880258554 706922894 /nfs/dbraw/zinc/92/28/94/706922894.db2.gz IIOVYTPNEXHXTM-LBPRGKRZSA-N 2 2 316.365 1.434 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164211736 869018331 /nfs/dbraw/zinc/01/83/31/869018331.db2.gz RDRHRAFHFMXNDJ-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489223 355598324 /nfs/dbraw/zinc/59/83/24/355598324.db2.gz UEGFPVNQWWCYLF-IUODEOHRSA-N 2 2 320.393 1.617 20 5 DDBDLP CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489223 355598328 /nfs/dbraw/zinc/59/83/28/355598328.db2.gz UEGFPVNQWWCYLF-IUODEOHRSA-N 2 2 320.393 1.617 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036832 283156692 /nfs/dbraw/zinc/15/66/92/283156692.db2.gz HIOIXKCUWLDPOP-ZYHUDNBSSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000347036832 283156697 /nfs/dbraw/zinc/15/66/97/283156697.db2.gz HIOIXKCUWLDPOP-ZYHUDNBSSA-N 2 2 309.366 1.781 20 5 DDBDLP Cc1[nH+]cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1C ZINC000597117702 357065939 /nfs/dbraw/zinc/06/59/39/357065939.db2.gz QJNXJEXMDJMEAB-UHFFFAOYSA-N 2 2 300.322 1.803 20 5 DDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989707 359342358 /nfs/dbraw/zinc/34/23/58/359342358.db2.gz ZZPDNXDYWNKYMS-CYBMUJFWSA-N 2 2 320.393 1.362 20 5 DDBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989707 359342365 /nfs/dbraw/zinc/34/23/65/359342365.db2.gz ZZPDNXDYWNKYMS-CYBMUJFWSA-N 2 2 320.393 1.362 20 5 DDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847715 207016671 /nfs/dbraw/zinc/01/66/71/207016671.db2.gz BQBWEFGGCYOTGC-UKRRQHHQSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847715 207016676 /nfs/dbraw/zinc/01/66/76/207016676.db2.gz BQBWEFGGCYOTGC-UKRRQHHQSA-N 2 2 306.410 1.800 20 5 DDBDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262449759 407836739 /nfs/dbraw/zinc/83/67/39/407836739.db2.gz HPKBLULUTHLCCV-NWDGAFQWSA-N 2 2 306.366 1.450 20 5 DDBDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262449759 407836742 /nfs/dbraw/zinc/83/67/42/407836742.db2.gz HPKBLULUTHLCCV-NWDGAFQWSA-N 2 2 306.366 1.450 20 5 DDBDLP [NH3+][C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000346097137 409779549 /nfs/dbraw/zinc/77/95/49/409779549.db2.gz PXPAPIKPSLTYHA-NSHDSACASA-N 2 2 320.349 1.316 20 5 DDBDLP [NH3+][C@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000346097137 409779557 /nfs/dbraw/zinc/77/95/57/409779557.db2.gz PXPAPIKPSLTYHA-NSHDSACASA-N 2 2 320.349 1.316 20 5 DDBDLP CC(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358171264 410393589 /nfs/dbraw/zinc/39/35/89/410393589.db2.gz SALFKUPAKSHJIU-MRXNPFEDSA-N 2 2 307.394 1.874 20 5 DDBDLP CC(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358171264 410393594 /nfs/dbraw/zinc/39/35/94/410393594.db2.gz SALFKUPAKSHJIU-MRXNPFEDSA-N 2 2 307.394 1.874 20 5 DDBDLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420347818 420227062 /nfs/dbraw/zinc/22/70/62/420227062.db2.gz ZJDQWYMVYFRGNC-STQMWFEESA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420347818 420227067 /nfs/dbraw/zinc/22/70/67/420227067.db2.gz ZJDQWYMVYFRGNC-STQMWFEESA-N 2 2 320.393 1.983 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442792762 420714935 /nfs/dbraw/zinc/71/49/35/420714935.db2.gz QWGUKDPEHZIYHJ-WXHSDQCUSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442792762 420714937 /nfs/dbraw/zinc/71/49/37/420714937.db2.gz QWGUKDPEHZIYHJ-WXHSDQCUSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391034 421004547 /nfs/dbraw/zinc/00/45/47/421004547.db2.gz HLPSNAJDPCQIHA-INIZCTEOSA-N 2 2 307.394 1.840 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391034 421004550 /nfs/dbraw/zinc/00/45/50/421004550.db2.gz HLPSNAJDPCQIHA-INIZCTEOSA-N 2 2 307.394 1.840 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395177 421007120 /nfs/dbraw/zinc/00/71/20/421007120.db2.gz IIPXGKGMECUDPS-GDBMZVCRSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395177 421007123 /nfs/dbraw/zinc/00/71/23/421007123.db2.gz IIPXGKGMECUDPS-GDBMZVCRSA-N 2 2 321.421 1.962 20 5 DDBDLP COc1ccc(NC(=O)[C@@H](C)[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342113183 271300615 /nfs/dbraw/zinc/30/06/15/271300615.db2.gz BIIRSXXFZKGGSS-SNVBAGLBSA-N 2 2 322.365 1.401 20 5 DDBDLP CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363063831 300205319 /nfs/dbraw/zinc/20/53/19/300205319.db2.gz MGCJALGHSIOWME-CQSZACIVSA-N 2 2 319.409 1.595 20 5 DDBDLP CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363063831 300205321 /nfs/dbraw/zinc/20/53/21/300205321.db2.gz MGCJALGHSIOWME-CQSZACIVSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451753158 533736609 /nfs/dbraw/zinc/73/66/09/533736609.db2.gz AGXIDZXQFAPEPQ-NSHDSACASA-N 2 2 317.349 1.460 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000843086739 702816108 /nfs/dbraw/zinc/81/61/08/702816108.db2.gz HUUDLVPJKIQTBT-HOTGVXAUSA-N 2 2 323.393 1.065 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000843086739 702816109 /nfs/dbraw/zinc/81/61/09/702816109.db2.gz HUUDLVPJKIQTBT-HOTGVXAUSA-N 2 2 323.393 1.065 20 5 DDBDLP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571283 706722340 /nfs/dbraw/zinc/72/23/40/706722340.db2.gz OSLBIFPAFTZLEK-KBPBESRZSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571283 706722342 /nfs/dbraw/zinc/72/23/42/706722342.db2.gz OSLBIFPAFTZLEK-KBPBESRZSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571283 706722346 /nfs/dbraw/zinc/72/23/46/706722346.db2.gz OSLBIFPAFTZLEK-KBPBESRZSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571283 706722350 /nfs/dbraw/zinc/72/23/50/706722350.db2.gz OSLBIFPAFTZLEK-KBPBESRZSA-N 2 2 305.378 2.000 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863566929 705959529 /nfs/dbraw/zinc/95/95/29/705959529.db2.gz AMVPQCOMOPBVGS-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863566929 705959532 /nfs/dbraw/zinc/95/95/32/705959532.db2.gz AMVPQCOMOPBVGS-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000872632230 707523870 /nfs/dbraw/zinc/52/38/70/707523870.db2.gz WCEQMQQQNSUTNR-UHFFFAOYSA-N 2 2 311.386 1.039 20 5 DDBDLP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000872632230 707523874 /nfs/dbraw/zinc/52/38/74/707523874.db2.gz WCEQMQQQNSUTNR-UHFFFAOYSA-N 2 2 311.386 1.039 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902446349 710757001 /nfs/dbraw/zinc/75/70/01/710757001.db2.gz OGVQTRVYHKYBEY-RISCZKNCSA-N 2 2 320.393 1.900 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001158206222 864488691 /nfs/dbraw/zinc/48/86/91/864488691.db2.gz DPQNBZKATFYUAM-LLVKDONJSA-N 2 2 313.317 1.191 20 5 DDBDLP C[NH+](C)C1(CNc2nccc(N)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164210723 869019932 /nfs/dbraw/zinc/01/99/32/869019932.db2.gz HMJPLNGWZRBPRS-UHFFFAOYSA-N 2 2 308.386 1.010 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C[C@H]3F)CC2)cc1 ZINC001246085800 892408389 /nfs/dbraw/zinc/40/83/89/892408389.db2.gz IZMYRNDSEVCMNT-CVEARBPZSA-N 2 2 322.384 1.853 20 5 DDBDLP C[C@@H]1C[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000090551641 185302730 /nfs/dbraw/zinc/30/27/30/185302730.db2.gz NNRGUYRPHWFPJU-OLZOCXBDSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@@H]1C[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000090551641 185302731 /nfs/dbraw/zinc/30/27/31/185302731.db2.gz NNRGUYRPHWFPJU-OLZOCXBDSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[NH+]1C ZINC000090551641 185302732 /nfs/dbraw/zinc/30/27/32/185302732.db2.gz NNRGUYRPHWFPJU-OLZOCXBDSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC[NH+]1C ZINC000090551641 185302733 /nfs/dbraw/zinc/30/27/33/185302733.db2.gz NNRGUYRPHWFPJU-OLZOCXBDSA-N 2 2 308.382 1.171 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485269 355596041 /nfs/dbraw/zinc/59/60/41/355596041.db2.gz VRDVLXXTRHYSHA-LLVKDONJSA-N 2 2 306.366 1.735 20 5 DDBDLP [NH3+]C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347110705 283180751 /nfs/dbraw/zinc/18/07/51/283180751.db2.gz PSKNHWOCSDSJKX-SECBINFHSA-N 2 2 301.293 1.977 20 5 DDBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347110705 283180753 /nfs/dbraw/zinc/18/07/53/283180753.db2.gz PSKNHWOCSDSJKX-SECBINFHSA-N 2 2 301.293 1.977 20 5 DDBDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066131 356759601 /nfs/dbraw/zinc/75/96/01/356759601.db2.gz PLQUGNHAFRHSRE-DZGCQCFKSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066131 356759605 /nfs/dbraw/zinc/75/96/05/356759605.db2.gz PLQUGNHAFRHSRE-DZGCQCFKSA-N 2 2 323.393 1.408 20 5 DDBDLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1O ZINC000237257573 202208068 /nfs/dbraw/zinc/20/80/68/202208068.db2.gz STIKUUHCCRRFJR-NSHDSACASA-N 2 2 320.349 1.931 20 5 DDBDLP Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000602488147 359012932 /nfs/dbraw/zinc/01/29/32/359012932.db2.gz SKAOFMDZLPETNX-MGPQQGTHSA-N 2 2 323.397 1.012 20 5 DDBDLP Cn1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])n1 ZINC000602488147 359012935 /nfs/dbraw/zinc/01/29/35/359012935.db2.gz SKAOFMDZLPETNX-MGPQQGTHSA-N 2 2 323.397 1.012 20 5 DDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]12 ZINC000351494572 284343286 /nfs/dbraw/zinc/34/32/86/284343286.db2.gz OHHWOTVIOMDMFD-MVWJERBFSA-N 2 2 302.334 1.905 20 5 DDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]12 ZINC000351494572 284343290 /nfs/dbraw/zinc/34/32/90/284343290.db2.gz OHHWOTVIOMDMFD-MVWJERBFSA-N 2 2 302.334 1.905 20 5 DDBDLP [NH3+]C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178514715 407478489 /nfs/dbraw/zinc/47/84/89/407478489.db2.gz JKTAZCNHYZFJKC-NSHDSACASA-N 2 2 315.333 1.201 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858434 410297293 /nfs/dbraw/zinc/29/72/93/410297293.db2.gz DCEQAXYPQPQYLO-FRRDWIJNSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858434 410297299 /nfs/dbraw/zinc/29/72/99/410297299.db2.gz DCEQAXYPQPQYLO-FRRDWIJNSA-N 2 2 320.393 1.899 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1O ZINC000368087338 418688376 /nfs/dbraw/zinc/68/83/76/418688376.db2.gz ARNXLSWGIZQWHH-SNVBAGLBSA-N 2 2 318.333 1.679 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])cc1O ZINC000368087338 418688377 /nfs/dbraw/zinc/68/83/77/418688377.db2.gz ARNXLSWGIZQWHH-SNVBAGLBSA-N 2 2 318.333 1.679 20 5 DDBDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000424277302 228254467 /nfs/dbraw/zinc/25/44/67/228254467.db2.gz AAXFRCBKILDMJN-ZLKJLUDKSA-N 2 2 306.366 1.781 20 5 DDBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430567823 420141059 /nfs/dbraw/zinc/14/10/59/420141059.db2.gz VCEBSAOEWDUEBQ-HNNXBMFYSA-N 2 2 322.409 1.863 20 5 DDBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000430567823 420141063 /nfs/dbraw/zinc/14/10/63/420141063.db2.gz VCEBSAOEWDUEBQ-HNNXBMFYSA-N 2 2 322.409 1.863 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430934218 420213357 /nfs/dbraw/zinc/21/33/57/420213357.db2.gz NXIKXLGZXGROEQ-LLVKDONJSA-N 2 2 317.349 1.686 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430934218 420213360 /nfs/dbraw/zinc/21/33/60/420213360.db2.gz NXIKXLGZXGROEQ-LLVKDONJSA-N 2 2 317.349 1.686 20 5 DDBDLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420284910 420182637 /nfs/dbraw/zinc/18/26/37/420182637.db2.gz DCYONXRGOPJUMD-CQSZACIVSA-N 2 2 306.366 1.737 20 5 DDBDLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420284910 420182642 /nfs/dbraw/zinc/18/26/42/420182642.db2.gz DCYONXRGOPJUMD-CQSZACIVSA-N 2 2 306.366 1.737 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369127 420241031 /nfs/dbraw/zinc/24/10/31/420241031.db2.gz BRCSRGHAOQTKER-JHJVBQTASA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420369127 420241034 /nfs/dbraw/zinc/24/10/34/420241034.db2.gz BRCSRGHAOQTKER-JHJVBQTASA-N 2 2 320.393 1.839 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420388142 420255565 /nfs/dbraw/zinc/25/55/65/420255565.db2.gz WVDLBGYPTPKVRN-YPMHNXCESA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420388142 420255567 /nfs/dbraw/zinc/25/55/67/420255567.db2.gz WVDLBGYPTPKVRN-YPMHNXCESA-N 2 2 320.393 1.758 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866945 274206618 /nfs/dbraw/zinc/20/66/18/274206618.db2.gz NMYSGJYNAAXFHI-AAEUAGOBSA-N 2 2 306.366 1.654 20 5 DDBDLP C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000364383748 300387394 /nfs/dbraw/zinc/38/73/94/300387394.db2.gz MPXBDTZNEXJFFM-CYBMUJFWSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000364383748 300387395 /nfs/dbraw/zinc/38/73/95/300387395.db2.gz MPXBDTZNEXJFFM-CYBMUJFWSA-N 2 2 319.409 1.595 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000566974305 308067547 /nfs/dbraw/zinc/06/75/47/308067547.db2.gz QWDWDYHWCKOUHO-NSHDSACASA-N 2 2 317.349 1.816 20 5 DDBDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000566974305 308067548 /nfs/dbraw/zinc/06/75/48/308067548.db2.gz QWDWDYHWCKOUHO-NSHDSACASA-N 2 2 317.349 1.816 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000583381978 332375970 /nfs/dbraw/zinc/37/59/70/332375970.db2.gz ZCNCGUXWYZBKFH-LBPRGKRZSA-N 2 2 322.365 1.226 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000583381978 332375972 /nfs/dbraw/zinc/37/59/72/332375972.db2.gz ZCNCGUXWYZBKFH-LBPRGKRZSA-N 2 2 322.365 1.226 20 5 DDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588829 698123147 /nfs/dbraw/zinc/12/31/47/698123147.db2.gz CFHPUYIXBYEGLS-XJKSGUPXSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588829 698123149 /nfs/dbraw/zinc/12/31/49/698123149.db2.gz CFHPUYIXBYEGLS-XJKSGUPXSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588829 698123151 /nfs/dbraw/zinc/12/31/51/698123151.db2.gz CFHPUYIXBYEGLS-XJKSGUPXSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588829 698123155 /nfs/dbraw/zinc/12/31/55/698123155.db2.gz CFHPUYIXBYEGLS-XJKSGUPXSA-N 2 2 307.394 1.902 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577504 706724806 /nfs/dbraw/zinc/72/48/06/706724806.db2.gz JRKSOZRIZFNERO-FVQBIDKESA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577504 706724809 /nfs/dbraw/zinc/72/48/09/706724809.db2.gz JRKSOZRIZFNERO-FVQBIDKESA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577504 706724812 /nfs/dbraw/zinc/72/48/12/706724812.db2.gz JRKSOZRIZFNERO-FVQBIDKESA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577504 706724814 /nfs/dbraw/zinc/72/48/14/706724814.db2.gz JRKSOZRIZFNERO-FVQBIDKESA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931311818 714062488 /nfs/dbraw/zinc/06/24/88/714062488.db2.gz PPYRQDFKJMZAMU-BRWVUGGUSA-N 2 2 319.405 1.902 20 5 DDBDLP CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923287727 714298392 /nfs/dbraw/zinc/29/83/92/714298392.db2.gz VYEPHGZWBAPTHU-HUUCEWRRSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000923287727 714298394 /nfs/dbraw/zinc/29/83/94/714298394.db2.gz VYEPHGZWBAPTHU-HUUCEWRRSA-N 2 2 323.393 1.408 20 5 DDBDLP COc1cc(C)nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001160509804 865890265 /nfs/dbraw/zinc/89/02/65/865890265.db2.gz AJRAOOPUZYRBCI-OAHLLOKOSA-N 2 2 321.381 1.142 20 5 DDBDLP O=C(CC[NH2+]CC[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC001262558094 900241327 /nfs/dbraw/zinc/24/13/27/900241327.db2.gz UXHZLYUYTBQMGV-UHFFFAOYSA-N 2 2 320.393 1.999 20 5 DDBDLP C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC001262562558 900246182 /nfs/dbraw/zinc/24/61/82/900246182.db2.gz DZFCCXBRPPIPQB-SWLSCSKDSA-N 2 2 304.350 1.751 20 5 DDBDLP Cn1c[nH+]c(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000590970048 355226305 /nfs/dbraw/zinc/22/63/05/355226305.db2.gz JEPPLTFZLUIAFL-UHFFFAOYSA-N 2 2 318.333 1.432 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591579972 355330730 /nfs/dbraw/zinc/33/07/30/355330730.db2.gz CANMMXMXMLDAPC-MDZLAQPJSA-N 2 2 324.356 1.602 20 5 DDBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400512 356479091 /nfs/dbraw/zinc/47/90/91/356479091.db2.gz HLSVHPLKRXJAKA-UHFFFAOYSA-N 2 2 324.400 1.803 20 5 DDBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400512 356479093 /nfs/dbraw/zinc/47/90/93/356479093.db2.gz HLSVHPLKRXJAKA-UHFFFAOYSA-N 2 2 324.400 1.803 20 5 DDBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599092469 357813777 /nfs/dbraw/zinc/81/37/77/357813777.db2.gz IGQCPERNWSMCSN-ZFWWWQNUSA-N 2 2 307.394 1.572 20 5 DDBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599092469 357813780 /nfs/dbraw/zinc/81/37/80/357813780.db2.gz IGQCPERNWSMCSN-ZFWWWQNUSA-N 2 2 307.394 1.572 20 5 DDBDLP Cc1cc(N[C@@H]2CC[NH2+][C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000600957054 358356271 /nfs/dbraw/zinc/35/62/71/358356271.db2.gz KSSTXFLJINZDQC-SMDDNHRTSA-N 2 2 313.361 1.944 20 5 DDBDLP Cc1[nH+]cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601148456 358421992 /nfs/dbraw/zinc/42/19/92/358421992.db2.gz BZNIFKOGDOYAJP-OAHLLOKOSA-N 2 2 304.350 1.634 20 5 DDBDLP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602695324 359130822 /nfs/dbraw/zinc/13/08/22/359130822.db2.gz MKCFUBZRMVGIPQ-UHFFFAOYSA-N 2 2 319.409 1.642 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351476171 284330330 /nfs/dbraw/zinc/33/03/30/284330330.db2.gz JTAHKEJNDTYVTP-UBHSHLNASA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351476171 284330334 /nfs/dbraw/zinc/33/03/34/284330334.db2.gz JTAHKEJNDTYVTP-UBHSHLNASA-N 2 2 318.377 1.511 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351501960 284349141 /nfs/dbraw/zinc/34/91/41/284349141.db2.gz YLRDAZUDASIJTO-YVECIDJPSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351501960 284349147 /nfs/dbraw/zinc/34/91/47/284349147.db2.gz YLRDAZUDASIJTO-YVECIDJPSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262554804 407865625 /nfs/dbraw/zinc/86/56/25/407865625.db2.gz TWNBTKQQZQVJQZ-ZWNOBZJWSA-N 2 2 306.366 1.110 20 5 DDBDLP C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262554804 407865632 /nfs/dbraw/zinc/86/56/32/407865632.db2.gz TWNBTKQQZQVJQZ-ZWNOBZJWSA-N 2 2 306.366 1.110 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857648 410293998 /nfs/dbraw/zinc/29/39/98/410293998.db2.gz YBZKNPDZOGMOPK-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351857648 410294006 /nfs/dbraw/zinc/29/40/06/410294006.db2.gz YBZKNPDZOGMOPK-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420331854 420216177 /nfs/dbraw/zinc/21/61/77/420216177.db2.gz AWFWUVVXXVUUJG-UHFFFAOYSA-N 2 2 310.354 1.083 20 5 DDBDLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420331854 420216180 /nfs/dbraw/zinc/21/61/80/420216180.db2.gz AWFWUVVXXVUUJG-UHFFFAOYSA-N 2 2 310.354 1.083 20 5 DDBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965439 420225981 /nfs/dbraw/zinc/22/59/81/420225981.db2.gz JKWVNHPMLGVLRU-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430965439 420225984 /nfs/dbraw/zinc/22/59/84/420225984.db2.gz JKWVNHPMLGVLRU-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442792758 420715392 /nfs/dbraw/zinc/71/53/92/420715392.db2.gz QWGUKDPEHZIYHJ-DRZSPHRISA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442792758 420715395 /nfs/dbraw/zinc/71/53/95/420715395.db2.gz QWGUKDPEHZIYHJ-DRZSPHRISA-N 2 2 320.393 1.899 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442794719 420717188 /nfs/dbraw/zinc/71/71/88/420717188.db2.gz UDNVQEPUVTXOJG-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442794719 420717191 /nfs/dbraw/zinc/71/71/91/420717191.db2.gz UDNVQEPUVTXOJG-GHMZBOCLSA-N 2 2 322.365 1.211 20 5 DDBDLP CC[N@H+](C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447804848 420802844 /nfs/dbraw/zinc/80/28/44/420802844.db2.gz GXMFMSOJPWKDNX-UHFFFAOYSA-N 2 2 322.409 1.791 20 5 DDBDLP CC[N@@H+](C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447804848 420802847 /nfs/dbraw/zinc/80/28/47/420802847.db2.gz GXMFMSOJPWKDNX-UHFFFAOYSA-N 2 2 322.409 1.791 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423492142 275037823 /nfs/dbraw/zinc/03/78/23/275037823.db2.gz LWOWDBGALJZDJX-HOCLYGCPSA-N 2 2 305.378 1.940 20 5 DDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261962734 698448114 /nfs/dbraw/zinc/44/81/14/698448114.db2.gz OYWIQDUKAZAURI-LBPRGKRZSA-N 2 2 306.366 1.019 20 5 DDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261962734 698448117 /nfs/dbraw/zinc/44/81/17/698448117.db2.gz OYWIQDUKAZAURI-LBPRGKRZSA-N 2 2 306.366 1.019 20 5 DDBDLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154146 711049907 /nfs/dbraw/zinc/04/99/07/711049907.db2.gz TVNDCMKFHJZYMU-IAQYHMDHSA-N 2 2 309.366 1.321 20 5 DDBDLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154146 711049912 /nfs/dbraw/zinc/04/99/12/711049912.db2.gz TVNDCMKFHJZYMU-IAQYHMDHSA-N 2 2 309.366 1.321 20 5 DDBDLP C[NH+](C)CCC[NH+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037960 762192538 /nfs/dbraw/zinc/19/25/38/762192538.db2.gz UJBCTANKBAMCDZ-HZPDHXFCSA-N 3 2 314.474 1.637 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC001326757416 861594602 /nfs/dbraw/zinc/59/46/02/861594602.db2.gz ORBBTRDNVVILSJ-AWEZNQCLSA-N 2 2 317.349 1.174 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001157915947 864257026 /nfs/dbraw/zinc/25/70/26/864257026.db2.gz HTQNRPIRLGIDIH-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP Cc1cc([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)nc1Cl ZINC001161867830 867046404 /nfs/dbraw/zinc/04/64/04/867046404.db2.gz QJMPGUOXJUFCRD-UHFFFAOYSA-N 2 2 313.789 1.787 20 5 DDBDLP C[NH2+]C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596655017 356943389 /nfs/dbraw/zinc/94/33/89/356943389.db2.gz PKKJDMVYRKUIEP-SMDDNHRTSA-N 2 2 303.366 1.615 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600681436 358281870 /nfs/dbraw/zinc/28/18/70/358281870.db2.gz HVIVTMUWIHECMU-COPLHBTASA-N 2 2 306.366 1.652 20 5 DDBDLP C[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601113000 358406726 /nfs/dbraw/zinc/40/67/26/358406726.db2.gz AOGIZRXDFQCHAN-LBPRGKRZSA-N 2 2 316.361 1.646 20 5 DDBDLP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000602594295 359060962 /nfs/dbraw/zinc/06/09/62/359060962.db2.gz RAQLUOOQOLKEPN-LBPRGKRZSA-N 2 2 307.398 1.498 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423193936 533446419 /nfs/dbraw/zinc/44/64/19/533446419.db2.gz RCQRFWBUISWOOY-WCQYABFASA-N 2 2 306.366 1.654 20 5 DDBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000179178755 407744842 /nfs/dbraw/zinc/74/48/42/407744842.db2.gz VDEKJCFCRMDAFW-LLVKDONJSA-N 2 2 315.333 1.214 20 5 DDBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000174729880 407982658 /nfs/dbraw/zinc/98/26/58/407982658.db2.gz WSVLPAGDAFIWMJ-UHFFFAOYSA-N 2 2 324.400 1.803 20 5 DDBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000174729880 407982665 /nfs/dbraw/zinc/98/26/65/407982665.db2.gz WSVLPAGDAFIWMJ-UHFFFAOYSA-N 2 2 324.400 1.803 20 5 DDBDLP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080319 408976070 /nfs/dbraw/zinc/97/60/70/408976070.db2.gz FOFQSUXVXIFLNR-ZDUSSCGKSA-N 2 2 307.394 1.875 20 5 DDBDLP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080319 408976073 /nfs/dbraw/zinc/97/60/73/408976073.db2.gz FOFQSUXVXIFLNR-ZDUSSCGKSA-N 2 2 307.394 1.875 20 5 DDBDLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604859 409760462 /nfs/dbraw/zinc/76/04/62/409760462.db2.gz FXKTZMKAVIHLED-ZDUSSCGKSA-N 2 2 316.365 1.681 20 5 DDBDLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604859 409760470 /nfs/dbraw/zinc/76/04/70/409760470.db2.gz FXKTZMKAVIHLED-ZDUSSCGKSA-N 2 2 316.365 1.681 20 5 DDBDLP CC[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494857 411031129 /nfs/dbraw/zinc/03/11/29/411031129.db2.gz GHELZFQKHSRGEV-HNNXBMFYSA-N 2 2 317.393 1.959 20 5 DDBDLP CC[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494857 411031137 /nfs/dbraw/zinc/03/11/37/411031137.db2.gz GHELZFQKHSRGEV-HNNXBMFYSA-N 2 2 317.393 1.959 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430564489 420137947 /nfs/dbraw/zinc/13/79/47/420137947.db2.gz BHZRMUFJGIGRDO-XQQFMLRXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430564489 420137950 /nfs/dbraw/zinc/13/79/50/420137950.db2.gz BHZRMUFJGIGRDO-XQQFMLRXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430564488 420139110 /nfs/dbraw/zinc/13/91/10/420139110.db2.gz BHZRMUFJGIGRDO-RWMBFGLXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430564488 420139114 /nfs/dbraw/zinc/13/91/14/420139114.db2.gz BHZRMUFJGIGRDO-RWMBFGLXSA-N 2 2 320.393 1.981 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000430636752 420167775 /nfs/dbraw/zinc/16/77/75/420167775.db2.gz JQQSAURONMLLHB-UHFFFAOYSA-N 2 2 306.366 1.527 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000430636752 420167778 /nfs/dbraw/zinc/16/77/78/420167778.db2.gz JQQSAURONMLLHB-UHFFFAOYSA-N 2 2 306.366 1.527 20 5 DDBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580064269 308577124 /nfs/dbraw/zinc/57/71/24/308577124.db2.gz SXJJYZXILAYEOY-GXTWGEPZSA-N 2 2 320.349 1.209 20 5 DDBDLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588824 698123097 /nfs/dbraw/zinc/12/30/97/698123097.db2.gz CFHPUYIXBYEGLS-BBRMVZONSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588824 698123101 /nfs/dbraw/zinc/12/31/01/698123101.db2.gz CFHPUYIXBYEGLS-BBRMVZONSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588824 698123102 /nfs/dbraw/zinc/12/31/02/698123102.db2.gz CFHPUYIXBYEGLS-BBRMVZONSA-N 2 2 307.394 1.902 20 5 DDBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588824 698123104 /nfs/dbraw/zinc/12/31/04/698123104.db2.gz CFHPUYIXBYEGLS-BBRMVZONSA-N 2 2 307.394 1.902 20 5 DDBDLP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000903076274 711025470 /nfs/dbraw/zinc/02/54/70/711025470.db2.gz MJOGSNOXBMWZDP-WFASDCNBSA-N 2 2 323.393 1.711 20 5 DDBDLP COc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158260956 864525095 /nfs/dbraw/zinc/52/50/95/864525095.db2.gz IRUHLLYOJOAKIB-LLVKDONJSA-N 2 2 321.381 1.000 20 5 DDBDLP COc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158260956 864525101 /nfs/dbraw/zinc/52/51/01/864525101.db2.gz IRUHLLYOJOAKIB-LLVKDONJSA-N 2 2 321.381 1.000 20 5 DDBDLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242083 879875028 /nfs/dbraw/zinc/87/50/28/879875028.db2.gz LCWWDTNASGXJFY-RRFJBIMHSA-N 2 2 307.394 1.947 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592486189 355596005 /nfs/dbraw/zinc/59/60/05/355596005.db2.gz YOUIANVAXQASEI-ZOWXZIJZSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592486189 355596008 /nfs/dbraw/zinc/59/60/08/355596008.db2.gz YOUIANVAXQASEI-ZOWXZIJZSA-N 2 2 320.393 1.981 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000600776744 358312983 /nfs/dbraw/zinc/31/29/83/358312983.db2.gz RMZHWFOEHNGCBC-UHFFFAOYSA-N 2 2 303.322 1.147 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000566244639 304132768 /nfs/dbraw/zinc/13/27/68/304132768.db2.gz ITNMWFNOMBUHBK-NSHDSACASA-N 2 2 322.365 1.226 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000566244639 304132769 /nfs/dbraw/zinc/13/27/69/304132769.db2.gz ITNMWFNOMBUHBK-NSHDSACASA-N 2 2 322.365 1.226 20 5 DDBDLP [NH3+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000157706850 197208538 /nfs/dbraw/zinc/20/85/38/197208538.db2.gz KLTMOJHKDSIWIW-GFCCVEGCSA-N 2 2 315.333 1.344 20 5 DDBDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298044014 410087806 /nfs/dbraw/zinc/08/78/06/410087806.db2.gz HRUMGXJZQLFYRJ-UHFFFAOYSA-N 2 2 316.365 1.088 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360561815 418464662 /nfs/dbraw/zinc/46/46/62/418464662.db2.gz KDHLEFXSBTVQEX-LRDDRELGSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360561815 418464663 /nfs/dbraw/zinc/46/46/63/418464663.db2.gz KDHLEFXSBTVQEX-LRDDRELGSA-N 2 2 318.377 1.607 20 5 DDBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651417 418888654 /nfs/dbraw/zinc/88/86/54/418888654.db2.gz VYDNMSQSNIDZPW-LBPRGKRZSA-N 2 2 304.354 1.404 20 5 DDBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651417 418888656 /nfs/dbraw/zinc/88/86/56/418888656.db2.gz VYDNMSQSNIDZPW-LBPRGKRZSA-N 2 2 304.354 1.404 20 5 DDBDLP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000414901457 419866682 /nfs/dbraw/zinc/86/66/82/419866682.db2.gz GJTITDYCXVJTJG-GFCCVEGCSA-N 2 2 309.366 1.844 20 5 DDBDLP C[N@H+](CC(C)(C)C[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430576670 420142424 /nfs/dbraw/zinc/14/24/24/420142424.db2.gz WKDJUPKJMWOIHB-CQSZACIVSA-N 2 2 320.393 1.617 20 5 DDBDLP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430576670 420142427 /nfs/dbraw/zinc/14/24/27/420142427.db2.gz WKDJUPKJMWOIHB-CQSZACIVSA-N 2 2 320.393 1.617 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430570113 420141617 /nfs/dbraw/zinc/14/16/17/420141617.db2.gz IMHYFJYQEFFBEP-HNNXBMFYSA-N 2 2 306.366 1.559 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430922026 420206351 /nfs/dbraw/zinc/20/63/51/420206351.db2.gz WULQHASNFXOCSW-UHFFFAOYSA-N 2 2 322.365 1.227 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430922026 420206354 /nfs/dbraw/zinc/20/63/54/420206354.db2.gz WULQHASNFXOCSW-UHFFFAOYSA-N 2 2 322.365 1.227 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767504 420711596 /nfs/dbraw/zinc/71/15/96/420711596.db2.gz RASQXNCCOZMIMB-GRYCIOLGSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767504 420711598 /nfs/dbraw/zinc/71/15/98/420711598.db2.gz RASQXNCCOZMIMB-GRYCIOLGSA-N 2 2 306.366 1.591 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442794722 420716850 /nfs/dbraw/zinc/71/68/50/420716850.db2.gz UDNVQEPUVTXOJG-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442794722 420716852 /nfs/dbraw/zinc/71/68/52/420716852.db2.gz UDNVQEPUVTXOJG-WDEREUQCSA-N 2 2 322.365 1.211 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385835 421002446 /nfs/dbraw/zinc/00/24/46/421002446.db2.gz GVKNBPFMVLSPEX-ZBFHGGJFSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385835 421002450 /nfs/dbraw/zinc/00/24/50/421002450.db2.gz GVKNBPFMVLSPEX-ZBFHGGJFSA-N 2 2 321.421 1.962 20 5 DDBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000518050791 421637076 /nfs/dbraw/zinc/63/70/76/421637076.db2.gz JMANPMHHOFQUHR-UHFFFAOYSA-N 2 2 317.349 1.519 20 5 DDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572420035 421785158 /nfs/dbraw/zinc/78/51/58/421785158.db2.gz GYKKWDQJGVKQNX-ZYHUDNBSSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572420035 421785163 /nfs/dbraw/zinc/78/51/63/421785163.db2.gz GYKKWDQJGVKQNX-ZYHUDNBSSA-N 2 2 317.349 1.956 20 5 DDBDLP [NH3+]C1(C[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCC1 ZINC000342109305 271300070 /nfs/dbraw/zinc/30/00/70/271300070.db2.gz RFTCFWLYGXBMEJ-ZDUSSCGKSA-N 2 2 304.350 1.171 20 5 DDBDLP [NH3+]C1CC[NH+](Cc2nc(-c3cc([N+](=O)[O-])c[nH]3)cs2)CC1 ZINC000434659663 534568065 /nfs/dbraw/zinc/56/80/65/534568065.db2.gz SSCBZSFONYRLBK-UHFFFAOYSA-N 2 2 307.379 1.970 20 5 DDBDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788563811 699324309 /nfs/dbraw/zinc/32/43/09/699324309.db2.gz NWJPDLPOPIKBCY-LBPRGKRZSA-N 2 2 322.409 1.938 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000818959295 704035527 /nfs/dbraw/zinc/03/55/27/704035527.db2.gz HQCBESFHOLHNNH-BZUAXINKSA-N 2 2 305.378 1.845 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000818959295 704035529 /nfs/dbraw/zinc/03/55/29/704035529.db2.gz HQCBESFHOLHNNH-BZUAXINKSA-N 2 2 305.378 1.845 20 5 DDBDLP COc1c(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000904420169 711855530 /nfs/dbraw/zinc/85/55/30/711855530.db2.gz FHJRIZKADHDCBB-CMPLNLGQSA-N 2 2 307.350 1.350 20 5 DDBDLP COc1c(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000904420169 711855531 /nfs/dbraw/zinc/85/55/31/711855531.db2.gz FHJRIZKADHDCBB-CMPLNLGQSA-N 2 2 307.350 1.350 20 5 DDBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931277557 714055050 /nfs/dbraw/zinc/05/50/50/714055050.db2.gz LJTHJWLNFSXCDL-ATCWAGBWSA-N 2 2 318.377 1.415 20 5 DDBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931277557 714055053 /nfs/dbraw/zinc/05/50/53/714055053.db2.gz LJTHJWLNFSXCDL-ATCWAGBWSA-N 2 2 318.377 1.415 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172897658 776913997 /nfs/dbraw/zinc/91/39/97/776913997.db2.gz CBCKYDDUNANFFP-GOEBONIOSA-N 2 2 305.378 1.502 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172897658 776914003 /nfs/dbraw/zinc/91/40/03/776914003.db2.gz CBCKYDDUNANFFP-GOEBONIOSA-N 2 2 305.378 1.502 20 5 DDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000589499951 354997104 /nfs/dbraw/zinc/99/71/04/354997104.db2.gz LSAOMFLDLGDMJM-GFCCVEGCSA-N 2 2 321.377 1.765 20 5 DDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000589499951 354997107 /nfs/dbraw/zinc/99/71/07/354997107.db2.gz LSAOMFLDLGDMJM-GFCCVEGCSA-N 2 2 321.377 1.765 20 5 DDBDLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592473655 355592621 /nfs/dbraw/zinc/59/26/21/355592621.db2.gz MFASMVSKQHNPEA-UHFFFAOYSA-N 2 2 300.746 1.467 20 5 DDBDLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592473655 355592624 /nfs/dbraw/zinc/59/26/24/355592624.db2.gz MFASMVSKQHNPEA-UHFFFAOYSA-N 2 2 300.746 1.467 20 5 DDBDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067269 356760132 /nfs/dbraw/zinc/76/01/32/356760132.db2.gz YGPNBXUNMFOTCT-KGLIPLIRSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067269 356760135 /nfs/dbraw/zinc/76/01/35/356760135.db2.gz YGPNBXUNMFOTCT-KGLIPLIRSA-N 2 2 323.393 1.408 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596453974 356884557 /nfs/dbraw/zinc/88/45/57/356884557.db2.gz PEVXALXNJIDNJV-UHFFFAOYSA-N 2 2 323.397 1.600 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596453974 356884560 /nfs/dbraw/zinc/88/45/60/356884560.db2.gz PEVXALXNJIDNJV-UHFFFAOYSA-N 2 2 323.397 1.600 20 5 DDBDLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000610271197 360404786 /nfs/dbraw/zinc/40/47/86/360404786.db2.gz JWMXABVBMAZRSW-WCQYABFASA-N 2 2 321.377 1.938 20 5 DDBDLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000610271197 360404791 /nfs/dbraw/zinc/40/47/91/360404791.db2.gz JWMXABVBMAZRSW-WCQYABFASA-N 2 2 321.377 1.938 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000350016995 284133052 /nfs/dbraw/zinc/13/30/52/284133052.db2.gz SWFYXVNTHQZPBR-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000350016995 284133054 /nfs/dbraw/zinc/13/30/54/284133054.db2.gz SWFYXVNTHQZPBR-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP C[C@H](CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353511967 285777822 /nfs/dbraw/zinc/77/78/22/285777822.db2.gz BXQMNSFPYRNQRZ-IUODEOHRSA-N 2 2 317.393 1.957 20 5 DDBDLP C[C@]1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000261892649 407657597 /nfs/dbraw/zinc/65/75/97/407657597.db2.gz UGXWMYRFKRVXKC-INIZCTEOSA-N 2 2 304.394 1.716 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860632 410296730 /nfs/dbraw/zinc/29/67/30/410296730.db2.gz GXRSMCQNTIQCFS-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351860632 410296739 /nfs/dbraw/zinc/29/67/39/410296739.db2.gz GXRSMCQNTIQCFS-NWDGAFQWSA-N 2 2 306.366 1.511 20 5 DDBDLP COc1ccc(OCC[N@H+](C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359876340 410929099 /nfs/dbraw/zinc/92/90/99/410929099.db2.gz LHIUZTZSJVCCAD-AWEZNQCLSA-N 2 2 309.366 1.651 20 5 DDBDLP COc1ccc(OCC[N@@H+](C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000359876340 410929105 /nfs/dbraw/zinc/92/91/05/410929105.db2.gz LHIUZTZSJVCCAD-AWEZNQCLSA-N 2 2 309.366 1.651 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129540037 196056154 /nfs/dbraw/zinc/05/61/54/196056154.db2.gz WDNFHIONDOKXGO-MRXNPFEDSA-N 2 2 319.405 1.791 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129540037 196056156 /nfs/dbraw/zinc/05/61/56/196056156.db2.gz WDNFHIONDOKXGO-MRXNPFEDSA-N 2 2 319.405 1.791 20 5 DDBDLP C[NH2+]C[C@H](C)CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423273563 420001896 /nfs/dbraw/zinc/00/18/96/420001896.db2.gz LCSSKPMWICCROM-WFASDCNBSA-N 2 2 317.393 1.863 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423492143 420059700 /nfs/dbraw/zinc/05/97/00/420059700.db2.gz LWOWDBGALJZDJX-ZBFHGGJFSA-N 2 2 305.378 1.940 20 5 DDBDLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430611867 420157103 /nfs/dbraw/zinc/15/71/03/420157103.db2.gz PWFSUUUXGJHTQE-LBPRGKRZSA-N 2 2 306.366 1.526 20 5 DDBDLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430611867 420157108 /nfs/dbraw/zinc/15/71/08/420157108.db2.gz PWFSUUUXGJHTQE-LBPRGKRZSA-N 2 2 306.366 1.526 20 5 DDBDLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000581305270 421944492 /nfs/dbraw/zinc/94/44/92/421944492.db2.gz AZIQFOHCQNXVRL-GFCCVEGCSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000581305270 421944495 /nfs/dbraw/zinc/94/44/95/421944495.db2.gz AZIQFOHCQNXVRL-GFCCVEGCSA-N 2 2 320.393 1.996 20 5 DDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517860 277116190 /nfs/dbraw/zinc/11/61/90/277116190.db2.gz OJFZKFMBVPZIDI-ZBFHGGJFSA-N 2 2 304.394 1.465 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000430552418 277278709 /nfs/dbraw/zinc/27/87/09/277278709.db2.gz BGSHHXKFCGVSSO-AWEZNQCLSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000430552418 277278710 /nfs/dbraw/zinc/27/87/10/277278710.db2.gz BGSHHXKFCGVSSO-AWEZNQCLSA-N 2 2 320.393 1.916 20 5 DDBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000563419475 307969687 /nfs/dbraw/zinc/96/96/87/307969687.db2.gz WQOABPKQSLKQTC-IUODEOHRSA-N 2 2 305.378 1.628 20 5 DDBDLP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000873251847 707786171 /nfs/dbraw/zinc/78/61/71/707786171.db2.gz LVJODEQCTFBPRN-HOTGVXAUSA-N 2 2 305.378 1.760 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)OCCO2 ZINC000904421250 711855817 /nfs/dbraw/zinc/85/58/17/711855817.db2.gz VPZCKUKRTWHFAF-WCQYABFASA-N 2 2 319.361 1.407 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)OCCO2 ZINC000904421250 711855818 /nfs/dbraw/zinc/85/58/18/711855818.db2.gz VPZCKUKRTWHFAF-WCQYABFASA-N 2 2 319.361 1.407 20 5 DDBDLP CC(=O)Nc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001168740443 748723332 /nfs/dbraw/zinc/72/33/32/748723332.db2.gz JPJUSTWXAQJJJQ-UHFFFAOYSA-N 2 2 320.353 1.147 20 5 DDBDLP CC[N+](C)(C)Cc1ccccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074591 762222632 /nfs/dbraw/zinc/22/26/32/762222632.db2.gz SWUFPZCBECMTIF-OAHLLOKOSA-N 3 2 303.430 1.331 20 5 DDBDLP C[C@@H](C[NH3+])C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313202 295892446 /nfs/dbraw/zinc/89/24/46/295892446.db2.gz WJMJQOFMRIFMPD-FZMZJTMJSA-N 2 2 303.366 1.602 20 5 DDBDLP COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000494405216 235032314 /nfs/dbraw/zinc/03/23/14/235032314.db2.gz MHEJWOKFSGJMIS-GFCCVEGCSA-N 2 2 302.334 1.905 20 5 DDBDLP Cc1[nH+]cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000597115653 357065313 /nfs/dbraw/zinc/06/53/13/357065313.db2.gz AMKBZEZCEAWEOP-UHFFFAOYSA-N 2 2 304.354 1.670 20 5 DDBDLP O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611170468 360644277 /nfs/dbraw/zinc/64/42/77/360644277.db2.gz MGOUAHDKYKVXRI-STQMWFEESA-N 2 2 314.345 1.901 20 5 DDBDLP CC[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264891089 204243110 /nfs/dbraw/zinc/24/31/10/204243110.db2.gz JTOKDMFWGCSYPG-UHFFFAOYSA-N 2 2 317.349 1.462 20 5 DDBDLP CC[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264891089 204243115 /nfs/dbraw/zinc/24/31/15/204243115.db2.gz JTOKDMFWGCSYPG-UHFFFAOYSA-N 2 2 317.349 1.462 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351478012 284331465 /nfs/dbraw/zinc/33/14/65/284331465.db2.gz OIQCYLRTANVBEA-PKIAMQTDSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351478012 284331469 /nfs/dbraw/zinc/33/14/69/284331469.db2.gz OIQCYLRTANVBEA-PKIAMQTDSA-N 2 2 318.377 1.591 20 5 DDBDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414130157 224302753 /nfs/dbraw/zinc/30/27/53/224302753.db2.gz WOOVTDOBDSNDOQ-KGLIPLIRSA-N 2 2 318.381 1.841 20 5 DDBDLP COC(=O)COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000261652329 407569027 /nfs/dbraw/zinc/56/90/27/407569027.db2.gz BDLIQIMREVQNFV-UHFFFAOYSA-N 2 2 323.349 1.070 20 5 DDBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)nc1 ZINC000183190417 408348091 /nfs/dbraw/zinc/34/80/91/408348091.db2.gz MLOLLJIUQJUKTM-ZDUSSCGKSA-N 2 2 316.365 1.763 20 5 DDBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)nc1 ZINC000183190417 408348093 /nfs/dbraw/zinc/34/80/93/408348093.db2.gz MLOLLJIUQJUKTM-ZDUSSCGKSA-N 2 2 316.365 1.763 20 5 DDBDLP C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000247658923 408501024 /nfs/dbraw/zinc/50/10/24/408501024.db2.gz XHRZIOTYENHYSJ-TZMCWYRMSA-N 2 2 304.354 1.571 20 5 DDBDLP C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000247658923 408501030 /nfs/dbraw/zinc/50/10/30/408501030.db2.gz XHRZIOTYENHYSJ-TZMCWYRMSA-N 2 2 304.354 1.571 20 5 DDBDLP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488442 420060089 /nfs/dbraw/zinc/06/00/89/420060089.db2.gz YYRCHESTAFPLAW-HOTGVXAUSA-N 2 2 306.410 1.929 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939900 420214316 /nfs/dbraw/zinc/21/43/16/420214316.db2.gz MUPRRTFZPZERRG-SUNKGSAMSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939900 420214321 /nfs/dbraw/zinc/21/43/21/420214321.db2.gz MUPRRTFZPZERRG-SUNKGSAMSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420363791 420237925 /nfs/dbraw/zinc/23/79/25/420237925.db2.gz JUBSTICJFLLSIG-JUFZMCDQSA-N 2 2 320.393 1.898 20 5 DDBDLP C[NH2+]CC[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420338803 420220173 /nfs/dbraw/zinc/22/01/73/420220173.db2.gz PBQVIZCIBBBVPH-UHFFFAOYSA-N 2 2 308.338 1.044 20 5 DDBDLP C[NH2+]CC[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420338803 420220175 /nfs/dbraw/zinc/22/01/75/420220175.db2.gz PBQVIZCIBBBVPH-UHFFFAOYSA-N 2 2 308.338 1.044 20 5 DDBDLP CC[NH+](CC)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548826139 421477139 /nfs/dbraw/zinc/47/71/39/421477139.db2.gz WPDBKAUJVIOPFH-UHFFFAOYSA-N 2 2 308.382 1.855 20 5 DDBDLP COc1ccc(NC(=O)C[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342135897 271313212 /nfs/dbraw/zinc/31/32/12/271313212.db2.gz LRQRKLRUARXUJX-UHFFFAOYSA-N 2 2 308.338 1.013 20 5 DDBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370167170 301288046 /nfs/dbraw/zinc/28/80/46/301288046.db2.gz KKUIKBGUGLPTHH-GFCCVEGCSA-N 2 2 304.354 1.498 20 5 DDBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370167170 301288048 /nfs/dbraw/zinc/28/80/48/301288048.db2.gz KKUIKBGUGLPTHH-GFCCVEGCSA-N 2 2 304.354 1.498 20 5 DDBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420357889 302384405 /nfs/dbraw/zinc/38/44/05/302384405.db2.gz IBKMOXJWJPBNJG-AWEZNQCLSA-N 2 2 320.393 1.447 20 5 DDBDLP O=C(CC[NH2+]CCCn1cc[nH+]c1)Nc1ccccc1[N+](=O)[O-] ZINC000558573443 303775075 /nfs/dbraw/zinc/77/50/75/303775075.db2.gz WSCBGVHDTXDCQO-UHFFFAOYSA-N 2 2 317.349 1.800 20 5 DDBDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000565299772 308027563 /nfs/dbraw/zinc/02/75/63/308027563.db2.gz LGJFEVQOWUHJGV-IOASZLSFSA-N 2 2 323.393 1.155 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1O ZINC000494413622 533909352 /nfs/dbraw/zinc/90/93/52/533909352.db2.gz NKQJGFWZCAICSE-NSHDSACASA-N 2 2 318.333 1.610 20 5 DDBDLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154148 711049798 /nfs/dbraw/zinc/04/97/98/711049798.db2.gz TVNDCMKFHJZYMU-XHDPSFHLSA-N 2 2 309.366 1.321 20 5 DDBDLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154148 711049801 /nfs/dbraw/zinc/04/98/01/711049801.db2.gz TVNDCMKFHJZYMU-XHDPSFHLSA-N 2 2 309.366 1.321 20 5 DDBDLP C[NH2+]CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000903572547 711203218 /nfs/dbraw/zinc/20/32/18/711203218.db2.gz WNWHGGHUAXGTAQ-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP C[NH2+]CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000903572547 711203219 /nfs/dbraw/zinc/20/32/19/711203219.db2.gz WNWHGGHUAXGTAQ-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP C[C@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC[NH2+]C1 ZINC000904307540 711839493 /nfs/dbraw/zinc/83/94/93/711839493.db2.gz CUHDPGZHGWVMRI-INIZCTEOSA-N 2 2 319.409 1.502 20 5 DDBDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[N+](=O)[O-] ZINC000929806748 713694217 /nfs/dbraw/zinc/69/42/17/713694217.db2.gz SMZVUXWBWMYNPD-UHFFFAOYSA-N 3 2 312.458 1.391 20 5 DDBDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[N+](=O)[O-] ZINC000929806748 713694219 /nfs/dbraw/zinc/69/42/19/713694219.db2.gz SMZVUXWBWMYNPD-UHFFFAOYSA-N 3 2 312.458 1.391 20 5 DDBDLP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735323 714658557 /nfs/dbraw/zinc/65/85/57/714658557.db2.gz HFXIGNMSBPRNSW-KBMXLJTQSA-N 2 2 305.378 1.512 20 5 DDBDLP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735323 714658560 /nfs/dbraw/zinc/65/85/60/714658560.db2.gz HFXIGNMSBPRNSW-KBMXLJTQSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735323 714658562 /nfs/dbraw/zinc/65/85/62/714658562.db2.gz HFXIGNMSBPRNSW-KBMXLJTQSA-N 2 2 305.378 1.512 20 5 DDBDLP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735323 714658564 /nfs/dbraw/zinc/65/85/64/714658564.db2.gz HFXIGNMSBPRNSW-KBMXLJTQSA-N 2 2 305.378 1.512 20 5 DDBDLP CCC[N@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551565 185302715 /nfs/dbraw/zinc/30/27/15/185302715.db2.gz OZQOCNDWGACBQT-CQSZACIVSA-N 2 2 322.409 1.420 20 5 DDBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551565 185302716 /nfs/dbraw/zinc/30/27/16/185302716.db2.gz OZQOCNDWGACBQT-CQSZACIVSA-N 2 2 322.409 1.420 20 5 DDBDLP CCC[NH+](C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551565 185302717 /nfs/dbraw/zinc/30/27/17/185302717.db2.gz OZQOCNDWGACBQT-CQSZACIVSA-N 2 2 322.409 1.420 20 5 DDBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551565 185302718 /nfs/dbraw/zinc/30/27/18/185302718.db2.gz OZQOCNDWGACBQT-CQSZACIVSA-N 2 2 322.409 1.420 20 5 DDBDLP O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000272969533 282318848 /nfs/dbraw/zinc/31/88/48/282318848.db2.gz BGRUMOKWBIXAOZ-LLVKDONJSA-N 2 2 315.333 1.120 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857525 304020299 /nfs/dbraw/zinc/02/02/99/304020299.db2.gz UZJZFFIHFUNTII-STQMWFEESA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857525 304020300 /nfs/dbraw/zinc/02/03/00/304020300.db2.gz UZJZFFIHFUNTII-STQMWFEESA-N 2 2 309.366 1.018 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428840 355580051 /nfs/dbraw/zinc/58/00/51/355580051.db2.gz ZJFIWVQHBZUGDD-WDEREUQCSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428840 355580053 /nfs/dbraw/zinc/58/00/53/355580053.db2.gz ZJFIWVQHBZUGDD-WDEREUQCSA-N 2 2 307.350 1.535 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123074 356781381 /nfs/dbraw/zinc/78/13/81/356781381.db2.gz MJUZAAZTHXYMEL-LLVKDONJSA-N 2 2 321.381 1.276 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123074 356781384 /nfs/dbraw/zinc/78/13/84/356781384.db2.gz MJUZAAZTHXYMEL-LLVKDONJSA-N 2 2 321.381 1.276 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596425158 356875563 /nfs/dbraw/zinc/87/55/63/356875563.db2.gz NMIQDEAIRHCSNL-UHFFFAOYSA-N 2 2 315.805 1.939 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596425158 356875565 /nfs/dbraw/zinc/87/55/65/356875565.db2.gz NMIQDEAIRHCSNL-UHFFFAOYSA-N 2 2 315.805 1.939 20 5 DDBDLP C[C@@](CO)([NH2+]CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000602961529 359324176 /nfs/dbraw/zinc/32/41/76/359324176.db2.gz BHDUKAPHUGTZFL-HNNXBMFYSA-N 2 2 304.350 1.679 20 5 DDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC[NH+]2CCCC2)n1 ZINC000447522442 285169788 /nfs/dbraw/zinc/16/97/88/285169788.db2.gz YRSXBJKYRKTBIX-KGLIPLIRSA-N 2 2 307.398 1.960 20 5 DDBDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124412113 407357964 /nfs/dbraw/zinc/35/79/64/407357964.db2.gz CZPISMWPQZIFMH-UHFFFAOYSA-N 2 2 317.349 1.752 20 5 DDBDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124412113 407357965 /nfs/dbraw/zinc/35/79/65/407357965.db2.gz CZPISMWPQZIFMH-UHFFFAOYSA-N 2 2 317.349 1.752 20 5 DDBDLP C[C@@H](CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272497369 407948917 /nfs/dbraw/zinc/94/89/17/407948917.db2.gz GCIVIFJGOIUMCO-WFASDCNBSA-N 2 2 317.393 1.957 20 5 DDBDLP C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272497367 407950233 /nfs/dbraw/zinc/95/02/33/407950233.db2.gz GCIVIFJGOIUMCO-SWLSCSKDSA-N 2 2 317.393 1.957 20 5 DDBDLP C[C@H](CCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295199979 409371728 /nfs/dbraw/zinc/37/17/28/409371728.db2.gz KBGRDOJXRIEWFF-LLVKDONJSA-N 2 2 317.349 1.638 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679902 410874062 /nfs/dbraw/zinc/87/40/62/410874062.db2.gz YESWMKLXPYYBOU-CMPLNLGQSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679902 410874068 /nfs/dbraw/zinc/87/40/68/410874068.db2.gz YESWMKLXPYYBOU-CMPLNLGQSA-N 2 2 309.366 1.881 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000580647051 422945973 /nfs/dbraw/zinc/94/59/73/422945973.db2.gz YEYZXQJXZIXRFM-LLVKDONJSA-N 2 2 317.349 1.816 20 5 DDBDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000580647051 422945975 /nfs/dbraw/zinc/94/59/75/422945975.db2.gz YEYZXQJXZIXRFM-LLVKDONJSA-N 2 2 317.349 1.816 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423550557 420079382 /nfs/dbraw/zinc/07/93/82/420079382.db2.gz FQCURCUGPJNMRL-DGCLKSJQSA-N 2 2 309.366 1.633 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430570114 420141482 /nfs/dbraw/zinc/14/14/82/420141482.db2.gz IMHYFJYQEFFBEP-OAHLLOKOSA-N 2 2 306.366 1.559 20 5 DDBDLP COc1ccc(OCC[N@H+](C)C2(C[NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000420319847 420204603 /nfs/dbraw/zinc/20/46/03/420204603.db2.gz APOCPEDWWGMDON-UHFFFAOYSA-N 2 2 309.366 1.795 20 5 DDBDLP COc1ccc(OCC[N@@H+](C)C2(C[NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000420319847 420204607 /nfs/dbraw/zinc/20/46/07/420204607.db2.gz APOCPEDWWGMDON-UHFFFAOYSA-N 2 2 309.366 1.795 20 5 DDBDLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420373534 420245333 /nfs/dbraw/zinc/24/53/33/420245333.db2.gz RHJIDAQATKSXID-OZTPJHRESA-N 2 2 320.393 1.898 20 5 DDBDLP CN(CC[NH+](C)C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811105 420804842 /nfs/dbraw/zinc/80/48/42/420804842.db2.gz COSNFKQEHASZCY-UHFFFAOYSA-N 2 2 322.409 1.425 20 5 DDBDLP C[NH2+]C[C@@H](C)CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423273561 277026318 /nfs/dbraw/zinc/02/63/18/277026318.db2.gz LCSSKPMWICCROM-IUODEOHRSA-N 2 2 317.393 1.863 20 5 DDBDLP COc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422951212 533697776 /nfs/dbraw/zinc/69/77/76/533697776.db2.gz ZWAARSCEDWYBJX-YPMHNXCESA-N 2 2 309.366 1.460 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819244436 704093983 /nfs/dbraw/zinc/09/39/83/704093983.db2.gz KGODXMUJGXFXQW-OCCSQVGLSA-N 2 2 302.334 1.429 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000819321971 704107328 /nfs/dbraw/zinc/10/73/28/704107328.db2.gz OGRPXRRHNZKITM-NHYWBVRUSA-N 2 2 302.334 1.498 20 5 DDBDLP CC1CC[NH+](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876932784 705929573 /nfs/dbraw/zinc/92/95/73/705929573.db2.gz WLMUHMZGNFBMNV-UHFFFAOYSA-N 2 2 307.398 1.816 20 5 DDBDLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167355585 733282314 /nfs/dbraw/zinc/28/23/14/733282314.db2.gz QQVIMNIVWBIRPP-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP COc1c(F)cc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001168736457 748463974 /nfs/dbraw/zinc/46/39/74/748463974.db2.gz HHQZNERXJLHIQN-UHFFFAOYSA-N 2 2 311.317 1.337 20 5 DDBDLP Cc1nc(Cl)c([N+](=O)[O-])c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155053269 861683441 /nfs/dbraw/zinc/68/34/41/861683441.db2.gz LPTOBKRQRWOFBP-UHFFFAOYSA-N 2 2 322.756 1.999 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001156176087 862777787 /nfs/dbraw/zinc/77/77/87/862777787.db2.gz JJHLUCRLVYIWGH-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591279355 355276992 /nfs/dbraw/zinc/27/69/92/355276992.db2.gz MUIZNVXEDLUKHB-CMPLNLGQSA-N 2 2 307.350 1.454 20 5 DDBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)CC1 ZINC000595315303 356446634 /nfs/dbraw/zinc/44/66/34/356446634.db2.gz ZYQJMFIVSKJVLR-ZDUSSCGKSA-N 2 2 323.397 1.103 20 5 DDBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)CC1 ZINC000595315303 356446637 /nfs/dbraw/zinc/44/66/37/356446637.db2.gz ZYQJMFIVSKJVLR-ZDUSSCGKSA-N 2 2 323.397 1.103 20 5 DDBDLP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000347185882 283202552 /nfs/dbraw/zinc/20/25/52/283202552.db2.gz YTRRAJWIMQOOLB-UHFFFAOYSA-N 2 2 309.366 1.796 20 5 DDBDLP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000347185882 283202554 /nfs/dbraw/zinc/20/25/54/283202554.db2.gz YTRRAJWIMQOOLB-UHFFFAOYSA-N 2 2 309.366 1.796 20 5 DDBDLP COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681743 357684770 /nfs/dbraw/zinc/68/47/70/357684770.db2.gz JIJPDRJQEQHHBW-BLLLJJGKSA-N 2 2 321.377 1.795 20 5 DDBDLP COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681743 357684773 /nfs/dbraw/zinc/68/47/73/357684773.db2.gz JIJPDRJQEQHHBW-BLLLJJGKSA-N 2 2 321.377 1.795 20 5 DDBDLP C[N@@H+]1CC[C@](O)(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599064838 357806091 /nfs/dbraw/zinc/80/60/91/357806091.db2.gz FONYJIVDEMXNFT-HNNXBMFYSA-N 2 2 302.334 1.622 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000600745342 358305361 /nfs/dbraw/zinc/30/53/61/358305361.db2.gz FMQIPEJSSFHDQL-IYBDPMFKSA-N 2 2 305.378 1.905 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000600745342 358305363 /nfs/dbraw/zinc/30/53/63/358305363.db2.gz FMQIPEJSSFHDQL-IYBDPMFKSA-N 2 2 305.378 1.905 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963070 359326174 /nfs/dbraw/zinc/32/61/74/359326174.db2.gz SUXQZCXHFSPJPB-ZBFHGGJFSA-N 2 2 307.394 1.876 20 5 DDBDLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963070 359326177 /nfs/dbraw/zinc/32/61/77/359326177.db2.gz SUXQZCXHFSPJPB-ZBFHGGJFSA-N 2 2 307.394 1.876 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611185064 360652929 /nfs/dbraw/zinc/65/29/29/360652929.db2.gz HAEWWYZKLCMALE-ZDUSSCGKSA-N 2 2 317.349 1.290 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611185064 360652934 /nfs/dbraw/zinc/65/29/34/360652934.db2.gz HAEWWYZKLCMALE-ZDUSSCGKSA-N 2 2 317.349 1.290 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561808 418465113 /nfs/dbraw/zinc/46/51/13/418465113.db2.gz KDHLEFXSBTVQEX-BLLLJJGKSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561808 418465116 /nfs/dbraw/zinc/46/51/16/418465116.db2.gz KDHLEFXSBTVQEX-BLLLJJGKSA-N 2 2 318.377 1.607 20 5 DDBDLP CCOc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000373913784 418472454 /nfs/dbraw/zinc/47/24/54/418472454.db2.gz VTLVLLAMHVAYOQ-OKILXGFUSA-N 2 2 305.378 1.987 20 5 DDBDLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000373913784 418472455 /nfs/dbraw/zinc/47/24/55/418472455.db2.gz VTLVLLAMHVAYOQ-OKILXGFUSA-N 2 2 305.378 1.987 20 5 DDBDLP CCOc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000373913784 418472458 /nfs/dbraw/zinc/47/24/58/418472458.db2.gz VTLVLLAMHVAYOQ-OKILXGFUSA-N 2 2 305.378 1.987 20 5 DDBDLP CCOc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000373913784 418472461 /nfs/dbraw/zinc/47/24/61/418472461.db2.gz VTLVLLAMHVAYOQ-OKILXGFUSA-N 2 2 305.378 1.987 20 5 DDBDLP C[C@H]([NH3+])[C@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423457882 420055508 /nfs/dbraw/zinc/05/55/08/420055508.db2.gz GHIXHQJDIRQJIG-COPLHBTASA-N 2 2 303.366 1.743 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930719 420210206 /nfs/dbraw/zinc/21/02/06/420210206.db2.gz BUMSEVCOLCYLGO-NEPJUHHUSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930719 420210210 /nfs/dbraw/zinc/21/02/10/420210210.db2.gz BUMSEVCOLCYLGO-NEPJUHHUSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430602879 420154434 /nfs/dbraw/zinc/15/44/34/420154434.db2.gz MKPQDUUCUIBJHZ-ZDUSSCGKSA-N 2 2 323.393 1.914 20 5 DDBDLP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430602879 420154438 /nfs/dbraw/zinc/15/44/38/420154438.db2.gz MKPQDUUCUIBJHZ-ZDUSSCGKSA-N 2 2 323.393 1.914 20 5 DDBDLP C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448561042 420863161 /nfs/dbraw/zinc/86/31/61/420863161.db2.gz DPTVQMDJCHOOLH-UHFFFAOYSA-N 2 2 317.349 1.462 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574424179 422106755 /nfs/dbraw/zinc/10/67/55/422106755.db2.gz MTMFTWHEGOXZKP-GFCCVEGCSA-N 2 2 321.381 1.318 20 5 DDBDLP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574424179 422106759 /nfs/dbraw/zinc/10/67/59/422106759.db2.gz MTMFTWHEGOXZKP-GFCCVEGCSA-N 2 2 321.381 1.318 20 5 DDBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261985637 275035872 /nfs/dbraw/zinc/03/58/72/275035872.db2.gz AVSYJSYOSOPZQI-AWEZNQCLSA-N 2 2 308.357 1.213 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000370045975 301265175 /nfs/dbraw/zinc/26/51/75/301265175.db2.gz OYQAFRJLKFVDQA-LBPRGKRZSA-N 2 2 316.365 1.657 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000370045975 301265178 /nfs/dbraw/zinc/26/51/78/301265178.db2.gz OYQAFRJLKFVDQA-LBPRGKRZSA-N 2 2 316.365 1.657 20 5 DDBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420357891 302384210 /nfs/dbraw/zinc/38/42/10/302384210.db2.gz IBKMOXJWJPBNJG-CQSZACIVSA-N 2 2 320.393 1.447 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061703 702810715 /nfs/dbraw/zinc/81/07/15/702810715.db2.gz HKAGICAJLDDELP-CVEARBPZSA-N 2 2 323.393 1.065 20 5 DDBDLP C[NH+](C)CCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102022 707841167 /nfs/dbraw/zinc/84/11/67/707841167.db2.gz MZVJDVNHLPBPPE-UHFFFAOYSA-N 2 2 318.333 1.889 20 5 DDBDLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095197 714000304 /nfs/dbraw/zinc/00/03/04/714000304.db2.gz WYCXBPYDMUSYFA-HNNXBMFYSA-N 2 2 308.382 1.263 20 5 DDBDLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095197 714000308 /nfs/dbraw/zinc/00/03/08/714000308.db2.gz WYCXBPYDMUSYFA-HNNXBMFYSA-N 2 2 308.382 1.263 20 5 DDBDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095197 714000312 /nfs/dbraw/zinc/00/03/12/714000312.db2.gz WYCXBPYDMUSYFA-HNNXBMFYSA-N 2 2 308.382 1.263 20 5 DDBDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095197 714000315 /nfs/dbraw/zinc/00/03/15/714000315.db2.gz WYCXBPYDMUSYFA-HNNXBMFYSA-N 2 2 308.382 1.263 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C[C@@H]3F)CC2)cc1 ZINC001246085801 892408346 /nfs/dbraw/zinc/40/83/46/892408346.db2.gz IZMYRNDSEVCMNT-HOTGVXAUSA-N 2 2 322.384 1.853 20 5 DDBDLP C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC001262562559 900245670 /nfs/dbraw/zinc/24/56/70/900245670.db2.gz DZFCCXBRPPIPQB-WFASDCNBSA-N 2 2 304.350 1.751 20 5 DDBDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000592181871 355526775 /nfs/dbraw/zinc/52/67/75/355526775.db2.gz IRNCQLMRJLBRHV-UHFFFAOYSA-N 2 2 305.378 1.891 20 5 DDBDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000592181871 355526780 /nfs/dbraw/zinc/52/67/80/355526780.db2.gz IRNCQLMRJLBRHV-UHFFFAOYSA-N 2 2 305.378 1.891 20 5 DDBDLP COCC[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100999 358401937 /nfs/dbraw/zinc/40/19/37/358401937.db2.gz JQITWFZUGLRYHB-UHFFFAOYSA-N 2 2 316.361 1.911 20 5 DDBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000601150110 358422705 /nfs/dbraw/zinc/42/27/05/358422705.db2.gz WHPMIOILKLYEPC-GFCCVEGCSA-N 2 2 316.361 1.646 20 5 DDBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000601150110 358422709 /nfs/dbraw/zinc/42/27/09/358422709.db2.gz WHPMIOILKLYEPC-GFCCVEGCSA-N 2 2 316.361 1.646 20 5 DDBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602534690 359032093 /nfs/dbraw/zinc/03/20/93/359032093.db2.gz JGUFLMYEMAVPIG-MRXNPFEDSA-N 2 2 307.394 1.838 20 5 DDBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602534690 359032095 /nfs/dbraw/zinc/03/20/95/359032095.db2.gz JGUFLMYEMAVPIG-MRXNPFEDSA-N 2 2 307.394 1.838 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000610804204 360540860 /nfs/dbraw/zinc/54/08/60/360540860.db2.gz UAGUUBGAHRGGOF-GXTWGEPZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000610804204 360540865 /nfs/dbraw/zinc/54/08/65/360540865.db2.gz UAGUUBGAHRGGOF-GXTWGEPZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123191215 407321576 /nfs/dbraw/zinc/32/15/76/407321576.db2.gz LUXHWLWXCDWBQL-BXUZGUMPSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123191215 407321579 /nfs/dbraw/zinc/32/15/79/407321579.db2.gz LUXHWLWXCDWBQL-BXUZGUMPSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+]1C ZINC000123191215 407321581 /nfs/dbraw/zinc/32/15/81/407321581.db2.gz LUXHWLWXCDWBQL-BXUZGUMPSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+]1C ZINC000123191215 407321583 /nfs/dbraw/zinc/32/15/83/407321583.db2.gz LUXHWLWXCDWBQL-BXUZGUMPSA-N 2 2 320.393 1.608 20 5 DDBDLP COc1ccc(OCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193616232 163260764 /nfs/dbraw/zinc/26/07/64/163260764.db2.gz ZQFYYQHACDCLDW-BETUJISGSA-N 2 2 321.377 1.476 20 5 DDBDLP COc1ccc(OCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193616232 163260767 /nfs/dbraw/zinc/26/07/67/163260767.db2.gz ZQFYYQHACDCLDW-BETUJISGSA-N 2 2 321.377 1.476 20 5 DDBDLP COc1ccc(OCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193616232 163260769 /nfs/dbraw/zinc/26/07/69/163260769.db2.gz ZQFYYQHACDCLDW-BETUJISGSA-N 2 2 321.377 1.476 20 5 DDBDLP COc1ccc(OCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193616232 163260772 /nfs/dbraw/zinc/26/07/72/163260772.db2.gz ZQFYYQHACDCLDW-BETUJISGSA-N 2 2 321.377 1.476 20 5 DDBDLP C[C@H](C[NH+](C)C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343812743 410718225 /nfs/dbraw/zinc/71/82/25/410718225.db2.gz VXTHOYFGDARQFR-CYBMUJFWSA-N 2 2 322.409 1.789 20 5 DDBDLP C[NH+](C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120558342 782022004 /nfs/dbraw/zinc/02/20/04/782022004.db2.gz GAVYHBRSHVWIGJ-OAHLLOKOSA-N 2 2 320.393 1.853 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420352301 420230011 /nfs/dbraw/zinc/23/00/11/420230011.db2.gz MGCAWNJSBCLWPT-JQWIXIFHSA-N 2 2 322.365 1.354 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420352301 420230014 /nfs/dbraw/zinc/23/00/14/420230014.db2.gz MGCAWNJSBCLWPT-JQWIXIFHSA-N 2 2 322.365 1.354 20 5 DDBDLP CN(C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000435618882 420265743 /nfs/dbraw/zinc/26/57/43/420265743.db2.gz ROOXCIIVQFXJNH-ZDUSSCGKSA-N 2 2 320.393 1.632 20 5 DDBDLP CN(C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000435618882 420265748 /nfs/dbraw/zinc/26/57/48/420265748.db2.gz ROOXCIIVQFXJNH-ZDUSSCGKSA-N 2 2 320.393 1.632 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442767506 420712453 /nfs/dbraw/zinc/71/24/53/420712453.db2.gz RASQXNCCOZMIMB-UTUOFQBUSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442767506 420712456 /nfs/dbraw/zinc/71/24/56/420712456.db2.gz RASQXNCCOZMIMB-UTUOFQBUSA-N 2 2 306.366 1.591 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366633685 307078050 /nfs/dbraw/zinc/07/80/50/307078050.db2.gz CKYCFGSEKRTCIW-JSGCOSHPSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366633685 307078051 /nfs/dbraw/zinc/07/80/51/307078051.db2.gz CKYCFGSEKRTCIW-JSGCOSHPSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366633685 307078052 /nfs/dbraw/zinc/07/80/52/307078052.db2.gz CKYCFGSEKRTCIW-JSGCOSHPSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366633685 307078053 /nfs/dbraw/zinc/07/80/53/307078053.db2.gz CKYCFGSEKRTCIW-JSGCOSHPSA-N 2 2 319.409 1.777 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000371197473 307144486 /nfs/dbraw/zinc/14/44/86/307144486.db2.gz WYZVZWPVRPYVBD-HNNXBMFYSA-N 2 2 321.425 1.989 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000371197473 307144487 /nfs/dbraw/zinc/14/44/87/307144487.db2.gz WYZVZWPVRPYVBD-HNNXBMFYSA-N 2 2 321.425 1.989 20 5 DDBDLP CC[NH2+]CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414820701 528329409 /nfs/dbraw/zinc/32/94/09/528329409.db2.gz CTPMJEIDTOKSCV-UHFFFAOYSA-N 2 2 303.366 1.694 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577503 706724989 /nfs/dbraw/zinc/72/49/89/706724989.db2.gz JRKSOZRIZFNERO-BMFZPTHFSA-N 2 2 305.378 1.654 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577503 706724991 /nfs/dbraw/zinc/72/49/91/706724991.db2.gz JRKSOZRIZFNERO-BMFZPTHFSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577503 706724992 /nfs/dbraw/zinc/72/49/92/706724992.db2.gz JRKSOZRIZFNERO-BMFZPTHFSA-N 2 2 305.378 1.654 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577503 706724994 /nfs/dbraw/zinc/72/49/94/706724994.db2.gz JRKSOZRIZFNERO-BMFZPTHFSA-N 2 2 305.378 1.654 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863568840 705960505 /nfs/dbraw/zinc/96/05/05/705960505.db2.gz NPQWVFDRZHKWEJ-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863568840 705960509 /nfs/dbraw/zinc/96/05/09/705960509.db2.gz NPQWVFDRZHKWEJ-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475968 706985377 /nfs/dbraw/zinc/98/53/77/706985377.db2.gz KXCGPKAZPYAZQC-UHFFFAOYSA-N 2 2 307.398 1.660 20 5 DDBDLP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923416189 714348888 /nfs/dbraw/zinc/34/88/88/714348888.db2.gz UHAWMXRHEURWJW-AWEZNQCLSA-N 2 2 323.393 1.408 20 5 DDBDLP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923416189 714348892 /nfs/dbraw/zinc/34/88/92/714348892.db2.gz UHAWMXRHEURWJW-AWEZNQCLSA-N 2 2 323.393 1.408 20 5 DDBDLP Cc1cc(N2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)nc(C)[nH+]1 ZINC001169027851 762184420 /nfs/dbraw/zinc/18/44/20/762184420.db2.gz RDYVFLNCCWAYPI-CABCVRRESA-N 2 2 319.409 1.661 20 5 DDBDLP O=[N+]([O-])c1cnc(Cl)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155053699 861682910 /nfs/dbraw/zinc/68/29/10/861682910.db2.gz PMEGDUFQEJDZKJ-UHFFFAOYSA-N 2 2 308.729 1.691 20 5 DDBDLP [NH3+]C[C@]1(Nc2cc(Cl)ncc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160511546 865895784 /nfs/dbraw/zinc/89/57/84/865895784.db2.gz OOBLVBCHZAUPRX-ZDUSSCGKSA-N 2 2 311.773 1.478 20 5 DDBDLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC23CC3)c([N+](=O)[O-])c1 ZINC001246136301 892432541 /nfs/dbraw/zinc/43/25/41/892432541.db2.gz WGQKOCHSBURVSX-NHYWBVRUSA-N 2 2 305.378 1.876 20 5 DDBDLP C[NH2+]C[C@H](C)CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423279749 290718135 /nfs/dbraw/zinc/71/81/35/290718135.db2.gz TUEXSVVUQHHRGK-WFASDCNBSA-N 2 2 317.393 1.863 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[NH2+]C1CC1 ZINC000591577222 355329629 /nfs/dbraw/zinc/32/96/29/355329629.db2.gz CPJSDIDIILUTIN-LLVKDONJSA-N 2 2 306.366 1.654 20 5 DDBDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505800 356522423 /nfs/dbraw/zinc/52/24/23/356522423.db2.gz YNVNPIZHEWIAQG-MRXNPFEDSA-N 2 2 320.393 1.174 20 5 DDBDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505800 356522427 /nfs/dbraw/zinc/52/24/27/356522427.db2.gz YNVNPIZHEWIAQG-MRXNPFEDSA-N 2 2 320.393 1.174 20 5 DDBDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505800 356522432 /nfs/dbraw/zinc/52/24/32/356522432.db2.gz YNVNPIZHEWIAQG-MRXNPFEDSA-N 2 2 320.393 1.174 20 5 DDBDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505800 356522436 /nfs/dbraw/zinc/52/24/36/356522436.db2.gz YNVNPIZHEWIAQG-MRXNPFEDSA-N 2 2 320.393 1.174 20 5 DDBDLP C[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600713162 358291499 /nfs/dbraw/zinc/29/14/99/358291499.db2.gz GJSYJEVNDBINDL-NILFDRSVSA-N 2 2 315.377 1.758 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000600744123 358304628 /nfs/dbraw/zinc/30/46/28/358304628.db2.gz AIUYHMHURMLJCB-IYBDPMFKSA-N 2 2 318.377 1.125 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000600744123 358304632 /nfs/dbraw/zinc/30/46/32/358304632.db2.gz AIUYHMHURMLJCB-IYBDPMFKSA-N 2 2 318.377 1.125 20 5 DDBDLP CN(CC[NH+]1CCOCC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601111298 358406500 /nfs/dbraw/zinc/40/65/00/358406500.db2.gz RDEKEVWYPKNXKS-UHFFFAOYSA-N 2 2 316.361 1.911 20 5 DDBDLP CCn1c[nH+]cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149180 358422063 /nfs/dbraw/zinc/42/20/63/358422063.db2.gz KIHUICBJLRHHAN-OAHLLOKOSA-N 2 2 304.350 1.809 20 5 DDBDLP C[NH+](C)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506967 359018154 /nfs/dbraw/zinc/01/81/54/359018154.db2.gz ZHIVHAOSPMLAKY-UHFFFAOYSA-N 2 2 321.425 1.888 20 5 DDBDLP C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354741680 410052985 /nfs/dbraw/zinc/05/29/85/410052985.db2.gz DAYJDQWWTDZNJD-ZDUSSCGKSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354741680 410052990 /nfs/dbraw/zinc/05/29/90/410052990.db2.gz DAYJDQWWTDZNJD-ZDUSSCGKSA-N 2 2 319.409 1.595 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358132108 410377200 /nfs/dbraw/zinc/37/72/00/410377200.db2.gz GMFMLLZVKOZNFX-HNNXBMFYSA-N 2 2 309.366 1.150 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358132108 410377205 /nfs/dbraw/zinc/37/72/05/410377205.db2.gz GMFMLLZVKOZNFX-HNNXBMFYSA-N 2 2 309.366 1.150 20 5 DDBDLP C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000430919994 420204776 /nfs/dbraw/zinc/20/47/76/420204776.db2.gz SRWMEWTUQRQIRG-GXFFZTMASA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000430919994 420204781 /nfs/dbraw/zinc/20/47/81/420204781.db2.gz SRWMEWTUQRQIRG-GXFFZTMASA-N 2 2 317.349 1.814 20 5 DDBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430591875 420151121 /nfs/dbraw/zinc/15/11/21/420151121.db2.gz PAOLSDKIWFJYBN-LBPRGKRZSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000430591875 420151126 /nfs/dbraw/zinc/15/11/26/420151126.db2.gz PAOLSDKIWFJYBN-LBPRGKRZSA-N 2 2 306.366 1.655 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968240 420228038 /nfs/dbraw/zinc/22/80/38/420228038.db2.gz WGKHPBMPFYKHBO-SUNKGSAMSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968240 420228042 /nfs/dbraw/zinc/22/80/42/420228042.db2.gz WGKHPBMPFYKHBO-SUNKGSAMSA-N 2 2 306.366 1.591 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420356303 420232807 /nfs/dbraw/zinc/23/28/07/420232807.db2.gz GAHSIRANIGKCKG-LBPRGKRZSA-N 2 2 308.382 1.805 20 5 DDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420360920 420236831 /nfs/dbraw/zinc/23/68/31/420236831.db2.gz HOUVAILUZICTIX-WQGACYEGSA-N 2 2 320.393 1.534 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366633684 307078145 /nfs/dbraw/zinc/07/81/45/307078145.db2.gz CKYCFGSEKRTCIW-GXTWGEPZSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366633684 307078146 /nfs/dbraw/zinc/07/81/46/307078146.db2.gz CKYCFGSEKRTCIW-GXTWGEPZSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366633684 307078147 /nfs/dbraw/zinc/07/81/47/307078147.db2.gz CKYCFGSEKRTCIW-GXTWGEPZSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366633684 307078148 /nfs/dbraw/zinc/07/81/48/307078148.db2.gz CKYCFGSEKRTCIW-GXTWGEPZSA-N 2 2 319.409 1.777 20 5 DDBDLP C[N@@H+]1CC[C@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572792 706722916 /nfs/dbraw/zinc/72/29/16/706722916.db2.gz RIDSMFZWWURFQI-XJKSGUPXSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@H+]1CC[C@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572792 706722918 /nfs/dbraw/zinc/72/29/18/706722918.db2.gz RIDSMFZWWURFQI-XJKSGUPXSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572792 706722920 /nfs/dbraw/zinc/72/29/20/706722920.db2.gz RIDSMFZWWURFQI-XJKSGUPXSA-N 2 2 305.378 2.000 20 5 DDBDLP C[NH+]1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572792 706722922 /nfs/dbraw/zinc/72/29/22/706722922.db2.gz RIDSMFZWWURFQI-XJKSGUPXSA-N 2 2 305.378 2.000 20 5 DDBDLP C[N@@H+]1CC[C@](O)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244219 529810622 /nfs/dbraw/zinc/81/06/22/529810622.db2.gz ZFBPQJSEUZTPPB-HNNXBMFYSA-N 2 2 302.334 1.622 20 5 DDBDLP C[N@H+]1CC[C@](O)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244219 529810624 /nfs/dbraw/zinc/81/06/24/529810624.db2.gz ZFBPQJSEUZTPPB-HNNXBMFYSA-N 2 2 302.334 1.622 20 5 DDBDLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000600732383 358300054 /nfs/dbraw/zinc/30/00/54/358300054.db2.gz YMEYVKFNOXCRJR-UHFFFAOYSA-N 2 2 324.381 1.010 20 5 DDBDLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000600732383 358300057 /nfs/dbraw/zinc/30/00/57/358300057.db2.gz YMEYVKFNOXCRJR-UHFFFAOYSA-N 2 2 324.381 1.010 20 5 DDBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602534689 359032084 /nfs/dbraw/zinc/03/20/84/359032084.db2.gz JGUFLMYEMAVPIG-INIZCTEOSA-N 2 2 307.394 1.838 20 5 DDBDLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602534689 359032086 /nfs/dbraw/zinc/03/20/86/359032086.db2.gz JGUFLMYEMAVPIG-INIZCTEOSA-N 2 2 307.394 1.838 20 5 DDBDLP C[NH+]1CCC([N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609284391 360288269 /nfs/dbraw/zinc/28/82/69/360288269.db2.gz TXJMNHXHKZTNRG-UHFFFAOYSA-N 2 2 307.394 1.526 20 5 DDBDLP C[NH+]1CCC([N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609284391 360288271 /nfs/dbraw/zinc/28/82/71/360288271.db2.gz TXJMNHXHKZTNRG-UHFFFAOYSA-N 2 2 307.394 1.526 20 5 DDBDLP CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359039824 299314362 /nfs/dbraw/zinc/31/43/62/299314362.db2.gz JNXJNAWNSZWZMA-ZIAGYGMSSA-N 2 2 309.366 1.412 20 5 DDBDLP CO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359039824 299314366 /nfs/dbraw/zinc/31/43/66/299314366.db2.gz JNXJNAWNSZWZMA-ZIAGYGMSSA-N 2 2 309.366 1.412 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422718200 533222186 /nfs/dbraw/zinc/22/21/86/533222186.db2.gz PIEMKJNPXZSSRX-CVEARBPZSA-N 2 2 321.377 1.460 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261651964 407570266 /nfs/dbraw/zinc/57/02/66/407570266.db2.gz HLXIXYRXNHGUBN-HNNXBMFYSA-N 2 2 306.366 1.512 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261651964 407570271 /nfs/dbraw/zinc/57/02/71/407570271.db2.gz HLXIXYRXNHGUBN-HNNXBMFYSA-N 2 2 306.366 1.512 20 5 DDBDLP C[NH+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078535516 407032319 /nfs/dbraw/zinc/03/23/19/407032319.db2.gz WCVPZSAXGPAFJZ-UHFFFAOYSA-N 2 2 317.349 1.462 20 5 DDBDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123191410 407322328 /nfs/dbraw/zinc/32/23/28/407322328.db2.gz LUXHWLWXCDWBQL-SMDDNHRTSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123191410 407322329 /nfs/dbraw/zinc/32/23/29/407322329.db2.gz LUXHWLWXCDWBQL-SMDDNHRTSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+]1C ZINC000123191410 407322330 /nfs/dbraw/zinc/32/23/30/407322330.db2.gz LUXHWLWXCDWBQL-SMDDNHRTSA-N 2 2 320.393 1.608 20 5 DDBDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[NH+]1C ZINC000123191410 407322332 /nfs/dbraw/zinc/32/23/32/407322332.db2.gz LUXHWLWXCDWBQL-SMDDNHRTSA-N 2 2 320.393 1.608 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000261717283 407590214 /nfs/dbraw/zinc/59/02/14/407590214.db2.gz HZCOUYUGOZBWLU-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000261717283 407590217 /nfs/dbraw/zinc/59/02/17/407590217.db2.gz HZCOUYUGOZBWLU-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840934 410189232 /nfs/dbraw/zinc/18/92/32/410189232.db2.gz GJFLINIBJVSNQG-WCFLWFBJSA-N 2 2 321.377 1.781 20 5 DDBDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840934 410189241 /nfs/dbraw/zinc/18/92/41/410189241.db2.gz GJFLINIBJVSNQG-WCFLWFBJSA-N 2 2 321.377 1.781 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430549472 420134719 /nfs/dbraw/zinc/13/47/19/420134719.db2.gz XUPOKQQAHXXOBS-AVGNSLFASA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430549472 420134723 /nfs/dbraw/zinc/13/47/23/420134723.db2.gz XUPOKQQAHXXOBS-AVGNSLFASA-N 2 2 320.393 1.981 20 5 DDBDLP O=C(CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420325408 420210814 /nfs/dbraw/zinc/21/08/14/420210814.db2.gz WDJHCQSQIQCRSY-OAHLLOKOSA-N 2 2 318.377 1.750 20 5 DDBDLP O=C(CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420325408 420210821 /nfs/dbraw/zinc/21/08/21/420210821.db2.gz WDJHCQSQIQCRSY-OAHLLOKOSA-N 2 2 318.377 1.750 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369068 420241008 /nfs/dbraw/zinc/24/10/08/420241008.db2.gz BJCKKAYQLJGNOG-UPJWGTAASA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369068 420241011 /nfs/dbraw/zinc/24/10/11/420241011.db2.gz BJCKKAYQLJGNOG-UPJWGTAASA-N 2 2 320.393 1.839 20 5 DDBDLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420390877 420255967 /nfs/dbraw/zinc/25/59/67/420255967.db2.gz RMASMKMBIGLLOI-LLVKDONJSA-N 2 2 324.381 1.472 20 5 DDBDLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420390877 420255975 /nfs/dbraw/zinc/25/59/75/420255975.db2.gz RMASMKMBIGLLOI-LLVKDONJSA-N 2 2 324.381 1.472 20 5 DDBDLP C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000447803056 420802242 /nfs/dbraw/zinc/80/22/42/420802242.db2.gz PXXAOUWXLNDBOQ-CYBMUJFWSA-N 2 2 322.409 1.789 20 5 DDBDLP CC(C)(CC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000424061098 527029208 /nfs/dbraw/zinc/02/92/08/527029208.db2.gz QVTQMOBHQHYHTA-UHFFFAOYSA-N 2 2 317.349 1.638 20 5 DDBDLP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000876956994 705938264 /nfs/dbraw/zinc/93/82/64/705938264.db2.gz PZCKRYJVKUHRAG-IYXRBSQSSA-N 2 2 307.398 1.959 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H](C)[NH3+] ZINC000863568838 705960606 /nfs/dbraw/zinc/96/06/06/705960606.db2.gz NPQWVFDRZHKWEJ-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863568838 705960608 /nfs/dbraw/zinc/96/06/08/705960608.db2.gz NPQWVFDRZHKWEJ-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467274 710762759 /nfs/dbraw/zinc/76/27/59/710762759.db2.gz OPCMLNLHQFCBLC-OBCWZRDOSA-N 2 2 318.377 1.794 20 5 DDBDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905290590 711994441 /nfs/dbraw/zinc/99/44/41/711994441.db2.gz KMYDQPZXMZQUOZ-HZPDHXFCSA-N 2 2 307.394 1.390 20 5 DDBDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905290590 711994444 /nfs/dbraw/zinc/99/44/44/711994444.db2.gz KMYDQPZXMZQUOZ-HZPDHXFCSA-N 2 2 307.394 1.390 20 5 DDBDLP COc1nc(C)c([N+](=O)[O-])c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057985 861689781 /nfs/dbraw/zinc/68/97/81/861689781.db2.gz QDWNWLOGQGXMFO-UHFFFAOYSA-N 2 2 318.337 1.355 20 5 DDBDLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151141260 862646592 /nfs/dbraw/zinc/64/65/92/862646592.db2.gz NEBWQNXORHWNMT-UHFFFAOYSA-N 2 2 323.378 1.067 20 5 DDBDLP C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2N)CC[NH+](C)CC1 ZINC001156185083 862790543 /nfs/dbraw/zinc/79/05/43/862790543.db2.gz MBOBLCHBPUZKKS-UHFFFAOYSA-N 2 2 308.386 1.010 20 5 DDBDLP Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158260240 864522957 /nfs/dbraw/zinc/52/29/57/864522957.db2.gz ZCADECPPQQOHKN-LBPRGKRZSA-N 2 2 305.382 1.300 20 5 DDBDLP Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158260240 864522961 /nfs/dbraw/zinc/52/29/61/864522961.db2.gz ZCADECPPQQOHKN-LBPRGKRZSA-N 2 2 305.382 1.300 20 5 DDBDLP CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001336845930 869180548 /nfs/dbraw/zinc/18/05/48/869180548.db2.gz SHLMNAPRQPNXPB-AWEZNQCLSA-N 2 2 304.350 1.850 20 5 DDBDLP Cc1[nH+]c2c(n1-c1cc([N+](=O)[O-])cc(Cl)n1)CC[NH2+]CC2 ZINC001165352418 869539975 /nfs/dbraw/zinc/53/99/75/869539975.db2.gz SORDISIGQFNPMM-UHFFFAOYSA-N 2 2 307.741 1.826 20 5 DDBDLP C[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001349849296 875409438 /nfs/dbraw/zinc/40/94/38/875409438.db2.gz KHDOILPPGHBRMZ-INIZCTEOSA-N 2 2 320.393 1.321 20 5 DDBDLP C[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001349849296 875409452 /nfs/dbraw/zinc/40/94/52/875409452.db2.gz KHDOILPPGHBRMZ-INIZCTEOSA-N 2 2 320.393 1.321 20 5 DDBDLP CN(CCC[NH3+])C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591679068 355360817 /nfs/dbraw/zinc/36/08/17/355360817.db2.gz OWXBPCDIWLKFHF-UHFFFAOYSA-N 2 2 303.322 1.201 20 5 DDBDLP CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489214 355598411 /nfs/dbraw/zinc/59/84/11/355598411.db2.gz UEGFPVNQWWCYLF-DOMZBBRYSA-N 2 2 320.393 1.617 20 5 DDBDLP CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489214 355598413 /nfs/dbraw/zinc/59/84/13/355598413.db2.gz UEGFPVNQWWCYLF-DOMZBBRYSA-N 2 2 320.393 1.617 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600714182 358291849 /nfs/dbraw/zinc/29/18/49/358291849.db2.gz QGOWJRUUYICXFR-OCCSQVGLSA-N 2 2 301.350 1.369 20 5 DDBDLP [NH3+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000237850395 202370775 /nfs/dbraw/zinc/37/07/75/202370775.db2.gz QCFUYUPOFVHNGV-UHFFFAOYSA-N 2 2 315.333 1.344 20 5 DDBDLP CN(C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000261685415 407578405 /nfs/dbraw/zinc/57/84/05/407578405.db2.gz KGMMUJNXRGNMNV-OAHLLOKOSA-N 2 2 306.366 1.228 20 5 DDBDLP CN(C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000261685415 407578413 /nfs/dbraw/zinc/57/84/13/407578413.db2.gz KGMMUJNXRGNMNV-OAHLLOKOSA-N 2 2 306.366 1.228 20 5 DDBDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298020339 410083211 /nfs/dbraw/zinc/08/32/11/410083211.db2.gz DOYBNTLUUZDOFT-AWEZNQCLSA-N 2 2 319.409 1.596 20 5 DDBDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298020339 410083216 /nfs/dbraw/zinc/08/32/16/410083216.db2.gz DOYBNTLUUZDOFT-AWEZNQCLSA-N 2 2 319.409 1.596 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856780 410293152 /nfs/dbraw/zinc/29/31/52/410293152.db2.gz WFYKWZVJQYHVRZ-VXGBXAGGSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856780 410293156 /nfs/dbraw/zinc/29/31/56/410293156.db2.gz WFYKWZVJQYHVRZ-VXGBXAGGSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863123 410302196 /nfs/dbraw/zinc/30/21/96/410302196.db2.gz RVYTWQJRFSMWHJ-DGCLKSJQSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863123 410302202 /nfs/dbraw/zinc/30/22/02/410302202.db2.gz RVYTWQJRFSMWHJ-DGCLKSJQSA-N 2 2 318.377 1.153 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000348342854 410925027 /nfs/dbraw/zinc/92/50/27/410925027.db2.gz ZQTJFHRLOFTJRM-AWEZNQCLSA-N 2 2 303.366 1.569 20 5 DDBDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423380006 420032144 /nfs/dbraw/zinc/03/21/44/420032144.db2.gz MMFQQOGRXHOXDI-NWDGAFQWSA-N 2 2 308.382 1.900 20 5 DDBDLP CC[C@@H]([NH3+])CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423467897 420056667 /nfs/dbraw/zinc/05/66/67/420056667.db2.gz OEIOEFPIGSIZQB-OCCSQVGLSA-N 2 2 303.366 1.745 20 5 DDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420360923 420234909 /nfs/dbraw/zinc/23/49/09/420234909.db2.gz HOUVAILUZICTIX-XHBSWPGZSA-N 2 2 320.393 1.534 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420373531 420246222 /nfs/dbraw/zinc/24/62/22/420246222.db2.gz RHJIDAQATKSXID-MCYUEQNJSA-N 2 2 320.393 1.898 20 5 DDBDLP Cc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000519834654 421733920 /nfs/dbraw/zinc/73/39/20/421733920.db2.gz UNSCGTXPGICSBO-UHFFFAOYSA-N 2 2 307.394 1.840 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000583381977 332376051 /nfs/dbraw/zinc/37/60/51/332376051.db2.gz ZCNCGUXWYZBKFH-GFCCVEGCSA-N 2 2 322.365 1.226 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000583381977 332376052 /nfs/dbraw/zinc/37/60/52/332376052.db2.gz ZCNCGUXWYZBKFH-GFCCVEGCSA-N 2 2 322.365 1.226 20 5 DDBDLP C[C@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000877831479 706226904 /nfs/dbraw/zinc/22/69/04/706226904.db2.gz UXWOMRDUAOLYJZ-DDUYRFODSA-N 2 2 323.393 1.061 20 5 DDBDLP C[C@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000877831479 706226905 /nfs/dbraw/zinc/22/69/05/706226905.db2.gz UXWOMRDUAOLYJZ-DDUYRFODSA-N 2 2 323.393 1.061 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001157915262 864258588 /nfs/dbraw/zinc/25/85/88/864258588.db2.gz NUMIENJBBUJJSK-UHFFFAOYSA-N 2 2 303.326 1.065 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154562099 354208119 /nfs/dbraw/zinc/20/81/19/354208119.db2.gz ZQUFNEUZKREUNJ-WFASDCNBSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154562099 354208121 /nfs/dbraw/zinc/20/81/21/354208121.db2.gz ZQUFNEUZKREUNJ-WFASDCNBSA-N 2 2 320.393 1.996 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000596648342 356940869 /nfs/dbraw/zinc/94/08/69/356940869.db2.gz QGOWJRUUYICXFR-JSGCOSHPSA-N 2 2 301.350 1.369 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000053100729 407163338 /nfs/dbraw/zinc/16/33/38/407163338.db2.gz ABWYAELBKGPPBP-UHFFFAOYSA-N 2 2 318.421 1.808 20 5 DDBDLP CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000261750361 407599742 /nfs/dbraw/zinc/59/97/42/407599742.db2.gz OVWSNHNUVUXCLI-UHFFFAOYSA-N 2 2 320.393 1.997 20 5 DDBDLP CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000261750361 407599744 /nfs/dbraw/zinc/59/97/44/407599744.db2.gz OVWSNHNUVUXCLI-UHFFFAOYSA-N 2 2 320.393 1.997 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129574622 196058949 /nfs/dbraw/zinc/05/89/49/196058949.db2.gz BPRXYBZLLXHNCM-CQSZACIVSA-N 2 2 305.378 1.749 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129574622 196058951 /nfs/dbraw/zinc/05/89/51/196058951.db2.gz BPRXYBZLLXHNCM-CQSZACIVSA-N 2 2 305.378 1.749 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430595453 420151599 /nfs/dbraw/zinc/15/15/99/420151599.db2.gz XZDHWNWLHNOCTK-OAHLLOKOSA-N 2 2 308.382 1.805 20 5 DDBDLP C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000430974491 420230512 /nfs/dbraw/zinc/23/05/12/420230512.db2.gz ZZMFHEMVIZZMKC-FZMZJTMJSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000430974491 420230514 /nfs/dbraw/zinc/23/05/14/420230514.db2.gz ZZMFHEMVIZZMKC-FZMZJTMJSA-N 2 2 318.377 1.153 20 5 DDBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCC2)n1 ZINC000447522441 420778783 /nfs/dbraw/zinc/77/87/83/420778783.db2.gz YRSXBJKYRKTBIX-KBPBESRZSA-N 2 2 307.398 1.960 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430551008 281261120 /nfs/dbraw/zinc/26/11/20/281261120.db2.gz HJXWJODOLSDNLW-OAHLLOKOSA-N 2 2 306.366 1.559 20 5 DDBDLP O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000372279708 307167265 /nfs/dbraw/zinc/16/72/65/307167265.db2.gz APZFUQOTTBUFEZ-AWEZNQCLSA-N 2 2 307.398 1.914 20 5 DDBDLP O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000372279708 307167266 /nfs/dbraw/zinc/16/72/66/307167266.db2.gz APZFUQOTTBUFEZ-AWEZNQCLSA-N 2 2 307.398 1.914 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000819244906 704094020 /nfs/dbraw/zinc/09/40/20/704094020.db2.gz PNMPPRZEINLNDW-OCCSQVGLSA-N 2 2 302.334 1.429 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000819321972 704107334 /nfs/dbraw/zinc/10/73/34/704107334.db2.gz OGRPXRRHNZKITM-XHDPSFHLSA-N 2 2 302.334 1.498 20 5 DDBDLP Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000878517382 706413830 /nfs/dbraw/zinc/41/38/30/706413830.db2.gz LBHBICBULJYXNQ-UHFFFAOYSA-N 2 2 301.350 1.949 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785350 714934662 /nfs/dbraw/zinc/93/46/62/714934662.db2.gz KRNQHBUMNHTCSQ-UHIISALHSA-N 2 2 306.366 1.509 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3nc[nH]c3c2[N+](=O)[O-])CC1 ZINC001168740049 748707125 /nfs/dbraw/zinc/70/71/25/748707125.db2.gz BMOYTPNGNAMUEW-UHFFFAOYSA-N 2 2 303.326 1.065 20 5 DDBDLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001169204842 762294054 /nfs/dbraw/zinc/29/40/54/762294054.db2.gz SLWXLKDLPNAPMA-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001173231631 777063402 /nfs/dbraw/zinc/06/34/02/777063402.db2.gz NFUQPFZWZPHAAY-AWEZNQCLSA-N 2 2 318.421 1.457 20 5 DDBDLP COc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158259342 864520920 /nfs/dbraw/zinc/52/09/20/864520920.db2.gz QWLWZHAYUNMVRS-LLVKDONJSA-N 2 2 321.381 1.000 20 5 DDBDLP COc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158259342 864520926 /nfs/dbraw/zinc/52/09/26/864520926.db2.gz QWLWZHAYUNMVRS-LLVKDONJSA-N 2 2 321.381 1.000 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584768279 354762435 /nfs/dbraw/zinc/76/24/35/354762435.db2.gz MNUYVJJXBFTKBS-GFCCVEGCSA-N 2 2 321.381 1.318 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584768279 354762439 /nfs/dbraw/zinc/76/24/39/354762439.db2.gz MNUYVJJXBFTKBS-GFCCVEGCSA-N 2 2 321.381 1.318 20 5 DDBDLP CCc1cc(NC[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591436740 355310657 /nfs/dbraw/zinc/31/06/57/355310657.db2.gz OPVVWSUVSMSOGX-SNVBAGLBSA-N 2 2 301.350 1.795 20 5 DDBDLP CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592486172 355596360 /nfs/dbraw/zinc/59/63/60/355596360.db2.gz XJUZOVCVKJFZHV-GXTWGEPZSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592486172 355596365 /nfs/dbraw/zinc/59/63/65/355596365.db2.gz XJUZOVCVKJFZHV-GXTWGEPZSA-N 2 2 320.393 1.901 20 5 DDBDLP C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427677 355580099 /nfs/dbraw/zinc/58/00/99/355580099.db2.gz PPRAOPDABQAEGX-JQWIXIFHSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1[NH3+] ZINC000592427677 355580101 /nfs/dbraw/zinc/58/01/01/355580101.db2.gz PPRAOPDABQAEGX-JQWIXIFHSA-N 2 2 307.350 1.535 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479861 359005537 /nfs/dbraw/zinc/00/55/37/359005537.db2.gz RGSZSPOIXZSPRB-ZDUSSCGKSA-N 2 2 307.398 1.492 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479861 359005542 /nfs/dbraw/zinc/00/55/42/359005542.db2.gz RGSZSPOIXZSPRB-ZDUSSCGKSA-N 2 2 307.398 1.492 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479861 359005547 /nfs/dbraw/zinc/00/55/47/359005547.db2.gz RGSZSPOIXZSPRB-ZDUSSCGKSA-N 2 2 307.398 1.492 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479861 359005549 /nfs/dbraw/zinc/00/55/49/359005549.db2.gz RGSZSPOIXZSPRB-ZDUSSCGKSA-N 2 2 307.398 1.492 20 5 DDBDLP C[C@@H](CC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000349988950 284127992 /nfs/dbraw/zinc/12/79/92/284127992.db2.gz NRMGLRVQLFSJJC-JTQLQIEISA-N 2 2 303.322 1.248 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351490744 284340236 /nfs/dbraw/zinc/34/02/36/284340236.db2.gz IYVLQRUCTZDQHG-PKIAMQTDSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351490744 284340238 /nfs/dbraw/zinc/34/02/38/284340238.db2.gz IYVLQRUCTZDQHG-PKIAMQTDSA-N 2 2 318.377 1.591 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414321914 533223413 /nfs/dbraw/zinc/22/34/13/533223413.db2.gz DSONXHUTOQYFNL-UHFFFAOYSA-N 2 2 319.365 1.693 20 5 DDBDLP CC[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525897 407961555 /nfs/dbraw/zinc/96/15/55/407961555.db2.gz LXQJSOKPHORXSM-HNNXBMFYSA-N 2 2 317.393 1.959 20 5 DDBDLP CC[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525897 407961562 /nfs/dbraw/zinc/96/15/62/407961562.db2.gz LXQJSOKPHORXSM-HNNXBMFYSA-N 2 2 317.393 1.959 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098431 409874850 /nfs/dbraw/zinc/87/48/50/409874850.db2.gz BGCBEDMASDXYOH-YPMHNXCESA-N 2 2 321.377 1.653 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098431 409874858 /nfs/dbraw/zinc/87/48/58/409874858.db2.gz BGCBEDMASDXYOH-YPMHNXCESA-N 2 2 321.377 1.653 20 5 DDBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000336853011 410642054 /nfs/dbraw/zinc/64/20/54/410642054.db2.gz CAIGLUBRLXKENE-ZDUSSCGKSA-N 2 2 308.382 1.499 20 5 DDBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000336853011 410642058 /nfs/dbraw/zinc/64/20/58/410642058.db2.gz CAIGLUBRLXKENE-ZDUSSCGKSA-N 2 2 308.382 1.499 20 5 DDBDLP O=[N+]([O-])c1cccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000130668554 196100204 /nfs/dbraw/zinc/10/02/04/196100204.db2.gz ANARORPKXMAXGW-UHFFFAOYSA-N 2 2 301.350 1.614 20 5 DDBDLP C[C@H](C[NH3+])C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423314288 420009093 /nfs/dbraw/zinc/00/90/93/420009093.db2.gz XYKXZFKNRBAHMJ-RISCZKNCSA-N 2 2 303.366 1.602 20 5 DDBDLP C[C@H](C[NH3+])C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423313201 420009812 /nfs/dbraw/zinc/00/98/12/420009812.db2.gz WJMJQOFMRIFMPD-BXUZGUMPSA-N 2 2 303.366 1.602 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597213 420151693 /nfs/dbraw/zinc/15/16/93/420151693.db2.gz QCILIPQIUMDNQH-CHWSQXEVSA-N 2 2 320.393 1.617 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000430597213 420151697 /nfs/dbraw/zinc/15/16/97/420151697.db2.gz QCILIPQIUMDNQH-CHWSQXEVSA-N 2 2 320.393 1.617 20 5 DDBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000420360914 420234943 /nfs/dbraw/zinc/23/49/43/420234943.db2.gz HOUVAILUZICTIX-BFQNTYOBSA-N 2 2 320.393 1.534 20 5 DDBDLP C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420397033 420261234 /nfs/dbraw/zinc/26/12/34/420261234.db2.gz FXASONVOJHFQDO-STQMWFEESA-N 2 2 320.393 1.474 20 5 DDBDLP C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420397033 420261236 /nfs/dbraw/zinc/26/12/36/420261236.db2.gz FXASONVOJHFQDO-STQMWFEESA-N 2 2 320.393 1.474 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395180 421007065 /nfs/dbraw/zinc/00/70/65/421007065.db2.gz IIPXGKGMECUDPS-ZBFHGGJFSA-N 2 2 321.421 1.962 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395180 421007069 /nfs/dbraw/zinc/00/70/69/421007069.db2.gz IIPXGKGMECUDPS-ZBFHGGJFSA-N 2 2 321.421 1.962 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562743619 421409314 /nfs/dbraw/zinc/40/93/14/421409314.db2.gz DCNKVLCQVSDNFE-LBPRGKRZSA-N 2 2 307.354 1.010 20 5 DDBDLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397308533 302353579 /nfs/dbraw/zinc/35/35/79/302353579.db2.gz IBJROYVSOFDTPI-AGIUHOORSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397308533 302353581 /nfs/dbraw/zinc/35/35/81/302353581.db2.gz IBJROYVSOFDTPI-AGIUHOORSA-N 2 2 320.393 1.839 20 5 DDBDLP NC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420356958 302383703 /nfs/dbraw/zinc/38/37/03/302383703.db2.gz HHWJJRGDCZHBIH-AWEZNQCLSA-N 2 2 320.393 1.691 20 5 DDBDLP CCC[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414868319 528514308 /nfs/dbraw/zinc/51/43/08/528514308.db2.gz JWSPOIPMMQFUTQ-GFCCVEGCSA-N 2 2 308.382 1.901 20 5 DDBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877036257 705967639 /nfs/dbraw/zinc/96/76/39/705967639.db2.gz DWPOEEFGVPVBHN-ROKHWSDSSA-N 2 2 307.398 1.959 20 5 DDBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877036257 705967641 /nfs/dbraw/zinc/96/76/41/705967641.db2.gz DWPOEEFGVPVBHN-ROKHWSDSSA-N 2 2 307.398 1.959 20 5 DDBDLP CC1(C)CC[N@H+](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000898034316 708524213 /nfs/dbraw/zinc/52/42/13/708524213.db2.gz NWRQKALCUYZDIT-UHFFFAOYSA-N 2 2 307.398 1.816 20 5 DDBDLP CC1(C)CC[N@@H+](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000898034316 708524214 /nfs/dbraw/zinc/52/42/14/708524214.db2.gz NWRQKALCUYZDIT-UHFFFAOYSA-N 2 2 307.398 1.816 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473084 710764664 /nfs/dbraw/zinc/76/46/64/710764664.db2.gz QJEQEYMUXBEIBN-WAZAZEMKSA-N 2 2 318.377 1.794 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931319157 714065914 /nfs/dbraw/zinc/06/59/14/714065914.db2.gz XEGMCOKIHKETRR-GJZGRUSLSA-N 2 2 307.398 1.373 20 5 DDBDLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128986401 750687874 /nfs/dbraw/zinc/68/78/74/750687874.db2.gz VIBBGSNOKXNDAS-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP CC(C)(C)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169075610 762223669 /nfs/dbraw/zinc/22/36/69/762223669.db2.gz ZUXJFKLLBSZVSC-GFCCVEGCSA-N 2 2 318.377 1.940 20 5 DDBDLP C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC001156182349 862787735 /nfs/dbraw/zinc/78/77/35/862787735.db2.gz QLNDROCMVCPSIG-UHFFFAOYSA-N 2 2 311.361 1.567 20 5 DDBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001254541257 896496803 /nfs/dbraw/zinc/49/68/03/896496803.db2.gz ZSRGBVOTPSRVKO-LBPRGKRZSA-N 2 2 305.382 1.298 20 5 DDBDLP C[NH2+][C@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001261461217 899582557 /nfs/dbraw/zinc/58/25/57/899582557.db2.gz DOHGHDOJUWIUJE-LLVKDONJSA-N 2 2 317.349 1.508 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565177 363676027 /nfs/dbraw/zinc/67/60/27/363676027.db2.gz GCTIJXKZWIDRME-IHRRRGAJSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565177 363676030 /nfs/dbraw/zinc/67/60/30/363676030.db2.gz GCTIJXKZWIDRME-IHRRRGAJSA-N 2 2 307.398 1.959 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000610804183 360541290 /nfs/dbraw/zinc/54/12/90/360541290.db2.gz MTEFRYQVWIXQFV-JSGCOSHPSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000610804183 360541295 /nfs/dbraw/zinc/54/12/95/360541295.db2.gz MTEFRYQVWIXQFV-JSGCOSHPSA-N 2 2 320.393 1.996 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611185063 360652825 /nfs/dbraw/zinc/65/28/25/360652825.db2.gz HAEWWYZKLCMALE-CYBMUJFWSA-N 2 2 317.349 1.290 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611185063 360652829 /nfs/dbraw/zinc/65/28/29/360652829.db2.gz HAEWWYZKLCMALE-CYBMUJFWSA-N 2 2 317.349 1.290 20 5 DDBDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271650 360686031 /nfs/dbraw/zinc/68/60/31/360686031.db2.gz HRVSCQKLEYLQDE-GFCCVEGCSA-N 2 2 321.377 1.750 20 5 DDBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271650 360686034 /nfs/dbraw/zinc/68/60/34/360686034.db2.gz HRVSCQKLEYLQDE-GFCCVEGCSA-N 2 2 321.377 1.750 20 5 DDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000579488834 422779251 /nfs/dbraw/zinc/77/92/51/422779251.db2.gz PZZRPGSSMCDUCP-ZYHUDNBSSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000579488834 422779253 /nfs/dbraw/zinc/77/92/53/422779253.db2.gz PZZRPGSSMCDUCP-ZYHUDNBSSA-N 2 2 317.349 1.956 20 5 DDBDLP [NH3+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000157706683 197209091 /nfs/dbraw/zinc/20/90/91/197209091.db2.gz KLTMOJHKDSIWIW-LBPRGKRZSA-N 2 2 315.333 1.344 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261674117 407573828 /nfs/dbraw/zinc/57/38/28/407573828.db2.gz JHVASLIZNCZIAG-NHYWBVRUSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261674117 407573833 /nfs/dbraw/zinc/57/38/33/407573833.db2.gz JHVASLIZNCZIAG-NHYWBVRUSA-N 2 2 306.366 1.593 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261817316 407625293 /nfs/dbraw/zinc/62/52/93/407625293.db2.gz XLFJLCYWLRJQDH-HNNXBMFYSA-N 2 2 309.366 1.783 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000261817316 407625298 /nfs/dbraw/zinc/62/52/98/407625298.db2.gz XLFJLCYWLRJQDH-HNNXBMFYSA-N 2 2 309.366 1.783 20 5 DDBDLP C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1n1cc[nH+]c1 ZINC000245563804 408019619 /nfs/dbraw/zinc/01/96/19/408019619.db2.gz DBNCRLPUSOSBBL-CHWSQXEVSA-N 2 2 304.354 1.571 20 5 DDBDLP C[NH+](C[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289447478 409274133 /nfs/dbraw/zinc/27/41/33/409274133.db2.gz ULJVSGFOCCMMBA-MRXNPFEDSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](C[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289447478 409274134 /nfs/dbraw/zinc/27/41/34/409274134.db2.gz ULJVSGFOCCMMBA-MRXNPFEDSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289447478 409274138 /nfs/dbraw/zinc/27/41/38/409274138.db2.gz ULJVSGFOCCMMBA-MRXNPFEDSA-N 2 2 307.394 1.524 20 5 DDBDLP C[NH+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289447478 409274141 /nfs/dbraw/zinc/27/41/41/409274141.db2.gz ULJVSGFOCCMMBA-MRXNPFEDSA-N 2 2 307.394 1.524 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346086999 409770216 /nfs/dbraw/zinc/77/02/16/409770216.db2.gz VBSVQUJNWGEWOK-LLVKDONJSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346086999 409770229 /nfs/dbraw/zinc/77/02/29/409770229.db2.gz VBSVQUJNWGEWOK-LLVKDONJSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000346673592 410069944 /nfs/dbraw/zinc/06/99/44/410069944.db2.gz IDOYKQWVIUMZQA-QWRGUYRKSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000346673592 410069951 /nfs/dbraw/zinc/06/99/51/410069951.db2.gz IDOYKQWVIUMZQA-QWRGUYRKSA-N 2 2 309.366 1.781 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351848699 410284925 /nfs/dbraw/zinc/28/49/25/410284925.db2.gz DVMIFHOKVMUKBL-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351848699 410284930 /nfs/dbraw/zinc/28/49/30/410284930.db2.gz DVMIFHOKVMUKBL-MNOVXSKESA-N 2 2 322.365 1.211 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351860634 410298165 /nfs/dbraw/zinc/29/81/65/410298165.db2.gz GXRSMCQNTIQCFS-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351860634 410298168 /nfs/dbraw/zinc/29/81/68/410298168.db2.gz GXRSMCQNTIQCFS-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863122 410300216 /nfs/dbraw/zinc/30/02/16/410300216.db2.gz RVYTWQJRFSMWHJ-AAEUAGOBSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000351863122 410300225 /nfs/dbraw/zinc/30/02/25/410300225.db2.gz RVYTWQJRFSMWHJ-AAEUAGOBSA-N 2 2 318.377 1.153 20 5 DDBDLP CC[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494859 411029912 /nfs/dbraw/zinc/02/99/12/411029912.db2.gz GHELZFQKHSRGEV-OAHLLOKOSA-N 2 2 317.393 1.959 20 5 DDBDLP CC[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494859 411029919 /nfs/dbraw/zinc/02/99/19/411029919.db2.gz GHELZFQKHSRGEV-OAHLLOKOSA-N 2 2 317.393 1.959 20 5 DDBDLP Cc1c(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423071726 227336445 /nfs/dbraw/zinc/33/64/45/227336445.db2.gz ICDMGJUOXPJSFQ-HOTGVXAUSA-N 2 2 305.378 1.760 20 5 DDBDLP Cn1cc(C[NH2+][C@@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414867866 419849839 /nfs/dbraw/zinc/84/98/39/419849839.db2.gz OUXWAFUVHSNHOF-CQSZACIVSA-N 2 2 315.377 1.837 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430550977 420132956 /nfs/dbraw/zinc/13/29/56/420132956.db2.gz HHQNXUWWDBOFFY-CYBMUJFWSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430550977 420132959 /nfs/dbraw/zinc/13/29/59/420132959.db2.gz HHQNXUWWDBOFFY-CYBMUJFWSA-N 2 2 306.366 1.655 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430566199 420141175 /nfs/dbraw/zinc/14/11/75/420141175.db2.gz BYERNOAKBZJZIY-GFCCVEGCSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430566199 420141178 /nfs/dbraw/zinc/14/11/78/420141178.db2.gz BYERNOAKBZJZIY-GFCCVEGCSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342129889 271309903 /nfs/dbraw/zinc/30/99/03/271309903.db2.gz HPGQBVFAMYLHGB-UHFFFAOYSA-N 2 2 308.338 1.013 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866949 274206550 /nfs/dbraw/zinc/20/65/50/274206550.db2.gz NMYSGJYNAAXFHI-WCQYABFASA-N 2 2 306.366 1.654 20 5 DDBDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877619565 706161702 /nfs/dbraw/zinc/16/17/02/706161702.db2.gz DIOQLAZUPCSQIR-CPCZMJQVSA-N 2 2 307.398 1.957 20 5 DDBDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877619565 706161704 /nfs/dbraw/zinc/16/17/04/706161704.db2.gz DIOQLAZUPCSQIR-CPCZMJQVSA-N 2 2 307.398 1.957 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902445878 710757030 /nfs/dbraw/zinc/75/70/30/710757030.db2.gz NCPKVORKZZBPKK-RISCZKNCSA-N 2 2 320.393 1.900 20 5 DDBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000923397104 714340962 /nfs/dbraw/zinc/34/09/62/714340962.db2.gz ADOXCCQIDKJXNK-ZFWWWQNUSA-N 2 2 321.377 1.209 20 5 DDBDLP COc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155052632 861681507 /nfs/dbraw/zinc/68/15/07/861681507.db2.gz DQYBRLKRLDQBFD-UHFFFAOYSA-N 2 2 304.310 1.046 20 5 DDBDLP COc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158260957 864523454 /nfs/dbraw/zinc/52/34/54/864523454.db2.gz IRUHLLYOJOAKIB-NSHDSACASA-N 2 2 321.381 1.000 20 5 DDBDLP COc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158260957 864523457 /nfs/dbraw/zinc/52/34/57/864523457.db2.gz IRUHLLYOJOAKIB-NSHDSACASA-N 2 2 321.381 1.000 20 5 DDBDLP Cc1[nH+]c2c(n1-c1nc(Cl)ncc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352492 869539777 /nfs/dbraw/zinc/53/97/77/869539777.db2.gz VTTWZNIFBYUPOI-UHFFFAOYSA-N 2 2 308.729 1.221 20 5 DDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338719797 870131531 /nfs/dbraw/zinc/13/15/31/870131531.db2.gz JXJJLLDNMIHZAG-UONOGXRCSA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001338719797 870131536 /nfs/dbraw/zinc/13/15/36/870131536.db2.gz JXJJLLDNMIHZAG-UONOGXRCSA-N 2 2 323.393 1.408 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448159 355313718 /nfs/dbraw/zinc/31/37/18/355313718.db2.gz FFIKJEOEZQZMKX-GXTWGEPZSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591448159 355313719 /nfs/dbraw/zinc/31/37/19/355313719.db2.gz FFIKJEOEZQZMKX-GXTWGEPZSA-N 2 2 318.377 1.607 20 5 DDBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000601328567 358499450 /nfs/dbraw/zinc/49/94/50/358499450.db2.gz TVBDUOINNXBTFQ-UHFFFAOYSA-N 2 2 309.366 1.020 20 5 DDBDLP Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593905956 356051742 /nfs/dbraw/zinc/05/17/42/356051742.db2.gz PWCRJGQUKXMULP-YPMHNXCESA-N 2 2 308.382 1.359 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867506 356684954 /nfs/dbraw/zinc/68/49/54/356684954.db2.gz NOESAXJUQZPLHU-MRXNPFEDSA-N 2 2 305.378 1.626 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867506 356684959 /nfs/dbraw/zinc/68/49/59/356684959.db2.gz NOESAXJUQZPLHU-MRXNPFEDSA-N 2 2 305.378 1.626 20 5 DDBDLP CC[N@H+](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000600717552 358293687 /nfs/dbraw/zinc/29/36/87/358293687.db2.gz QUUQAZNJKQAUFO-UHFFFAOYSA-N 2 2 310.354 1.213 20 5 DDBDLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000600717552 358293692 /nfs/dbraw/zinc/29/36/92/358293692.db2.gz QUUQAZNJKQAUFO-UHFFFAOYSA-N 2 2 310.354 1.213 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600684196 358282502 /nfs/dbraw/zinc/28/25/02/358282502.db2.gz ZFPMOIFQDCBUGK-UHIISALHSA-N 2 2 306.366 1.652 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565178 363676742 /nfs/dbraw/zinc/67/67/42/363676742.db2.gz GCTIJXKZWIDRME-MELADBBJSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000618565178 363676750 /nfs/dbraw/zinc/67/67/50/363676750.db2.gz GCTIJXKZWIDRME-MELADBBJSA-N 2 2 307.398 1.959 20 5 DDBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000261923741 407675909 /nfs/dbraw/zinc/67/59/09/407675909.db2.gz YYGVEEABTFVBHF-HNNXBMFYSA-N 2 2 317.349 1.816 20 5 DDBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000261923741 407675914 /nfs/dbraw/zinc/67/59/14/407675914.db2.gz YYGVEEABTFVBHF-HNNXBMFYSA-N 2 2 317.349 1.816 20 5 DDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262587154 407875264 /nfs/dbraw/zinc/87/52/64/407875264.db2.gz ZWRWMYPKOMWTMG-BBRMVZONSA-N 2 2 304.394 1.635 20 5 DDBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000118841581 407954775 /nfs/dbraw/zinc/95/47/75/407954775.db2.gz RZPPKMJOWJODGK-GFCCVEGCSA-N 2 2 320.393 1.467 20 5 DDBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000118841581 407954778 /nfs/dbraw/zinc/95/47/78/407954778.db2.gz RZPPKMJOWJODGK-GFCCVEGCSA-N 2 2 320.393 1.467 20 5 DDBDLP C[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000118841581 407954782 /nfs/dbraw/zinc/95/47/82/407954782.db2.gz RZPPKMJOWJODGK-GFCCVEGCSA-N 2 2 320.393 1.467 20 5 DDBDLP C[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841581 407954787 /nfs/dbraw/zinc/95/47/87/407954787.db2.gz RZPPKMJOWJODGK-GFCCVEGCSA-N 2 2 320.393 1.467 20 5 DDBDLP O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000373581163 418442269 /nfs/dbraw/zinc/44/22/69/418442269.db2.gz DLFGYDZYNYUHGP-CYBMUJFWSA-N 2 2 304.354 1.715 20 5 DDBDLP O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000373581163 418442271 /nfs/dbraw/zinc/44/22/71/418442271.db2.gz DLFGYDZYNYUHGP-CYBMUJFWSA-N 2 2 304.354 1.715 20 5 DDBDLP C[NH2+]C[C@@H](C)CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423279746 420001271 /nfs/dbraw/zinc/00/12/71/420001271.db2.gz TUEXSVVUQHHRGK-DOMZBBRYSA-N 2 2 317.393 1.863 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423550556 420079418 /nfs/dbraw/zinc/07/94/18/420079418.db2.gz FQCURCUGPJNMRL-AAEUAGOBSA-N 2 2 309.366 1.633 20 5 DDBDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420347815 420226122 /nfs/dbraw/zinc/22/61/22/420226122.db2.gz ZJDQWYMVYFRGNC-CHWSQXEVSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420347815 420226128 /nfs/dbraw/zinc/22/61/28/420226128.db2.gz ZJDQWYMVYFRGNC-CHWSQXEVSA-N 2 2 320.393 1.983 20 5 DDBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261927496 295237173 /nfs/dbraw/zinc/23/71/73/295237173.db2.gz JAFDPGXLFRBUDE-LBPRGKRZSA-N 2 2 306.366 1.737 20 5 DDBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261927496 295237174 /nfs/dbraw/zinc/23/71/74/295237174.db2.gz JAFDPGXLFRBUDE-LBPRGKRZSA-N 2 2 306.366 1.737 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423234572 303004279 /nfs/dbraw/zinc/00/42/79/303004279.db2.gz LZFSVUJJGNJKJC-DZGCQCFKSA-N 2 2 315.377 1.759 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000531970539 303268194 /nfs/dbraw/zinc/26/81/94/303268194.db2.gz CRTUHCUNKJGXHM-DZGCQCFKSA-N 2 2 306.410 1.800 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000534128704 303326517 /nfs/dbraw/zinc/32/65/17/303326517.db2.gz OPFDWOJLAQONKS-UHFFFAOYSA-N 2 2 316.365 1.763 20 5 DDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568621008 308124550 /nfs/dbraw/zinc/12/45/50/308124550.db2.gz KIQRXOYMCMWAJH-OLZOCXBDSA-N 2 2 320.349 1.209 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819244437 704094153 /nfs/dbraw/zinc/09/41/53/704094153.db2.gz KGODXMUJGXFXQW-TZMCWYRMSA-N 2 2 302.334 1.429 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000897229715 708262809 /nfs/dbraw/zinc/26/28/09/708262809.db2.gz WENIIUNWGFJRLG-QGZVFWFLSA-N 2 2 319.405 1.980 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000897229715 708262810 /nfs/dbraw/zinc/26/28/10/708262810.db2.gz WENIIUNWGFJRLG-QGZVFWFLSA-N 2 2 319.405 1.980 20 5 DDBDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931281563 714056225 /nfs/dbraw/zinc/05/62/25/714056225.db2.gz UHXCQFNOWNRQFW-FOLVSLTJSA-N 2 2 318.377 1.415 20 5 DDBDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931281563 714056227 /nfs/dbraw/zinc/05/62/27/714056227.db2.gz UHXCQFNOWNRQFW-FOLVSLTJSA-N 2 2 318.377 1.415 20 5 DDBDLP Cc1nc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416543 867267557 /nfs/dbraw/zinc/26/75/57/867267557.db2.gz FZCCCNPWJYPGLN-LBPRGKRZSA-N 2 2 320.397 1.274 20 5 DDBDLP Cc1nc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416543 867267575 /nfs/dbraw/zinc/26/75/75/867267575.db2.gz FZCCCNPWJYPGLN-LBPRGKRZSA-N 2 2 320.397 1.274 20 5 DDBDLP CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001336845931 869180883 /nfs/dbraw/zinc/18/08/83/869180883.db2.gz SHLMNAPRQPNXPB-CQSZACIVSA-N 2 2 304.350 1.850 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000139798467 354131460 /nfs/dbraw/zinc/13/14/60/354131460.db2.gz XJGNAWANDAUAML-UHFFFAOYSA-N 2 2 322.413 1.299 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594502526 356238646 /nfs/dbraw/zinc/23/86/46/356238646.db2.gz KIIUTQHOMRAUKZ-INIZCTEOSA-N 2 2 305.378 1.938 20 5 DDBDLP O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000595886666 356692003 /nfs/dbraw/zinc/69/20/03/356692003.db2.gz XXCBFFJEUDUMQH-MRXNPFEDSA-N 2 2 321.377 1.426 20 5 DDBDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596653917 356943368 /nfs/dbraw/zinc/94/33/68/356943368.db2.gz MIRMZTGNCPDWAN-SECBINFHSA-N 2 2 303.322 1.400 20 5 DDBDLP COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681746 357685303 /nfs/dbraw/zinc/68/53/03/357685303.db2.gz JIJPDRJQEQHHBW-LRDDRELGSA-N 2 2 321.377 1.795 20 5 DDBDLP COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1 ZINC000598681746 357685309 /nfs/dbraw/zinc/68/53/09/357685309.db2.gz JIJPDRJQEQHHBW-LRDDRELGSA-N 2 2 321.377 1.795 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484126 359009818 /nfs/dbraw/zinc/00/98/18/359009818.db2.gz HPIFYHOSWNSOLR-DOMZBBRYSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484126 359009823 /nfs/dbraw/zinc/00/98/23/359009823.db2.gz HPIFYHOSWNSOLR-DOMZBBRYSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484126 359009827 /nfs/dbraw/zinc/00/98/27/359009827.db2.gz HPIFYHOSWNSOLR-DOMZBBRYSA-N 2 2 319.409 1.777 20 5 DDBDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484126 359009832 /nfs/dbraw/zinc/00/98/32/359009832.db2.gz HPIFYHOSWNSOLR-DOMZBBRYSA-N 2 2 319.409 1.777 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963067 359326080 /nfs/dbraw/zinc/32/60/80/359326080.db2.gz SUXQZCXHFSPJPB-GDBMZVCRSA-N 2 2 307.394 1.876 20 5 DDBDLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963067 359326085 /nfs/dbraw/zinc/32/60/85/359326085.db2.gz SUXQZCXHFSPJPB-GDBMZVCRSA-N 2 2 307.394 1.876 20 5 DDBDLP C[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120545239 195187495 /nfs/dbraw/zinc/18/74/95/195187495.db2.gz KDFDDBVHLDLNAK-UHFFFAOYSA-N 2 2 303.322 1.072 20 5 DDBDLP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182243906 408101724 /nfs/dbraw/zinc/10/17/24/408101724.db2.gz NNRMCZCZWCUUIC-CQSZACIVSA-N 2 2 323.393 1.361 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298020340 410081587 /nfs/dbraw/zinc/08/15/87/410081587.db2.gz DOYBNTLUUZDOFT-CQSZACIVSA-N 2 2 319.409 1.596 20 5 DDBDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298020340 410081591 /nfs/dbraw/zinc/08/15/91/410081591.db2.gz DOYBNTLUUZDOFT-CQSZACIVSA-N 2 2 319.409 1.596 20 5 DDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147080 410544677 /nfs/dbraw/zinc/54/46/77/410544677.db2.gz ZSHWDCYCWSRVJJ-UHFFFAOYSA-N 2 2 323.397 1.021 20 5 DDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147080 410544681 /nfs/dbraw/zinc/54/46/81/410544681.db2.gz ZSHWDCYCWSRVJJ-UHFFFAOYSA-N 2 2 323.397 1.021 20 5 DDBDLP Cc1c([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673531 410865428 /nfs/dbraw/zinc/86/54/28/410865428.db2.gz HKGPOMFCILMVPH-KBPBESRZSA-N 2 2 306.410 1.800 20 5 DDBDLP Cc1c([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673531 410865433 /nfs/dbraw/zinc/86/54/33/410865433.db2.gz HKGPOMFCILMVPH-KBPBESRZSA-N 2 2 306.410 1.800 20 5 DDBDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576036 701898493 /nfs/dbraw/zinc/89/84/93/701898493.db2.gz HKIVUIJNQFUYRK-YUTCNCBUSA-N 2 2 320.393 1.691 20 5 DDBDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576036 701898499 /nfs/dbraw/zinc/89/84/99/701898499.db2.gz HKIVUIJNQFUYRK-YUTCNCBUSA-N 2 2 320.393 1.691 20 5 DDBDLP COCC[NH2+]CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841048429 702324288 /nfs/dbraw/zinc/32/42/88/702324288.db2.gz ONZFGELZCRTUAH-UHFFFAOYSA-N 2 2 322.409 1.389 20 5 DDBDLP CCO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000905577778 712084198 /nfs/dbraw/zinc/08/41/98/712084198.db2.gz BOORPHKLJLUQNL-HUUCEWRRSA-N 2 2 311.382 1.185 20 5 DDBDLP CCO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000905577779 712084233 /nfs/dbraw/zinc/08/42/33/712084233.db2.gz BOORPHKLJLUQNL-LSDHHAIUSA-N 2 2 311.382 1.185 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001169075306 762223779 /nfs/dbraw/zinc/22/37/79/762223779.db2.gz QEVLJCNXXZMILW-LLVKDONJSA-N 2 2 312.329 1.796 20 5 DDBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC001158258873 767907166 /nfs/dbraw/zinc/90/71/66/767907166.db2.gz KXLGRHQUAIQYKR-JTQLQIEISA-N 2 2 309.345 1.131 20 5 DDBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC001158258873 767907169 /nfs/dbraw/zinc/90/71/69/767907169.db2.gz KXLGRHQUAIQYKR-JTQLQIEISA-N 2 2 309.345 1.131 20 5 DDBDLP COc1cc(C)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155057302 861690364 /nfs/dbraw/zinc/69/03/64/861690364.db2.gz CNBOPUBNKPFZFZ-UHFFFAOYSA-N 2 2 317.349 1.960 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000090550245 185302458 /nfs/dbraw/zinc/30/24/58/185302458.db2.gz IGPUKPJWPPTCRV-AWEZNQCLSA-N 2 2 320.393 1.174 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000090550245 185302459 /nfs/dbraw/zinc/30/24/59/185302459.db2.gz IGPUKPJWPPTCRV-AWEZNQCLSA-N 2 2 320.393 1.174 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281844 355277711 /nfs/dbraw/zinc/27/77/11/355277711.db2.gz OOSVPOFGYQWBHW-MDZLAQPJSA-N 2 2 324.356 1.602 20 5 DDBDLP C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000601327376 358498438 /nfs/dbraw/zinc/49/84/38/358498438.db2.gz UKXQXWBZVNTDEJ-DGCLKSJQSA-N 2 2 318.377 1.011 20 5 DDBDLP C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000601327376 358498443 /nfs/dbraw/zinc/49/84/43/358498443.db2.gz UKXQXWBZVNTDEJ-DGCLKSJQSA-N 2 2 318.377 1.011 20 5 DDBDLP Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593905953 356051677 /nfs/dbraw/zinc/05/16/77/356051677.db2.gz PWCRJGQUKXMULP-AAEUAGOBSA-N 2 2 308.382 1.359 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](N[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000596648194 356940791 /nfs/dbraw/zinc/94/07/91/356940791.db2.gz KYPBVWDIZDZRCC-JSGCOSHPSA-N 2 2 301.350 1.369 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989554 357407268 /nfs/dbraw/zinc/40/72/68/357407268.db2.gz GCDCFWKIRKCWCI-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989554 357407271 /nfs/dbraw/zinc/40/72/71/357407271.db2.gz GCDCFWKIRKCWCI-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000598991028 357785401 /nfs/dbraw/zinc/78/54/01/357785401.db2.gz SPBBCNRTJAZUPZ-AWEZNQCLSA-N 2 2 306.366 1.024 20 5 DDBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000598991028 357785402 /nfs/dbraw/zinc/78/54/02/357785402.db2.gz SPBBCNRTJAZUPZ-AWEZNQCLSA-N 2 2 306.366 1.024 20 5 DDBDLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600729403 358298688 /nfs/dbraw/zinc/29/86/88/358298688.db2.gz FZMCYXDTIBBRNZ-UHFFFAOYSA-N 2 2 324.381 1.010 20 5 DDBDLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600729403 358298689 /nfs/dbraw/zinc/29/86/89/358298689.db2.gz FZMCYXDTIBBRNZ-UHFFFAOYSA-N 2 2 324.381 1.010 20 5 DDBDLP C[NH+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000192808324 306726036 /nfs/dbraw/zinc/72/60/36/306726036.db2.gz XXJBVHQXIVUSOE-UHFFFAOYSA-N 2 2 303.322 1.072 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856778 410294193 /nfs/dbraw/zinc/29/41/93/410294193.db2.gz WFYKWZVJQYHVRZ-NWDGAFQWSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000351856778 410294197 /nfs/dbraw/zinc/29/41/97/410294197.db2.gz WFYKWZVJQYHVRZ-NWDGAFQWSA-N 2 2 306.366 1.227 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351861724 410300825 /nfs/dbraw/zinc/30/08/25/410300825.db2.gz MABGXQZQRQDGFE-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351861724 410300828 /nfs/dbraw/zinc/30/08/28/410300828.db2.gz MABGXQZQRQDGFE-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423178631 227391184 /nfs/dbraw/zinc/39/11/84/227391184.db2.gz CGLWDTBKRYKZDT-UKRRQHHQSA-N 2 2 315.377 1.759 20 5 DDBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651416 418888744 /nfs/dbraw/zinc/88/87/44/418888744.db2.gz VYDNMSQSNIDZPW-GFCCVEGCSA-N 2 2 304.354 1.404 20 5 DDBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651416 418888746 /nfs/dbraw/zinc/88/87/46/418888746.db2.gz VYDNMSQSNIDZPW-GFCCVEGCSA-N 2 2 304.354 1.404 20 5 DDBDLP Cc1ccnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000372957581 418916585 /nfs/dbraw/zinc/91/65/85/418916585.db2.gz ZUEOVVYAFGBGQL-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1ccnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000372957581 418916586 /nfs/dbraw/zinc/91/65/86/418916586.db2.gz ZUEOVVYAFGBGQL-ZDUSSCGKSA-N 2 2 319.409 1.879 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000414962921 419896098 /nfs/dbraw/zinc/89/60/98/419896098.db2.gz SYSCDVJLGFCTJI-ZYHUDNBSSA-N 2 2 309.366 1.700 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759111 420708711 /nfs/dbraw/zinc/70/87/11/420708711.db2.gz KGJMNTNXFKZLLW-GRYCIOLGSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442759111 420708714 /nfs/dbraw/zinc/70/87/14/420708714.db2.gz KGJMNTNXFKZLLW-GRYCIOLGSA-N 2 2 306.366 1.591 20 5 DDBDLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442794721 420716996 /nfs/dbraw/zinc/71/69/96/420716996.db2.gz UDNVQEPUVTXOJG-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442794721 420716999 /nfs/dbraw/zinc/71/69/99/420716999.db2.gz UDNVQEPUVTXOJG-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP CC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000570292981 421636047 /nfs/dbraw/zinc/63/60/47/421636047.db2.gz GZPGWFYIPMQSNN-AWEZNQCLSA-N 2 2 304.350 1.771 20 5 DDBDLP CC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000570292981 421636049 /nfs/dbraw/zinc/63/60/49/421636049.db2.gz GZPGWFYIPMQSNN-AWEZNQCLSA-N 2 2 304.350 1.771 20 5 DDBDLP Cc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000519812473 421729666 /nfs/dbraw/zinc/72/96/66/421729666.db2.gz WITRAABETRWRNH-NSHDSACASA-N 2 2 307.354 1.010 20 5 DDBDLP Cc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000519812473 421729667 /nfs/dbraw/zinc/72/96/67/421729667.db2.gz WITRAABETRWRNH-NSHDSACASA-N 2 2 307.354 1.010 20 5 DDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572420033 421784972 /nfs/dbraw/zinc/78/49/72/421784972.db2.gz GYKKWDQJGVKQNX-JQWIXIFHSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572420033 421784974 /nfs/dbraw/zinc/78/49/74/421784974.db2.gz GYKKWDQJGVKQNX-JQWIXIFHSA-N 2 2 317.349 1.956 20 5 DDBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000336853010 280282668 /nfs/dbraw/zinc/28/26/68/280282668.db2.gz CAIGLUBRLXKENE-CYBMUJFWSA-N 2 2 308.382 1.499 20 5 DDBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000336853010 280282670 /nfs/dbraw/zinc/28/26/70/280282670.db2.gz CAIGLUBRLXKENE-CYBMUJFWSA-N 2 2 308.382 1.499 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423317832 303003732 /nfs/dbraw/zinc/00/37/32/303003732.db2.gz KRJPNVPFUBXPNS-HUUCEWRRSA-N 2 2 315.377 1.745 20 5 DDBDLP COc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000564666073 308002637 /nfs/dbraw/zinc/00/26/37/308002637.db2.gz MDPOLYZDKWLXMZ-UHFFFAOYSA-N 2 2 317.349 1.649 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000843086806 702816165 /nfs/dbraw/zinc/81/61/65/702816165.db2.gz HUUDLVPJKIQTBT-HZPDHXFCSA-N 2 2 323.393 1.065 20 5 DDBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000843086806 702816167 /nfs/dbraw/zinc/81/61/67/702816167.db2.gz HUUDLVPJKIQTBT-HZPDHXFCSA-N 2 2 323.393 1.065 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473083 710764435 /nfs/dbraw/zinc/76/44/35/710764435.db2.gz QJEQEYMUXBEIBN-MMMKDXCPSA-N 2 2 318.377 1.794 20 5 DDBDLP Cc1ccnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001156177015 862776304 /nfs/dbraw/zinc/77/63/04/862776304.db2.gz YFCKLBIRXUSGTG-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP Cc1nc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416541 867266747 /nfs/dbraw/zinc/26/67/47/867266747.db2.gz FZCCCNPWJYPGLN-GFCCVEGCSA-N 2 2 320.397 1.274 20 5 DDBDLP Cc1nc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416541 867266759 /nfs/dbraw/zinc/26/67/59/867266759.db2.gz FZCCCNPWJYPGLN-GFCCVEGCSA-N 2 2 320.397 1.274 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489416 355597811 /nfs/dbraw/zinc/59/78/11/355597811.db2.gz VDPGKZJUSSPGBV-XQQFMLRXSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489416 355597813 /nfs/dbraw/zinc/59/78/13/355597813.db2.gz VDPGKZJUSSPGBV-XQQFMLRXSA-N 2 2 320.393 1.981 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347113934 283182979 /nfs/dbraw/zinc/18/29/79/283182979.db2.gz SQLKGQHINVFXJD-NSHDSACASA-N 2 2 309.366 1.653 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000347113934 283182983 /nfs/dbraw/zinc/18/29/83/283182983.db2.gz SQLKGQHINVFXJD-NSHDSACASA-N 2 2 309.366 1.653 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867569 356684900 /nfs/dbraw/zinc/68/49/00/356684900.db2.gz OUZSTERCCBGRBX-KRWDZBQOSA-N 2 2 319.405 1.668 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867569 356684903 /nfs/dbraw/zinc/68/49/03/356684903.db2.gz OUZSTERCCBGRBX-KRWDZBQOSA-N 2 2 319.405 1.668 20 5 DDBDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000266181890 205163631 /nfs/dbraw/zinc/16/36/31/205163631.db2.gz SLSYDUJBMFOTSX-GFCCVEGCSA-N 2 2 320.393 1.996 20 5 DDBDLP Cc1cc[nH+]c(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000166122655 162165040 /nfs/dbraw/zinc/16/50/40/162165040.db2.gz QOVGUFRSPUSFNY-UHFFFAOYSA-N 2 2 316.365 1.317 20 5 DDBDLP Cc1c(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cccc1[N+](=O)[O-] ZINC000318561476 164031916 /nfs/dbraw/zinc/03/19/16/164031916.db2.gz KRRNXVUDLOZKRD-UHFFFAOYSA-N 2 2 303.366 1.993 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428033814 419793462 /nfs/dbraw/zinc/79/34/62/419793462.db2.gz NCQGAEVNFKAWSI-GXTWGEPZSA-N 2 2 321.377 1.666 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428033814 419793467 /nfs/dbraw/zinc/79/34/67/419793467.db2.gz NCQGAEVNFKAWSI-GXTWGEPZSA-N 2 2 321.377 1.666 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000574982697 422227902 /nfs/dbraw/zinc/22/79/02/422227902.db2.gz HVIOKZCMDZKOCE-AWEZNQCLSA-N 2 2 309.366 1.148 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000574982697 422227906 /nfs/dbraw/zinc/22/79/06/422227906.db2.gz HVIOKZCMDZKOCE-AWEZNQCLSA-N 2 2 309.366 1.148 20 5 DDBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430562970 275691923 /nfs/dbraw/zinc/69/19/23/275691923.db2.gz HCZWUZXQMXSKEX-MRXNPFEDSA-N 2 2 320.393 1.447 20 5 DDBDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809571439 701670474 /nfs/dbraw/zinc/67/04/74/701670474.db2.gz RLHTWFJNZSMGOM-UHFFFAOYSA-N 2 2 315.377 1.693 20 5 DDBDLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001169204469 762277384 /nfs/dbraw/zinc/27/73/84/762277384.db2.gz LADHWZJASQCWSC-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001157915168 864258261 /nfs/dbraw/zinc/25/82/61/864258261.db2.gz SGAWFCVBLOKGII-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259181 864520904 /nfs/dbraw/zinc/52/09/04/864520904.db2.gz OULIFPOYCCDTEO-GFCCVEGCSA-N 2 2 305.382 1.300 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259181 864520907 /nfs/dbraw/zinc/52/09/07/864520907.db2.gz OULIFPOYCCDTEO-GFCCVEGCSA-N 2 2 305.382 1.300 20 5 DDBDLP C[N@@H+]1CC[C@@](O)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244220 529801108 /nfs/dbraw/zinc/80/11/08/529801108.db2.gz ZFBPQJSEUZTPPB-OAHLLOKOSA-N 2 2 302.334 1.622 20 5 DDBDLP C[N@H+]1CC[C@@](O)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244220 529801109 /nfs/dbraw/zinc/80/11/09/529801109.db2.gz ZFBPQJSEUZTPPB-OAHLLOKOSA-N 2 2 302.334 1.622 20 5 DDBDLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000596104401 356772733 /nfs/dbraw/zinc/77/27/33/356772733.db2.gz DGFKUWVHTKHYOJ-NSHDSACASA-N 2 2 303.366 1.693 20 5 DDBDLP O=[N+]([O-])c1c(NCC[N@H+]2CC[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599175416 357840060 /nfs/dbraw/zinc/84/00/60/357840060.db2.gz ATFBQXVQPDLBNZ-GFCCVEGCSA-N 2 2 302.334 1.622 20 5 DDBDLP O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599175416 357840062 /nfs/dbraw/zinc/84/00/62/357840062.db2.gz ATFBQXVQPDLBNZ-GFCCVEGCSA-N 2 2 302.334 1.622 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193625051 201090489 /nfs/dbraw/zinc/09/04/89/201090489.db2.gz PJAFRRFBIPBKPI-OKILXGFUSA-N 2 2 305.378 1.987 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193625051 201090491 /nfs/dbraw/zinc/09/04/91/201090491.db2.gz PJAFRRFBIPBKPI-OKILXGFUSA-N 2 2 305.378 1.987 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193625051 201090494 /nfs/dbraw/zinc/09/04/94/201090494.db2.gz PJAFRRFBIPBKPI-OKILXGFUSA-N 2 2 305.378 1.987 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193625051 201090497 /nfs/dbraw/zinc/09/04/97/201090497.db2.gz PJAFRRFBIPBKPI-OKILXGFUSA-N 2 2 305.378 1.987 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353444063 285735983 /nfs/dbraw/zinc/73/59/83/285735983.db2.gz FSDMYZFLSSOTKC-OAHLLOKOSA-N 2 2 317.393 1.959 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423326293 420013840 /nfs/dbraw/zinc/01/38/40/420013840.db2.gz QWQZFMQKXZWXGB-GJZGRUSLSA-N 2 2 315.377 1.745 20 5 DDBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430933439 420213159 /nfs/dbraw/zinc/21/31/59/420213159.db2.gz KTRLQMHAJWBPEF-JTQLQIEISA-N 2 2 303.322 1.425 20 5 DDBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430933439 420213164 /nfs/dbraw/zinc/21/31/64/420213164.db2.gz KTRLQMHAJWBPEF-JTQLQIEISA-N 2 2 303.322 1.425 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939899 420214531 /nfs/dbraw/zinc/21/45/31/420214531.db2.gz MUPRRTFZPZERRG-JTNHKYCSSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939899 420214534 /nfs/dbraw/zinc/21/45/34/420214534.db2.gz MUPRRTFZPZERRG-JTNHKYCSSA-N 2 2 306.366 1.591 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972740 420227741 /nfs/dbraw/zinc/22/77/41/420227741.db2.gz UATYWFXPHZBUAV-NWDGAFQWSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972740 420227744 /nfs/dbraw/zinc/22/77/44/420227744.db2.gz UATYWFXPHZBUAV-NWDGAFQWSA-N 2 2 306.366 1.463 20 5 DDBDLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228306 277159255 /nfs/dbraw/zinc/15/92/55/277159255.db2.gz OJZOZNGWYMZMKJ-NVXWUHKLSA-N 2 2 319.405 1.973 20 5 DDBDLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228306 277159257 /nfs/dbraw/zinc/15/92/57/277159257.db2.gz OJZOZNGWYMZMKJ-NVXWUHKLSA-N 2 2 319.405 1.973 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000561360009 307926422 /nfs/dbraw/zinc/92/64/22/307926422.db2.gz OTROTBNLFNOYFD-UHFFFAOYSA-N 2 2 316.365 1.399 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946617 698446696 /nfs/dbraw/zinc/44/66/96/698446696.db2.gz MJVFCLJORCZAHF-PWSUYJOCSA-N 2 2 306.366 1.253 20 5 DDBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946617 698446698 /nfs/dbraw/zinc/44/66/98/698446698.db2.gz MJVFCLJORCZAHF-PWSUYJOCSA-N 2 2 306.366 1.253 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000843062701 702811400 /nfs/dbraw/zinc/81/14/00/702811400.db2.gz RERBHLNKBIXNKW-JKSUJKDBSA-N 2 2 323.393 1.065 20 5 DDBDLP Cc1cc(N2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)nc(C)[nH+]1 ZINC001169027852 762184630 /nfs/dbraw/zinc/18/46/30/762184630.db2.gz RDYVFLNCCWAYPI-GJZGRUSLSA-N 2 2 319.409 1.661 20 5 DDBDLP CCOc1nc(NCC[NH+]2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161870052 867052108 /nfs/dbraw/zinc/05/21/08/867052108.db2.gz DUYHJSWXNUQWSX-UHFFFAOYSA-N 2 2 309.370 1.224 20 5 DDBDLP C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229949416 884242889 /nfs/dbraw/zinc/24/28/89/884242889.db2.gz AIZCDVVBBFZCTB-CQSZACIVSA-N 2 2 304.370 1.235 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001254571594 896508282 /nfs/dbraw/zinc/50/82/82/896508282.db2.gz YMOAWXIWSRBPPY-CQSZACIVSA-N 2 2 318.421 1.457 20 5 DDBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432680 355582193 /nfs/dbraw/zinc/58/21/93/355582193.db2.gz LHMBCPQMOYXWDC-HNNXBMFYSA-N 2 2 307.350 1.537 20 5 DDBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432680 355582196 /nfs/dbraw/zinc/58/21/96/355582196.db2.gz LHMBCPQMOYXWDC-HNNXBMFYSA-N 2 2 307.350 1.537 20 5 DDBDLP Cc1c([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000596652778 356942540 /nfs/dbraw/zinc/94/25/40/356942540.db2.gz HJGWGGDLYPUSFM-SNVBAGLBSA-N 2 2 317.349 1.708 20 5 DDBDLP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602476973 359003629 /nfs/dbraw/zinc/00/36/29/359003629.db2.gz HZXOIZQTYRGOSI-AWEZNQCLSA-N 2 2 307.398 1.779 20 5 DDBDLP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602476973 359003633 /nfs/dbraw/zinc/00/36/33/359003633.db2.gz HZXOIZQTYRGOSI-AWEZNQCLSA-N 2 2 307.398 1.779 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[NH+]3CCCC3)CC2)cn1 ZINC000602587213 359057960 /nfs/dbraw/zinc/05/79/60/359057960.db2.gz PSSZYAVJWOUQQX-UHFFFAOYSA-N 2 2 319.409 1.644 20 5 DDBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000266968360 407696393 /nfs/dbraw/zinc/69/63/93/407696393.db2.gz YUPDUPBTEZEWTL-UHFFFAOYSA-N 2 2 312.439 1.726 20 5 DDBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000266968360 407696398 /nfs/dbraw/zinc/69/63/98/407696398.db2.gz YUPDUPBTEZEWTL-UHFFFAOYSA-N 2 2 312.439 1.726 20 5 DDBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262587181 407874177 /nfs/dbraw/zinc/87/41/77/407874177.db2.gz ZWRWMYPKOMWTMG-XJKSGUPXSA-N 2 2 304.394 1.635 20 5 DDBDLP C[C@H](CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272497363 407950632 /nfs/dbraw/zinc/95/06/32/407950632.db2.gz GCIVIFJGOIUMCO-DOMZBBRYSA-N 2 2 317.393 1.957 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358132109 410379066 /nfs/dbraw/zinc/37/90/66/410379066.db2.gz GMFMLLZVKOZNFX-OAHLLOKOSA-N 2 2 309.366 1.150 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358132109 410379075 /nfs/dbraw/zinc/37/90/75/410379075.db2.gz GMFMLLZVKOZNFX-OAHLLOKOSA-N 2 2 309.366 1.150 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365633761 418886689 /nfs/dbraw/zinc/88/66/89/418886689.db2.gz WIWGCESWCKCTOQ-NSHDSACASA-N 2 2 304.354 1.441 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365633761 418886692 /nfs/dbraw/zinc/88/66/92/418886692.db2.gz WIWGCESWCKCTOQ-NSHDSACASA-N 2 2 304.354 1.441 20 5 DDBDLP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420290197 420184051 /nfs/dbraw/zinc/18/40/51/420184051.db2.gz LMSPBEDFMLCXRQ-WFASDCNBSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420290197 420184056 /nfs/dbraw/zinc/18/40/56/420184056.db2.gz LMSPBEDFMLCXRQ-WFASDCNBSA-N 2 2 320.393 1.983 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420298024 420188632 /nfs/dbraw/zinc/18/86/32/420188632.db2.gz ZNRPRFCZLOEASW-NSHDSACASA-N 2 2 322.365 1.355 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000420298024 420188637 /nfs/dbraw/zinc/18/86/37/420188637.db2.gz ZNRPRFCZLOEASW-NSHDSACASA-N 2 2 322.365 1.355 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000420298269 420189816 /nfs/dbraw/zinc/18/98/16/420189816.db2.gz ZUTYWVCRLGHROK-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000420298269 420189820 /nfs/dbraw/zinc/18/98/20/420189820.db2.gz ZUTYWVCRLGHROK-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430574946 420144188 /nfs/dbraw/zinc/14/41/88/420144188.db2.gz PJHVPJYDXAUDMA-ZDUSSCGKSA-N 2 2 306.366 1.655 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000430574946 420144189 /nfs/dbraw/zinc/14/41/89/420144189.db2.gz PJHVPJYDXAUDMA-ZDUSSCGKSA-N 2 2 306.366 1.655 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423492140 275038401 /nfs/dbraw/zinc/03/84/01/275038401.db2.gz LWOWDBGALJZDJX-GDBMZVCRSA-N 2 2 305.378 1.940 20 5 DDBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000157462722 521564857 /nfs/dbraw/zinc/56/48/57/521564857.db2.gz BIENXUYBHOSLSD-UHFFFAOYSA-N 2 2 320.393 1.610 20 5 DDBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000157462722 521564861 /nfs/dbraw/zinc/56/48/61/521564861.db2.gz BIENXUYBHOSLSD-UHFFFAOYSA-N 2 2 320.393 1.610 20 5 DDBDLP Cc1[nH+]c2c(n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352969 869539231 /nfs/dbraw/zinc/53/92/31/869539231.db2.gz KBHNLFUSOHOJAX-UHFFFAOYSA-N 2 2 318.293 1.080 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254466169 896454011 /nfs/dbraw/zinc/45/40/11/896454011.db2.gz WLYJRJZEXBTIHZ-INIZCTEOSA-N 2 2 320.393 1.223 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254466169 896454019 /nfs/dbraw/zinc/45/40/19/896454019.db2.gz WLYJRJZEXBTIHZ-INIZCTEOSA-N 2 2 320.393 1.223 20 5 DDBDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733988 355374104 /nfs/dbraw/zinc/37/41/04/355374104.db2.gz SJHFNNOYBYLQBE-STQMWFEESA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591733988 355374108 /nfs/dbraw/zinc/37/41/08/355374108.db2.gz SJHFNNOYBYLQBE-STQMWFEESA-N 2 2 309.366 1.018 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000593727029 355977429 /nfs/dbraw/zinc/97/74/29/355977429.db2.gz APWCMFNOQRIXEH-CYBMUJFWSA-N 2 2 321.377 1.488 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000593727029 355977432 /nfs/dbraw/zinc/97/74/32/355977432.db2.gz APWCMFNOQRIXEH-CYBMUJFWSA-N 2 2 321.377 1.488 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594502527 356238142 /nfs/dbraw/zinc/23/81/42/356238142.db2.gz KIIUTQHOMRAUKZ-MRXNPFEDSA-N 2 2 305.378 1.938 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594501974 356238785 /nfs/dbraw/zinc/23/87/85/356238785.db2.gz GNAVEBJPJOMEAZ-OAHLLOKOSA-N 2 2 305.378 1.938 20 5 DDBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347110713 283180786 /nfs/dbraw/zinc/18/07/86/283180786.db2.gz PSKNHWOCSDSJKX-VIFPVBQESA-N 2 2 301.293 1.977 20 5 DDBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000347110713 283180788 /nfs/dbraw/zinc/18/07/88/283180788.db2.gz PSKNHWOCSDSJKX-VIFPVBQESA-N 2 2 301.293 1.977 20 5 DDBDLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067270 356760458 /nfs/dbraw/zinc/76/04/58/356760458.db2.gz YGPNBXUNMFOTCT-UONOGXRCSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067270 356760460 /nfs/dbraw/zinc/76/04/60/356760460.db2.gz YGPNBXUNMFOTCT-UONOGXRCSA-N 2 2 323.393 1.408 20 5 DDBDLP Cc1[nH+]cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C ZINC000596989686 357034848 /nfs/dbraw/zinc/03/48/48/357034848.db2.gz VENOFBQVGOAQQC-UHFFFAOYSA-N 2 2 315.377 1.959 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000599087540 357811342 /nfs/dbraw/zinc/81/13/42/357811342.db2.gz JTAYIUUERGNUGB-DOMZBBRYSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000599087540 357811344 /nfs/dbraw/zinc/81/13/44/357811344.db2.gz JTAYIUUERGNUGB-DOMZBBRYSA-N 2 2 320.393 1.996 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000179634262 199067902 /nfs/dbraw/zinc/06/79/02/199067902.db2.gz CZBATYYTHYXKQE-LBPRGKRZSA-N 2 2 323.393 1.996 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000179634262 199067903 /nfs/dbraw/zinc/06/79/03/199067903.db2.gz CZBATYYTHYXKQE-LBPRGKRZSA-N 2 2 323.393 1.996 20 5 DDBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([NH2+]CCO)CC1 ZINC000602021546 358780397 /nfs/dbraw/zinc/78/03/97/358780397.db2.gz PLGNXTIMZXSIKY-HYXAFXHYSA-N 2 2 305.378 1.654 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351479210 284332078 /nfs/dbraw/zinc/33/20/78/284332078.db2.gz QQARQOSUXSUHMY-AVGNSLFASA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351479210 284332080 /nfs/dbraw/zinc/33/20/80/284332080.db2.gz QQARQOSUXSUHMY-AVGNSLFASA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737536 407594587 /nfs/dbraw/zinc/59/45/87/407594587.db2.gz OWNJBAIEDSUWDC-BLLLJJGKSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261737536 407594592 /nfs/dbraw/zinc/59/45/92/407594592.db2.gz OWNJBAIEDSUWDC-BLLLJJGKSA-N 2 2 320.393 1.901 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000430919995 420205130 /nfs/dbraw/zinc/20/51/30/420205130.db2.gz SRWMEWTUQRQIRG-MFKMUULPSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000430919995 420205136 /nfs/dbraw/zinc/20/51/36/420205136.db2.gz SRWMEWTUQRQIRG-MFKMUULPSA-N 2 2 317.349 1.814 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430634414 420165418 /nfs/dbraw/zinc/16/54/18/420165418.db2.gz RSEQLXIUDJLFSP-UHFFFAOYSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430634414 420165421 /nfs/dbraw/zinc/16/54/21/420165421.db2.gz RSEQLXIUDJLFSP-UHFFFAOYSA-N 2 2 306.366 1.526 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000430955126 420221354 /nfs/dbraw/zinc/22/13/54/420221354.db2.gz HVVIAFHKKXGZBX-UHFFFAOYSA-N 2 2 322.365 1.227 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000430955126 420221357 /nfs/dbraw/zinc/22/13/57/420221357.db2.gz HVVIAFHKKXGZBX-UHFFFAOYSA-N 2 2 322.365 1.227 20 5 DDBDLP COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000422936393 533688365 /nfs/dbraw/zinc/68/83/65/533688365.db2.gz BNIXBNRPQNYNGA-HOTGVXAUSA-N 2 2 321.377 1.460 20 5 DDBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000424337921 307301444 /nfs/dbraw/zinc/30/14/44/307301444.db2.gz SUAIKENCVBEDHL-ZIAGYGMSSA-N 2 2 318.377 1.343 20 5 DDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168850 308264012 /nfs/dbraw/zinc/26/40/12/308264012.db2.gz KUTFCXRCVTYYPU-WFASDCNBSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168850 308264014 /nfs/dbraw/zinc/26/40/14/308264014.db2.gz KUTFCXRCVTYYPU-WFASDCNBSA-N 2 2 311.382 1.185 20 5 DDBDLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000903955164 711347327 /nfs/dbraw/zinc/34/73/27/711347327.db2.gz LUGWZZIQGKCJEO-LLVKDONJSA-N 2 2 315.320 1.938 20 5 DDBDLP COc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001156181856 761935582 /nfs/dbraw/zinc/93/55/82/761935582.db2.gz GRGABIOKVIQNNG-UHFFFAOYSA-N 2 2 323.397 1.436 20 5 DDBDLP Cn1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])n1 ZINC001331757301 865299523 /nfs/dbraw/zinc/29/95/23/865299523.db2.gz NCROMEIXUDEOBG-LBPRGKRZSA-N 2 2 318.381 1.517 20 5 DDBDLP Cn1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])n1 ZINC001331757301 865299532 /nfs/dbraw/zinc/29/95/32/865299532.db2.gz NCROMEIXUDEOBG-LBPRGKRZSA-N 2 2 318.381 1.517 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001336735305 869115389 /nfs/dbraw/zinc/11/53/89/869115389.db2.gz MTTIOLZKNYTMKE-JQWIXIFHSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001336735305 869115393 /nfs/dbraw/zinc/11/53/93/869115393.db2.gz MTTIOLZKNYTMKE-JQWIXIFHSA-N 2 2 309.366 1.881 20 5 DDBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997798 869250402 /nfs/dbraw/zinc/25/04/02/869250402.db2.gz MNKJEBAZDVZZEZ-LSDHHAIUSA-N 2 2 323.393 1.408 20 5 DDBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001336997798 869250417 /nfs/dbraw/zinc/25/04/17/869250417.db2.gz MNKJEBAZDVZZEZ-LSDHHAIUSA-N 2 2 323.393 1.408 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC001337823814 869645050 /nfs/dbraw/zinc/64/50/50/869645050.db2.gz FAXIKXRJJSBIHJ-HZPDHXFCSA-N 2 2 303.362 1.679 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC001337823814 869645054 /nfs/dbraw/zinc/64/50/54/869645054.db2.gz FAXIKXRJJSBIHJ-HZPDHXFCSA-N 2 2 303.362 1.679 20 5 DDBDLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218980181 877851156 /nfs/dbraw/zinc/85/11/56/877851156.db2.gz VQGCPAUGKASTMW-FZMZJTMJSA-N 2 2 307.357 1.411 20 5 DDBDLP C[NH+]1CC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254469414 896456808 /nfs/dbraw/zinc/45/68/08/896456808.db2.gz MZXFPPPDWWQPDT-UHFFFAOYSA-N 2 2 304.394 1.715 20 5 DDBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552016 185302639 /nfs/dbraw/zinc/30/26/39/185302639.db2.gz HNKXJZGFTYHNJB-KGLIPLIRSA-N 2 2 320.393 1.315 20 5 DDBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552016 185302640 /nfs/dbraw/zinc/30/26/40/185302640.db2.gz HNKXJZGFTYHNJB-KGLIPLIRSA-N 2 2 320.393 1.315 20 5 DDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552016 185302641 /nfs/dbraw/zinc/30/26/41/185302641.db2.gz HNKXJZGFTYHNJB-KGLIPLIRSA-N 2 2 320.393 1.315 20 5 DDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552016 185302642 /nfs/dbraw/zinc/30/26/42/185302642.db2.gz HNKXJZGFTYHNJB-KGLIPLIRSA-N 2 2 320.393 1.315 20 5 DDBDLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000601326081 358497904 /nfs/dbraw/zinc/49/79/04/358497904.db2.gz JGWXBDCVZXZSRA-JMSVASOKSA-N 2 2 318.377 1.227 20 5 DDBDLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000601326081 358497908 /nfs/dbraw/zinc/49/79/08/358497908.db2.gz JGWXBDCVZXZSRA-JMSVASOKSA-N 2 2 318.377 1.227 20 5 DDBDLP CCC1([NH+](C)C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000602966680 359330383 /nfs/dbraw/zinc/33/03/83/359330383.db2.gz NURDQZXZALEUAM-UHFFFAOYSA-N 2 2 322.409 1.563 20 5 DDBDLP CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472928 284329093 /nfs/dbraw/zinc/32/90/93/284329093.db2.gz BWUYMTUJTUHDIH-CQDKDKBSSA-N 2 2 318.377 1.227 20 5 DDBDLP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472928 284329094 /nfs/dbraw/zinc/32/90/94/284329094.db2.gz BWUYMTUJTUHDIH-CQDKDKBSSA-N 2 2 318.377 1.227 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351476170 284330612 /nfs/dbraw/zinc/33/06/12/284330612.db2.gz JTAHKEJNDTYVTP-IACUBPJLSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351476170 284330614 /nfs/dbraw/zinc/33/06/14/284330614.db2.gz JTAHKEJNDTYVTP-IACUBPJLSA-N 2 2 318.377 1.511 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351478008 284331662 /nfs/dbraw/zinc/33/16/62/284331662.db2.gz OIQCYLRTANVBEA-BVIHXZOGSA-N 2 2 318.377 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351478008 284331664 /nfs/dbraw/zinc/33/16/64/284331664.db2.gz OIQCYLRTANVBEA-BVIHXZOGSA-N 2 2 318.377 1.591 20 5 DDBDLP C[NH+](C)C[C@@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413193393 224151776 /nfs/dbraw/zinc/15/17/76/224151776.db2.gz ABYXQHXQIJWMQH-HNNXBMFYSA-N 2 2 304.350 1.868 20 5 DDBDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668333 409158308 /nfs/dbraw/zinc/15/83/08/409158308.db2.gz JPMLFWIXVHELFN-WCQYABFASA-N 2 2 307.398 1.073 20 5 DDBDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668333 409158310 /nfs/dbraw/zinc/15/83/10/409158310.db2.gz JPMLFWIXVHELFN-WCQYABFASA-N 2 2 307.398 1.073 20 5 DDBDLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000353361084 410941425 /nfs/dbraw/zinc/94/14/25/410941425.db2.gz PWIOGMYFFWAGER-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000353361084 410941430 /nfs/dbraw/zinc/94/14/30/410941430.db2.gz PWIOGMYFFWAGER-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP CC[C@H]([NH3+])CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423472875 420056943 /nfs/dbraw/zinc/05/69/43/420056943.db2.gz QKDLOWJIUPBNEN-JSGCOSHPSA-N 2 2 303.366 1.745 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420285648 420183287 /nfs/dbraw/zinc/18/32/87/420183287.db2.gz FHSBWZMYZUIKQQ-GFCCVEGCSA-N 2 2 306.366 1.607 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420285648 420183290 /nfs/dbraw/zinc/18/32/90/420183290.db2.gz FHSBWZMYZUIKQQ-GFCCVEGCSA-N 2 2 306.366 1.607 20 5 DDBDLP Cc1cc(N[C@@H](C)[C@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420273468 420178059 /nfs/dbraw/zinc/17/80/59/420178059.db2.gz XMXFSAUERMZGAD-QWRGUYRKSA-N 2 2 301.350 1.930 20 5 DDBDLP C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000430974493 420230293 /nfs/dbraw/zinc/23/02/93/420230293.db2.gz ZZMFHEMVIZZMKC-SMDDNHRTSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000430974493 420230296 /nfs/dbraw/zinc/23/02/96/420230296.db2.gz ZZMFHEMVIZZMKC-SMDDNHRTSA-N 2 2 318.377 1.153 20 5 DDBDLP C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448565720 420863503 /nfs/dbraw/zinc/86/35/03/420863503.db2.gz WTMKFSKLSQTWRT-UHFFFAOYSA-N 2 2 303.322 1.072 20 5 DDBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418849 421506086 /nfs/dbraw/zinc/50/60/86/421506086.db2.gz QINQVXDWMRYTBR-WFASDCNBSA-N 2 2 304.394 1.418 20 5 DDBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418849 421506089 /nfs/dbraw/zinc/50/60/89/421506089.db2.gz QINQVXDWMRYTBR-WFASDCNBSA-N 2 2 304.394 1.418 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000430552420 277285572 /nfs/dbraw/zinc/28/55/72/277285572.db2.gz BGSHHXKFCGVSSO-CQSZACIVSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000430552420 277285573 /nfs/dbraw/zinc/28/55/73/277285573.db2.gz BGSHHXKFCGVSSO-CQSZACIVSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930973 277286398 /nfs/dbraw/zinc/28/63/98/277286398.db2.gz BUMSEVCOLCYLGO-NWDGAFQWSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430930973 277286399 /nfs/dbraw/zinc/28/63/99/277286399.db2.gz BUMSEVCOLCYLGO-NWDGAFQWSA-N 2 2 306.366 1.463 20 5 DDBDLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397308876 302353489 /nfs/dbraw/zinc/35/34/89/302353489.db2.gz IBJROYVSOFDTPI-JHJVBQTASA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397308876 302353491 /nfs/dbraw/zinc/35/34/91/302353491.db2.gz IBJROYVSOFDTPI-JHJVBQTASA-N 2 2 320.393 1.839 20 5 DDBDLP C[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567691550 308090906 /nfs/dbraw/zinc/09/09/06/308090906.db2.gz ZHMJSIHLWCHWIS-LBPRGKRZSA-N 2 2 306.366 1.607 20 5 DDBDLP C[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567691550 308090907 /nfs/dbraw/zinc/09/09/07/308090907.db2.gz ZHMJSIHLWCHWIS-LBPRGKRZSA-N 2 2 306.366 1.607 20 5 DDBDLP Cc1nn(C)c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361680002 484522980 /nfs/dbraw/zinc/52/29/80/484522980.db2.gz ASONWBOSDWKQJU-LBPRGKRZSA-N 2 2 322.413 1.217 20 5 DDBDLP Cc1nn(C)c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000361680002 484522983 /nfs/dbraw/zinc/52/29/83/484522983.db2.gz ASONWBOSDWKQJU-LBPRGKRZSA-N 2 2 322.413 1.217 20 5 DDBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931435389 714096743 /nfs/dbraw/zinc/09/67/43/714096743.db2.gz ACICZPARHJHDPL-YPMHNXCESA-N 2 2 320.349 1.887 20 5 DDBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931435389 714096747 /nfs/dbraw/zinc/09/67/47/714096747.db2.gz ACICZPARHJHDPL-YPMHNXCESA-N 2 2 320.349 1.887 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931435389 714096749 /nfs/dbraw/zinc/09/67/49/714096749.db2.gz ACICZPARHJHDPL-YPMHNXCESA-N 2 2 320.349 1.887 20 5 DDBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931435389 714096750 /nfs/dbraw/zinc/09/67/50/714096750.db2.gz ACICZPARHJHDPL-YPMHNXCESA-N 2 2 320.349 1.887 20 5 DDBDLP CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000923288280 714298648 /nfs/dbraw/zinc/29/86/48/714298648.db2.gz ZMPDGZKYQPYBKU-ZIAGYGMSSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000923288280 714298651 /nfs/dbraw/zinc/29/86/51/714298651.db2.gz ZMPDGZKYQPYBKU-ZIAGYGMSSA-N 2 2 323.393 1.408 20 5 DDBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923382818 714336006 /nfs/dbraw/zinc/33/60/06/714336006.db2.gz WGRDBALBUZRKFL-CYBMUJFWSA-N 2 2 321.377 1.162 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)CC1 ZINC001168736296 748451156 /nfs/dbraw/zinc/45/11/56/748451156.db2.gz DUFGJGCTAIWCKB-UHFFFAOYSA-N 2 2 302.338 1.670 20 5 DDBDLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217794 777050091 /nfs/dbraw/zinc/05/00/91/777050091.db2.gz MGHXBVQNHIRTDF-SMDDNHRTSA-N 2 2 309.366 1.396 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001158209283 864492318 /nfs/dbraw/zinc/49/23/18/864492318.db2.gz OVSMFPYVKGHSRC-LLVKDONJSA-N 2 2 313.317 1.191 20 5 DDBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858394 191239911 /nfs/dbraw/zinc/23/99/11/191239911.db2.gz BTYNGUTYUDSHKK-GFCCVEGCSA-N 2 2 320.393 1.467 20 5 DDBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858394 191239915 /nfs/dbraw/zinc/23/99/15/191239915.db2.gz BTYNGUTYUDSHKK-GFCCVEGCSA-N 2 2 320.393 1.467 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858394 191239917 /nfs/dbraw/zinc/23/99/17/191239917.db2.gz BTYNGUTYUDSHKK-GFCCVEGCSA-N 2 2 320.393 1.467 20 5 DDBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858394 191239920 /nfs/dbraw/zinc/23/99/20/191239920.db2.gz BTYNGUTYUDSHKK-GFCCVEGCSA-N 2 2 320.393 1.467 20 5 DDBDLP O=C(CC[N@@H+]1CCn2c[nH+]cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000590599738 355125834 /nfs/dbraw/zinc/12/58/34/355125834.db2.gz MTKJJGPUVCAOQG-UHFFFAOYSA-N 2 2 315.333 1.636 20 5 DDBDLP O=C(CC[N@H+]1CCn2c[nH+]cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000590599738 355125837 /nfs/dbraw/zinc/12/58/37/355125837.db2.gz MTKJJGPUVCAOQG-UHFFFAOYSA-N 2 2 315.333 1.636 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597989885 357408379 /nfs/dbraw/zinc/40/83/79/357408379.db2.gz MDIBSAZHQGWHJV-UHFFFAOYSA-N 2 2 308.382 1.208 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597989885 357408384 /nfs/dbraw/zinc/40/83/84/357408384.db2.gz MDIBSAZHQGWHJV-UHFFFAOYSA-N 2 2 308.382 1.208 20 5 DDBDLP Cn1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430548 359634670 /nfs/dbraw/zinc/63/46/70/359634670.db2.gz SWPASAAOVXOVPO-UHFFFAOYSA-N 2 2 303.366 1.679 20 5 DDBDLP Cn1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603430548 359634673 /nfs/dbraw/zinc/63/46/73/359634673.db2.gz SWPASAAOVXOVPO-UHFFFAOYSA-N 2 2 303.366 1.679 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465043 422771766 /nfs/dbraw/zinc/77/17/66/422771766.db2.gz HMVJNDGIOJLSLW-ZIAGYGMSSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000579465043 422771771 /nfs/dbraw/zinc/77/17/71/422771771.db2.gz HMVJNDGIOJLSLW-ZIAGYGMSSA-N 2 2 309.366 1.018 20 5 DDBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820972 407646314 /nfs/dbraw/zinc/64/63/14/407646314.db2.gz ZDLAJTJCQAGOIE-SWLSCSKDSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000266820972 407646321 /nfs/dbraw/zinc/64/63/21/407646321.db2.gz ZDLAJTJCQAGOIE-SWLSCSKDSA-N 2 2 320.393 1.585 20 5 DDBDLP CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262443618 407836274 /nfs/dbraw/zinc/83/62/74/407836274.db2.gz IDDLGJZZMOSXTC-LLVKDONJSA-N 2 2 317.349 1.508 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423234573 419992506 /nfs/dbraw/zinc/99/25/06/419992506.db2.gz LZFSVUJJGNJKJC-HIFRSBDPSA-N 2 2 315.377 1.759 20 5 DDBDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517859 420068904 /nfs/dbraw/zinc/06/89/04/420068904.db2.gz OJFZKFMBVPZIDI-HOCLYGCPSA-N 2 2 304.394 1.465 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430566201 420140793 /nfs/dbraw/zinc/14/07/93/420140793.db2.gz BYERNOAKBZJZIY-LBPRGKRZSA-N 2 2 322.365 1.355 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000430566201 420140795 /nfs/dbraw/zinc/14/07/95/420140795.db2.gz BYERNOAKBZJZIY-LBPRGKRZSA-N 2 2 322.365 1.355 20 5 DDBDLP C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000430960908 420223828 /nfs/dbraw/zinc/22/38/28/420223828.db2.gz AMWQVFKBKOPXOY-GWCFXTLKSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000430960908 420223831 /nfs/dbraw/zinc/22/38/31/420223831.db2.gz AMWQVFKBKOPXOY-GWCFXTLKSA-N 2 2 317.349 1.814 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420388141 420254539 /nfs/dbraw/zinc/25/45/39/420254539.db2.gz WVDLBGYPTPKVRN-WCQYABFASA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420388141 420254542 /nfs/dbraw/zinc/25/45/42/420254542.db2.gz WVDLBGYPTPKVRN-WCQYABFASA-N 2 2 320.393 1.758 20 5 DDBDLP O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000573675780 308248315 /nfs/dbraw/zinc/24/83/15/308248315.db2.gz FZXGMESVBOXVQR-JKSUJKDBSA-N 2 2 321.377 1.330 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001254550840 896499542 /nfs/dbraw/zinc/49/95/42/896499542.db2.gz SBBFXIDDHOCIAD-CYBMUJFWSA-N 2 2 307.394 1.572 20 5 DDBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000593904553 356050691 /nfs/dbraw/zinc/05/06/91/356050691.db2.gz YXARCHGZGJUBAM-HNNXBMFYSA-N 2 2 322.409 1.313 20 5 DDBDLP Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593905955 356051627 /nfs/dbraw/zinc/05/16/27/356051627.db2.gz PWCRJGQUKXMULP-WCQYABFASA-N 2 2 308.382 1.359 20 5 DDBDLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1O ZINC000237212660 202191291 /nfs/dbraw/zinc/19/12/91/202191291.db2.gz STIKUUHCCRRFJR-LLVKDONJSA-N 2 2 320.349 1.931 20 5 DDBDLP Cc1[nH+]cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601148454 358422151 /nfs/dbraw/zinc/42/21/51/358422151.db2.gz BZNIFKOGDOYAJP-HNNXBMFYSA-N 2 2 304.350 1.634 20 5 DDBDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000261628675 407561740 /nfs/dbraw/zinc/56/17/40/407561740.db2.gz CSNOYWZVZCJDSV-HNNXBMFYSA-N 2 2 317.349 1.816 20 5 DDBDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000261628675 407561747 /nfs/dbraw/zinc/56/17/47/407561747.db2.gz CSNOYWZVZCJDSV-HNNXBMFYSA-N 2 2 317.349 1.816 20 5 DDBDLP C[C@H](CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000272497365 407951059 /nfs/dbraw/zinc/95/10/59/407951059.db2.gz GCIVIFJGOIUMCO-IUODEOHRSA-N 2 2 317.393 1.957 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078621 409849143 /nfs/dbraw/zinc/84/91/43/409849143.db2.gz RKDNZEIVKUJFOW-FRRDWIJNSA-N 2 2 318.377 1.463 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078621 409849149 /nfs/dbraw/zinc/84/91/49/409849149.db2.gz RKDNZEIVKUJFOW-FRRDWIJNSA-N 2 2 318.377 1.463 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423178632 227390873 /nfs/dbraw/zinc/39/08/73/227390873.db2.gz CGLWDTBKRYKZDT-ZFWWWQNUSA-N 2 2 315.377 1.759 20 5 DDBDLP C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1n1cc[nH+]c1 ZINC000371324963 418779910 /nfs/dbraw/zinc/77/99/10/418779910.db2.gz BLOWXHVWFZAVOA-VXGBXAGGSA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1n1cc[nH+]c1 ZINC000371324963 418779912 /nfs/dbraw/zinc/77/99/12/418779912.db2.gz BLOWXHVWFZAVOA-VXGBXAGGSA-N 2 2 304.354 1.608 20 5 DDBDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000424331861 228258954 /nfs/dbraw/zinc/25/89/54/228258954.db2.gz KBGPFEBIYCFEBS-ZLKJLUDKSA-N 2 2 306.366 1.781 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423233877 419993176 /nfs/dbraw/zinc/99/31/76/419993176.db2.gz KQIWGKWEBSIXPO-UKRRQHHQSA-N 2 2 315.377 1.759 20 5 DDBDLP CC(C)[C@H]([NH3+])CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423278875 420000971 /nfs/dbraw/zinc/00/09/71/420000971.db2.gz RGKNPHUZOHIROR-HUUCEWRRSA-N 2 2 317.393 1.991 20 5 DDBDLP CC[C@H]([NH3+])CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423467892 420057214 /nfs/dbraw/zinc/05/72/14/420057214.db2.gz OEIOEFPIGSIZQB-GXTWGEPZSA-N 2 2 303.366 1.745 20 5 DDBDLP COc1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430564648 420138443 /nfs/dbraw/zinc/13/84/43/420138443.db2.gz BWXFZQNGUWJGFZ-HNNXBMFYSA-N 2 2 322.365 1.259 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369062 420241205 /nfs/dbraw/zinc/24/12/05/420241205.db2.gz BJCKKAYQLJGNOG-AGIUHOORSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420369062 420241210 /nfs/dbraw/zinc/24/12/10/420241210.db2.gz BJCKKAYQLJGNOG-AGIUHOORSA-N 2 2 320.393 1.839 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784641 420716057 /nfs/dbraw/zinc/71/60/57/420716057.db2.gz SFDVHKHNJODMRN-MNOVXSKESA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000442784641 420716062 /nfs/dbraw/zinc/71/60/62/420716062.db2.gz SFDVHKHNJODMRN-MNOVXSKESA-N 2 2 317.349 1.814 20 5 DDBDLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1O ZINC000494413620 533899005 /nfs/dbraw/zinc/89/90/05/533899005.db2.gz NKQJGFWZCAICSE-LLVKDONJSA-N 2 2 318.333 1.610 20 5 DDBDLP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000903076271 711025431 /nfs/dbraw/zinc/02/54/31/711025431.db2.gz MJOGSNOXBMWZDP-DOMZBBRYSA-N 2 2 323.393 1.711 20 5 DDBDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443216 868301961 /nfs/dbraw/zinc/30/19/61/868301961.db2.gz DQZUHENHIFOPGC-KGLIPLIRSA-N 2 2 323.393 1.266 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001335443216 868301975 /nfs/dbraw/zinc/30/19/75/868301975.db2.gz DQZUHENHIFOPGC-KGLIPLIRSA-N 2 2 323.393 1.266 20 5 DDBDLP Cc1[nH+]c2c(n1-c1ncnc3cc([N+](=O)[O-])ccc31)CC[NH2+]CC2 ZINC001165352543 869539411 /nfs/dbraw/zinc/53/94/11/869539411.db2.gz BMWNPNVXZNORGC-UHFFFAOYSA-N 2 2 324.344 1.720 20 5 DDBDLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246402435 892605078 /nfs/dbraw/zinc/60/50/78/892605078.db2.gz WFTADSCETGPCEY-YPMHNXCESA-N 2 2 309.366 1.396 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[NH2+]C1CC1 ZINC000591577223 355329835 /nfs/dbraw/zinc/32/98/35/355329835.db2.gz CPJSDIDIILUTIN-NSHDSACASA-N 2 2 306.366 1.654 20 5 DDBDLP C[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC[NH2+]C1 ZINC000591278289 355276923 /nfs/dbraw/zinc/27/69/23/355276923.db2.gz DXEKPJQLHNELDK-MRXNPFEDSA-N 2 2 321.377 1.845 20 5 DDBDLP C[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000261755301 203109835 /nfs/dbraw/zinc/10/98/35/203109835.db2.gz NVODKNCJZAWFDW-JTQLQIEISA-N 2 2 303.322 1.118 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422718202 533221917 /nfs/dbraw/zinc/22/19/17/533221917.db2.gz PIEMKJNPXZSSRX-HZPDHXFCSA-N 2 2 321.377 1.460 20 5 DDBDLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078771 408975517 /nfs/dbraw/zinc/97/55/17/408975517.db2.gz FLJCKMZLTQYALI-HOTGVXAUSA-N 2 2 305.378 1.656 20 5 DDBDLP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078771 408975520 /nfs/dbraw/zinc/97/55/20/408975520.db2.gz FLJCKMZLTQYALI-HOTGVXAUSA-N 2 2 305.378 1.656 20 5 DDBDLP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078771 408975525 /nfs/dbraw/zinc/97/55/25/408975525.db2.gz FLJCKMZLTQYALI-HOTGVXAUSA-N 2 2 305.378 1.656 20 5 DDBDLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078771 408975527 /nfs/dbraw/zinc/97/55/27/408975527.db2.gz FLJCKMZLTQYALI-HOTGVXAUSA-N 2 2 305.378 1.656 20 5 DDBDLP C[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000346264638 409891376 /nfs/dbraw/zinc/89/13/76/409891376.db2.gz OBCFQJBAFFXZFY-LLVKDONJSA-N 2 2 317.349 1.460 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430565166 420140496 /nfs/dbraw/zinc/14/04/96/420140496.db2.gz OMNPPKAIXPRBSU-QWHCGFSZSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430565166 420140500 /nfs/dbraw/zinc/14/05/00/420140500.db2.gz OMNPPKAIXPRBSU-QWHCGFSZSA-N 2 2 320.393 1.901 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423520762 420071442 /nfs/dbraw/zinc/07/14/42/420071442.db2.gz QFVXIMRHQWMMAU-TZMCWYRMSA-N 2 2 322.409 1.548 20 5 DDBDLP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420290195 420185096 /nfs/dbraw/zinc/18/50/96/420185096.db2.gz LMSPBEDFMLCXRQ-SWLSCSKDSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420290195 420185098 /nfs/dbraw/zinc/18/50/98/420185098.db2.gz LMSPBEDFMLCXRQ-SWLSCSKDSA-N 2 2 320.393 1.983 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346543 420225305 /nfs/dbraw/zinc/22/53/05/420225305.db2.gz YQIIHBWWFRZLOF-DOMZBBRYSA-N 2 2 318.377 1.526 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420346543 420225308 /nfs/dbraw/zinc/22/53/08/420225308.db2.gz YQIIHBWWFRZLOF-DOMZBBRYSA-N 2 2 318.377 1.526 20 5 DDBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000344432193 272024850 /nfs/dbraw/zinc/02/48/50/272024850.db2.gz GLDGYSCOEFGBMC-UHFFFAOYSA-N 2 2 319.409 1.960 20 5 DDBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000362699972 300117890 /nfs/dbraw/zinc/11/78/90/300117890.db2.gz XFEUHDOGPQCDLV-LBPRGKRZSA-N 2 2 324.406 1.053 20 5 DDBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000362699972 300117892 /nfs/dbraw/zinc/11/78/92/300117892.db2.gz XFEUHDOGPQCDLV-LBPRGKRZSA-N 2 2 324.406 1.053 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534129950 303326731 /nfs/dbraw/zinc/32/67/31/303326731.db2.gz ZXIASBIRAGVDOL-UHFFFAOYSA-N 2 2 316.365 1.763 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000761520543 700862397 /nfs/dbraw/zinc/86/23/97/700862397.db2.gz BDIYGFQIPFLFDO-LBPRGKRZSA-N 2 2 313.785 1.795 20 5 DDBDLP C[C@@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]C1 ZINC000843059197 702809794 /nfs/dbraw/zinc/80/97/94/702809794.db2.gz FUHVQWCSUCUDGH-MRXNPFEDSA-N 2 2 304.394 1.716 20 5 DDBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCC[NH3+] ZINC000843350962 702864408 /nfs/dbraw/zinc/86/44/08/702864408.db2.gz CDJQKCNAESHERN-SECBINFHSA-N 2 2 314.773 1.856 20 5 DDBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCC[NH3+] ZINC000843350962 702864410 /nfs/dbraw/zinc/86/44/10/702864410.db2.gz CDJQKCNAESHERN-SECBINFHSA-N 2 2 314.773 1.856 20 5 DDBDLP CC1([NH+]2CCC2)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000880475608 706985592 /nfs/dbraw/zinc/98/55/92/706985592.db2.gz ZLSPYSCTLBCCGC-UHFFFAOYSA-N 2 2 320.393 1.317 20 5 DDBDLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001169204090 762278569 /nfs/dbraw/zinc/27/85/69/762278569.db2.gz HJMBISVHRHWDLV-UHFFFAOYSA-N 2 2 323.378 1.218 20 5 DDBDLP COc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155054221 861683116 /nfs/dbraw/zinc/68/31/16/861683116.db2.gz VLOSYTXBICIZOB-UHFFFAOYSA-N 2 2 303.322 1.651 20 5 DDBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC001158259284 864520379 /nfs/dbraw/zinc/52/03/79/864520379.db2.gz PPAUNEGQTALYNC-NSHDSACASA-N 2 2 309.345 1.131 20 5 DDBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC001158259284 864520391 /nfs/dbraw/zinc/52/03/91/864520391.db2.gz PPAUNEGQTALYNC-NSHDSACASA-N 2 2 309.345 1.131 20 5 DDBDLP CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001357260703 879883294 /nfs/dbraw/zinc/88/32/94/879883294.db2.gz SBCMRXTYFHOJDL-AWEZNQCLSA-N 2 2 304.350 1.850 20 5 DDBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC([NH+]3CCCCC3)CC2)n1 ZINC000358265203 299111338 /nfs/dbraw/zinc/11/13/38/299111338.db2.gz MTZZQIAGZOFQED-UHFFFAOYSA-N 2 2 307.398 1.742 20 5 DDBDLP C[NH+]1CCC([NH+]2CCC(Nc3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000050954334 352574286 /nfs/dbraw/zinc/57/42/86/352574286.db2.gz LOLQGPXCUGPDLP-UHFFFAOYSA-N 2 2 319.409 1.960 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000592473923 355593517 /nfs/dbraw/zinc/59/35/17/355593517.db2.gz VJYOMGHNPMPSQJ-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000592473923 355593520 /nfs/dbraw/zinc/59/35/20/355593520.db2.gz VJYOMGHNPMPSQJ-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP Cc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000597255551 357111494 /nfs/dbraw/zinc/11/14/94/357111494.db2.gz OQINIUIRFZGUEN-UHFFFAOYSA-N 2 2 315.377 1.959 20 5 DDBDLP CC(C)[N@H+](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527263 359027371 /nfs/dbraw/zinc/02/73/71/359027371.db2.gz NPZYQDUBPGUTSL-UHFFFAOYSA-N 2 2 321.425 1.888 20 5 DDBDLP CC(C)[N@@H+](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602527263 359027374 /nfs/dbraw/zinc/02/73/74/359027374.db2.gz NPZYQDUBPGUTSL-UHFFFAOYSA-N 2 2 321.425 1.888 20 5 DDBDLP Cn1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])n1 ZINC000602795683 359197640 /nfs/dbraw/zinc/19/76/40/359197640.db2.gz BQRKZFHQLFAQBH-UHFFFAOYSA-N 2 2 316.365 1.800 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000602891393 359274696 /nfs/dbraw/zinc/27/46/96/359274696.db2.gz MEPMOSWEAHYRRL-MRXNPFEDSA-N 2 2 323.393 1.362 20 5 DDBDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000602891393 359274698 /nfs/dbraw/zinc/27/46/98/359274698.db2.gz MEPMOSWEAHYRRL-MRXNPFEDSA-N 2 2 323.393 1.362 20 5 DDBDLP Cn1cc[nH+]c1[C@@H](NCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272479925 407940227 /nfs/dbraw/zinc/94/02/27/407940227.db2.gz BYOPEGOBYXEFSE-HNNXBMFYSA-N 2 2 317.393 1.959 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423355972 420024953 /nfs/dbraw/zinc/02/49/53/420024953.db2.gz GCHPJJCJACRMQK-YWPYICTPSA-N 2 2 320.393 1.900 20 5 DDBDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420324817 420209519 /nfs/dbraw/zinc/20/95/19/420209519.db2.gz BCNVERRSGCYPSH-DOMZBBRYSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000420324817 420209522 /nfs/dbraw/zinc/20/95/22/420209522.db2.gz BCNVERRSGCYPSH-DOMZBBRYSA-N 2 2 320.393 1.983 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430591416 420149389 /nfs/dbraw/zinc/14/93/89/420149389.db2.gz FKEOXJHXWDRJBT-OAHLLOKOSA-N 2 2 308.382 1.805 20 5 DDBDLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000420346887 420225490 /nfs/dbraw/zinc/22/54/90/420225490.db2.gz ZINCENSVUKJJEB-SWLSCSKDSA-N 2 2 318.377 1.607 20 5 DDBDLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000420346887 420225492 /nfs/dbraw/zinc/22/54/92/420225492.db2.gz ZINCENSVUKJJEB-SWLSCSKDSA-N 2 2 318.377 1.607 20 5 DDBDLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420393213 420260025 /nfs/dbraw/zinc/26/00/25/420260025.db2.gz WXPOWAYNMFZROH-GFCCVEGCSA-N 2 2 308.382 1.772 20 5 DDBDLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420393213 420260028 /nfs/dbraw/zinc/26/00/28/420260028.db2.gz WXPOWAYNMFZROH-GFCCVEGCSA-N 2 2 308.382 1.772 20 5 DDBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000562629625 421388721 /nfs/dbraw/zinc/38/87/21/421388721.db2.gz DHDTXBBLBVWCSQ-UHFFFAOYSA-N 2 2 301.350 1.683 20 5 DDBDLP COCC[NH2+]C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000583446144 422167845 /nfs/dbraw/zinc/16/78/45/422167845.db2.gz QKGQBOSJYYZGMJ-UHFFFAOYSA-N 2 2 323.393 1.674 20 5 DDBDLP C[C@@]1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000415093076 289165009 /nfs/dbraw/zinc/16/50/09/289165009.db2.gz BPETYZLUTZLCAI-OAHLLOKOSA-N 2 2 305.382 1.111 20 5 DDBDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000565299743 308027551 /nfs/dbraw/zinc/02/75/51/308027551.db2.gz LGJFEVQOWUHJGV-DVOMOZLQSA-N 2 2 323.393 1.155 20 5 DDBDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000565299743 308027552 /nfs/dbraw/zinc/02/75/52/308027552.db2.gz LGJFEVQOWUHJGV-DVOMOZLQSA-N 2 2 323.393 1.155 20 5 DDBDLP Cc1nn(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000779865410 698476568 /nfs/dbraw/zinc/47/65/68/698476568.db2.gz NETHWNGBTAODDC-UHFFFAOYSA-N 2 2 311.386 1.100 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000841101306 702347277 /nfs/dbraw/zinc/34/72/77/702347277.db2.gz RXLALHYMNBWMHK-MRXNPFEDSA-N 2 2 320.393 1.142 20 5 DDBDLP CCO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926964185 712923362 /nfs/dbraw/zinc/92/33/62/712923362.db2.gz WKIYALGJDGAGJN-DGCLKSJQSA-N 2 2 310.398 1.794 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902445875 710756650 /nfs/dbraw/zinc/75/66/50/710756650.db2.gz NCPKVORKZZBPKK-BXUZGUMPSA-N 2 2 320.393 1.900 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001336735303 869115137 /nfs/dbraw/zinc/11/51/37/869115137.db2.gz MTTIOLZKNYTMKE-CMPLNLGQSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001336735303 869115141 /nfs/dbraw/zinc/11/51/41/869115141.db2.gz MTTIOLZKNYTMKE-CMPLNLGQSA-N 2 2 309.366 1.881 20 5 DDBDLP O=C(CC[NH2+]CC[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC001262558996 900244078 /nfs/dbraw/zinc/24/40/78/900244078.db2.gz WBUAAORUVVNKRY-UHFFFAOYSA-N 2 2 306.366 1.609 20 5 DDBDLP COc1ccc(OCC[NH+]2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000592484997 355595949 /nfs/dbraw/zinc/59/59/49/355595949.db2.gz MMZWBGYTUDOXDC-UHFFFAOYSA-N 2 2 309.366 1.795 20 5 DDBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328238 358499580 /nfs/dbraw/zinc/49/95/80/358499580.db2.gz ISJALDPADIANIH-UHFFFAOYSA-N 2 2 309.366 1.020 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594501973 356238771 /nfs/dbraw/zinc/23/87/71/356238771.db2.gz GNAVEBJPJOMEAZ-HNNXBMFYSA-N 2 2 305.378 1.938 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000595032291 356374592 /nfs/dbraw/zinc/37/45/92/356374592.db2.gz MCVGCLPUDOIYEC-ABAIWWIYSA-N 2 2 309.366 1.321 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000595032291 356374595 /nfs/dbraw/zinc/37/45/95/356374595.db2.gz MCVGCLPUDOIYEC-ABAIWWIYSA-N 2 2 309.366 1.321 20 5 DDBDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475373 356508823 /nfs/dbraw/zinc/50/88/23/356508823.db2.gz JFIRGSNUORJFAK-MRXNPFEDSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475373 356508826 /nfs/dbraw/zinc/50/88/26/356508826.db2.gz JFIRGSNUORJFAK-MRXNPFEDSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475373 356508831 /nfs/dbraw/zinc/50/88/31/356508831.db2.gz JFIRGSNUORJFAK-MRXNPFEDSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475373 356508836 /nfs/dbraw/zinc/50/88/36/356508836.db2.gz JFIRGSNUORJFAK-MRXNPFEDSA-N 2 2 309.410 1.770 20 5 DDBDLP C[C@H]1C[N@H+](CCO)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601172729 358432455 /nfs/dbraw/zinc/43/24/55/358432455.db2.gz HOACFGCBXCGJGP-LBPRGKRZSA-N 2 2 316.361 1.646 20 5 DDBDLP C[C@H]1C[N@@H+](CCO)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601172729 358432460 /nfs/dbraw/zinc/43/24/60/358432460.db2.gz HOACFGCBXCGJGP-LBPRGKRZSA-N 2 2 316.361 1.646 20 5 DDBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261953090 296514925 /nfs/dbraw/zinc/51/49/25/296514925.db2.gz OHSUIGBCKLMTMA-AWEZNQCLSA-N 2 2 304.394 1.716 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000261744518 407599017 /nfs/dbraw/zinc/59/90/17/407599017.db2.gz LBOCLZHNKUUVLB-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000261744518 407599021 /nfs/dbraw/zinc/59/90/21/407599021.db2.gz LBOCLZHNKUUVLB-CYBMUJFWSA-N 2 2 320.393 1.916 20 5 DDBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)o2)c1 ZINC000415095710 419941644 /nfs/dbraw/zinc/94/16/44/419941644.db2.gz NTDHKMWCJDVLEJ-HNNXBMFYSA-N 2 2 317.345 1.933 20 5 DDBDLP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422786650 419968234 /nfs/dbraw/zinc/96/82/34/419968234.db2.gz LBZGHCQZSDQBGL-HOTGVXAUSA-N 2 2 305.378 1.494 20 5 DDBDLP C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000430919996 420204353 /nfs/dbraw/zinc/20/43/53/420204353.db2.gz SRWMEWTUQRQIRG-ZWNOBZJWSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000430919996 420204357 /nfs/dbraw/zinc/20/43/57/420204357.db2.gz SRWMEWTUQRQIRG-ZWNOBZJWSA-N 2 2 317.349 1.814 20 5 DDBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430940013 420215979 /nfs/dbraw/zinc/21/59/79/420215979.db2.gz IKCJTUHZXJLYEO-JTQLQIEISA-N 2 2 303.322 1.425 20 5 DDBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430940013 420215980 /nfs/dbraw/zinc/21/59/80/420215980.db2.gz IKCJTUHZXJLYEO-JTQLQIEISA-N 2 2 303.322 1.425 20 5 DDBDLP CN(C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000420372556 420243324 /nfs/dbraw/zinc/24/33/24/420243324.db2.gz YFQXVRBYPUIINK-CQSZACIVSA-N 2 2 320.393 1.535 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767207 420711063 /nfs/dbraw/zinc/71/10/63/420711063.db2.gz QFOQTKFETMIELU-RYUDHWBXSA-N 2 2 318.377 1.153 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000442767207 420711067 /nfs/dbraw/zinc/71/10/67/420711067.db2.gz QFOQTKFETMIELU-RYUDHWBXSA-N 2 2 318.377 1.153 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000520231141 421742195 /nfs/dbraw/zinc/74/21/95/421742195.db2.gz FVWLRYJDUMFZTQ-CYBMUJFWSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000520231141 421742197 /nfs/dbraw/zinc/74/21/97/421742197.db2.gz FVWLRYJDUMFZTQ-CYBMUJFWSA-N 2 2 306.366 1.526 20 5 DDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903696 422673700 /nfs/dbraw/zinc/67/37/00/422673700.db2.gz SRWYXPNYDZOJJZ-AAEUAGOBSA-N 2 2 318.377 1.296 20 5 DDBDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903696 422673704 /nfs/dbraw/zinc/67/37/04/422673704.db2.gz SRWYXPNYDZOJJZ-AAEUAGOBSA-N 2 2 318.377 1.296 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000576280425 308303031 /nfs/dbraw/zinc/30/30/31/308303031.db2.gz VXYWDBMUKJTTOB-ZDUSSCGKSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000576280425 308303033 /nfs/dbraw/zinc/30/30/33/308303033.db2.gz VXYWDBMUKJTTOB-ZDUSSCGKSA-N 2 2 306.366 1.526 20 5 DDBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420356843 490244259 /nfs/dbraw/zinc/24/42/59/490244259.db2.gz GUEBOKYFBGPJAE-ZDUSSCGKSA-N 2 2 306.366 1.171 20 5 DDBDLP O=C(NCC[NH2+]C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000238109630 490703274 /nfs/dbraw/zinc/70/32/74/490703274.db2.gz OIPYNBIMYQMBGK-UHFFFAOYSA-N 2 2 315.333 1.262 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000819244908 704094133 /nfs/dbraw/zinc/09/41/33/704094133.db2.gz PNMPPRZEINLNDW-TZMCWYRMSA-N 2 2 302.334 1.429 20 5 DDBDLP Cc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001156188215 862793276 /nfs/dbraw/zinc/79/32/76/862793276.db2.gz QLUZVFKMHOETBF-UHFFFAOYSA-N 2 2 308.386 1.131 20 5 DDBDLP Nc1ccc2n(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)c3ccccc3cc-2c1=O ZINC001219255824 878061241 /nfs/dbraw/zinc/06/12/41/878061241.db2.gz LXNWDLSRBIMRFY-FZMZJTMJSA-N 2 2 322.368 1.018 20 5 DDBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCC[NH3+])CC1 ZINC001254539155 896494222 /nfs/dbraw/zinc/49/42/22/896494222.db2.gz GHWHUODXPREBRZ-CQSZACIVSA-N 2 2 306.410 1.492 20 5 DDBDLP COc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256085658 897277965 /nfs/dbraw/zinc/27/79/65/897277965.db2.gz RHXHWJIARJJADB-GFCCVEGCSA-N 2 2 320.393 1.605 20 5 DDBDLP COc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256085658 897277983 /nfs/dbraw/zinc/27/79/83/897277983.db2.gz RHXHWJIARJJADB-GFCCVEGCSA-N 2 2 320.393 1.605 20 5 DDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000589504373 354997598 /nfs/dbraw/zinc/99/75/98/354997598.db2.gz SDQKWBGNRMVKAF-BETUJISGSA-N 2 2 305.334 1.033 20 5 DDBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000589504373 354997600 /nfs/dbraw/zinc/99/76/00/354997600.db2.gz SDQKWBGNRMVKAF-BETUJISGSA-N 2 2 305.334 1.033 20 5 DDBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC[NH2+]C1CC1)OCCO2 ZINC000591283021 355278076 /nfs/dbraw/zinc/27/80/76/355278076.db2.gz PEFVGSWIPNKVJH-UHFFFAOYSA-N 2 2 307.350 1.598 20 5 DDBDLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000591284733 355278374 /nfs/dbraw/zinc/27/83/74/355278374.db2.gz CMEHVFOSQNUROC-YPMHNXCESA-N 2 2 321.377 1.783 20 5 DDBDLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C[NH3+] ZINC000591284733 355278378 /nfs/dbraw/zinc/27/83/78/355278378.db2.gz CMEHVFOSQNUROC-YPMHNXCESA-N 2 2 321.377 1.783 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592488716 355596935 /nfs/dbraw/zinc/59/69/35/355596935.db2.gz MIUAYSLRHHNYAV-LALPHHSUSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592488716 355596937 /nfs/dbraw/zinc/59/69/37/355596937.db2.gz MIUAYSLRHHNYAV-LALPHHSUSA-N 2 2 320.393 1.981 20 5 DDBDLP CN1CC[N@H+](C)C[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601116404 358409381 /nfs/dbraw/zinc/40/93/81/358409381.db2.gz SXOJPSDBCXLYHD-ZDUSSCGKSA-N 2 2 315.377 1.223 20 5 DDBDLP CN1CC[N@@H+](C)C[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601116404 358409383 /nfs/dbraw/zinc/40/93/83/358409383.db2.gz SXOJPSDBCXLYHD-ZDUSSCGKSA-N 2 2 315.377 1.223 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602771581 359179637 /nfs/dbraw/zinc/17/96/37/359179637.db2.gz FLFZTIUSGSAYHZ-ZDUSSCGKSA-N 2 2 304.354 1.633 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602771581 359179641 /nfs/dbraw/zinc/17/96/41/359179641.db2.gz FLFZTIUSGSAYHZ-ZDUSSCGKSA-N 2 2 304.354 1.633 20 5 DDBDLP CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609802290 360352557 /nfs/dbraw/zinc/35/25/57/360352557.db2.gz OOVLWEGXVVHWIF-HNNXBMFYSA-N 2 2 319.409 1.595 20 5 DDBDLP CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609802290 360352559 /nfs/dbraw/zinc/35/25/59/360352559.db2.gz OOVLWEGXVVHWIF-HNNXBMFYSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000579488831 422779522 /nfs/dbraw/zinc/77/95/22/422779522.db2.gz PZZRPGSSMCDUCP-CMPLNLGQSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000579488831 422779524 /nfs/dbraw/zinc/77/95/24/422779524.db2.gz PZZRPGSSMCDUCP-CMPLNLGQSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423193934 533446358 /nfs/dbraw/zinc/44/63/58/533446358.db2.gz RCQRFWBUISWOOY-AAEUAGOBSA-N 2 2 306.366 1.654 20 5 DDBDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262449761 407837695 /nfs/dbraw/zinc/83/76/95/407837695.db2.gz HPKBLULUTHLCCV-VXGBXAGGSA-N 2 2 306.366 1.450 20 5 DDBDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262449761 407837698 /nfs/dbraw/zinc/83/76/98/407837698.db2.gz HPKBLULUTHLCCV-VXGBXAGGSA-N 2 2 306.366 1.450 20 5 DDBDLP C[NH+](CCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)Cc1ccco1 ZINC000285811579 408868546 /nfs/dbraw/zinc/86/85/46/408868546.db2.gz VVRYRKWBKLRLCP-UHFFFAOYSA-N 2 2 321.381 1.838 20 5 DDBDLP C[NH+](CCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1)Cc1ccco1 ZINC000285811579 408868548 /nfs/dbraw/zinc/86/85/48/408868548.db2.gz VVRYRKWBKLRLCP-UHFFFAOYSA-N 2 2 321.381 1.838 20 5 DDBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCn1ccc([N+](=O)[O-])n1 ZINC000285811579 408868550 /nfs/dbraw/zinc/86/85/50/408868550.db2.gz VVRYRKWBKLRLCP-UHFFFAOYSA-N 2 2 321.381 1.838 20 5 DDBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCn1ccc([N+](=O)[O-])n1 ZINC000285811579 408868553 /nfs/dbraw/zinc/86/85/53/408868553.db2.gz VVRYRKWBKLRLCP-UHFFFAOYSA-N 2 2 321.381 1.838 20 5 DDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262458935 287152609 /nfs/dbraw/zinc/15/26/09/287152609.db2.gz IKGBQLZRIXXTPR-UONOGXRCSA-N 2 2 304.394 1.635 20 5 DDBDLP C[C@H](CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353511966 411040054 /nfs/dbraw/zinc/04/00/54/411040054.db2.gz BXQMNSFPYRNQRZ-DOMZBBRYSA-N 2 2 317.393 1.957 20 5 DDBDLP Cc1c(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000423071728 227337538 /nfs/dbraw/zinc/33/75/38/227337538.db2.gz ICDMGJUOXPJSFQ-JKSUJKDBSA-N 2 2 305.378 1.760 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000414962920 419897158 /nfs/dbraw/zinc/89/71/58/419897158.db2.gz SYSCDVJLGFCTJI-PWSUYJOCSA-N 2 2 309.366 1.700 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968239 420229213 /nfs/dbraw/zinc/22/92/13/420229213.db2.gz WGKHPBMPFYKHBO-JTNHKYCSSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968239 420229218 /nfs/dbraw/zinc/22/92/18/420229218.db2.gz WGKHPBMPFYKHBO-JTNHKYCSSA-N 2 2 306.366 1.591 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442791001 420714458 /nfs/dbraw/zinc/71/44/58/420714458.db2.gz MYKHBLNOFQWVGK-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442791001 420714460 /nfs/dbraw/zinc/71/44/60/420714460.db2.gz MYKHBLNOFQWVGK-NEPJUHHUSA-N 2 2 306.366 1.511 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562776 420782412 /nfs/dbraw/zinc/78/24/12/420782412.db2.gz NBKUJHWAJQTXOG-MGPQQGTHSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562776 420782415 /nfs/dbraw/zinc/78/24/15/420782415.db2.gz NBKUJHWAJQTXOG-MGPQQGTHSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562774 420783128 /nfs/dbraw/zinc/78/31/28/420783128.db2.gz NBKUJHWAJQTXOG-HZSPNIEDSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562774 420783131 /nfs/dbraw/zinc/78/31/31/420783131.db2.gz NBKUJHWAJQTXOG-HZSPNIEDSA-N 2 2 307.398 1.959 20 5 DDBDLP O=C(CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420405672 699139395 /nfs/dbraw/zinc/13/93/95/699139395.db2.gz PRXIVPFBPQUYRB-INIZCTEOSA-N 2 2 318.377 1.751 20 5 DDBDLP O=C(CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420405672 699139396 /nfs/dbraw/zinc/13/93/96/699139396.db2.gz PRXIVPFBPQUYRB-INIZCTEOSA-N 2 2 318.377 1.751 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902445876 710756747 /nfs/dbraw/zinc/75/67/47/710756747.db2.gz NCPKVORKZZBPKK-FZMZJTMJSA-N 2 2 320.393 1.900 20 5 DDBDLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553535 870043371 /nfs/dbraw/zinc/04/33/71/870043371.db2.gz XUEVENUQZRSYCN-QLFBSQMISA-N 2 2 307.394 1.947 20 5 DDBDLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379237 233145252 /nfs/dbraw/zinc/14/52/52/233145252.db2.gz PDLGEGNAELSWTK-LBPRGKRZSA-N 2 2 316.365 1.452 20 5 DDBDLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379237 233145254 /nfs/dbraw/zinc/14/52/54/233145254.db2.gz PDLGEGNAELSWTK-LBPRGKRZSA-N 2 2 316.365 1.452 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428715 355580093 /nfs/dbraw/zinc/58/00/93/355580093.db2.gz PVQMLCOXXJCMIP-QWRGUYRKSA-N 2 2 307.350 1.535 20 5 DDBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592428715 355580094 /nfs/dbraw/zinc/58/00/94/355580094.db2.gz PVQMLCOXXJCMIP-QWRGUYRKSA-N 2 2 307.350 1.535 20 5 DDBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595484440 356512817 /nfs/dbraw/zinc/51/28/17/356512817.db2.gz LCKAYEZTTVMDEM-HNNXBMFYSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595484440 356512818 /nfs/dbraw/zinc/51/28/18/356512818.db2.gz LCKAYEZTTVMDEM-HNNXBMFYSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595484440 356512821 /nfs/dbraw/zinc/51/28/21/356512821.db2.gz LCKAYEZTTVMDEM-HNNXBMFYSA-N 2 2 309.410 1.770 20 5 DDBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595484440 356512824 /nfs/dbraw/zinc/51/28/24/356512824.db2.gz LCKAYEZTTVMDEM-HNNXBMFYSA-N 2 2 309.410 1.770 20 5 DDBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000597990366 357408730 /nfs/dbraw/zinc/40/87/30/357408730.db2.gz UEFKPAWTXMOZHR-UHFFFAOYSA-N 2 2 308.382 1.208 20 5 DDBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000597990366 357408733 /nfs/dbraw/zinc/40/87/33/357408733.db2.gz UEFKPAWTXMOZHR-UHFFFAOYSA-N 2 2 308.382 1.208 20 5 DDBDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602478555 359005160 /nfs/dbraw/zinc/00/51/60/359005160.db2.gz ZIZILQLSPAVTEY-CYBMUJFWSA-N 2 2 307.398 1.636 20 5 DDBDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602478555 359005163 /nfs/dbraw/zinc/00/51/63/359005163.db2.gz ZIZILQLSPAVTEY-CYBMUJFWSA-N 2 2 307.398 1.636 20 5 DDBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567890084 304252611 /nfs/dbraw/zinc/25/26/11/304252611.db2.gz IMZWVCQPJJMYPT-MRXNPFEDSA-N 2 2 318.377 1.269 20 5 DDBDLP NC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000567890084 304252614 /nfs/dbraw/zinc/25/26/14/304252614.db2.gz IMZWVCQPJJMYPT-MRXNPFEDSA-N 2 2 318.377 1.269 20 5 DDBDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299036755 410492980 /nfs/dbraw/zinc/49/29/80/410492980.db2.gz MEHFCJPJRONULQ-UHFFFAOYSA-N 2 2 315.377 1.922 20 5 DDBDLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000417352074 225305179 /nfs/dbraw/zinc/30/51/79/225305179.db2.gz FFSXMLFJQMBOJF-QWHCGFSZSA-N 2 2 307.398 1.959 20 5 DDBDLP COc1ccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000422632342 227081076 /nfs/dbraw/zinc/08/10/76/227081076.db2.gz GVWGPIWANSJFCI-UHFFFAOYSA-N 2 2 321.377 1.810 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424329933 228258756 /nfs/dbraw/zinc/25/87/56/228258756.db2.gz HKAZUMPJXHTRLE-TZMCWYRMSA-N 2 2 306.366 1.701 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428033815 419791904 /nfs/dbraw/zinc/79/19/04/419791904.db2.gz NCQGAEVNFKAWSI-JSGCOSHPSA-N 2 2 321.377 1.666 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000428033815 419791910 /nfs/dbraw/zinc/79/19/10/419791910.db2.gz NCQGAEVNFKAWSI-JSGCOSHPSA-N 2 2 321.377 1.666 20 5 DDBDLP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488444 420059733 /nfs/dbraw/zinc/05/97/33/420059733.db2.gz YYRCHESTAFPLAW-JKSUJKDBSA-N 2 2 306.410 1.929 20 5 DDBDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420324818 420209806 /nfs/dbraw/zinc/20/98/06/420209806.db2.gz BCNVERRSGCYPSH-IUODEOHRSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000420324818 420209810 /nfs/dbraw/zinc/20/98/10/420209810.db2.gz BCNVERRSGCYPSH-IUODEOHRSA-N 2 2 320.393 1.983 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658377 420171005 /nfs/dbraw/zinc/17/10/05/420171005.db2.gz XJMIWXHQHDOBRS-CHWSQXEVSA-N 2 2 320.393 1.901 20 5 DDBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430658377 420171007 /nfs/dbraw/zinc/17/10/07/420171007.db2.gz XJMIWXHQHDOBRS-CHWSQXEVSA-N 2 2 320.393 1.901 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777257 420713975 /nfs/dbraw/zinc/71/39/75/420713975.db2.gz IQKVSHOXINXLKA-MNOVXSKESA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777257 420713976 /nfs/dbraw/zinc/71/39/76/420713976.db2.gz IQKVSHOXINXLKA-MNOVXSKESA-N 2 2 317.349 1.814 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000574917395 422216466 /nfs/dbraw/zinc/21/64/66/422216466.db2.gz XCNLQXGXRQIFTQ-GFCCVEGCSA-N 2 2 306.366 1.512 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000574917395 422216469 /nfs/dbraw/zinc/21/64/69/422216469.db2.gz XCNLQXGXRQIFTQ-GFCCVEGCSA-N 2 2 306.366 1.512 20 5 DDBDLP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517568395 302815272 /nfs/dbraw/zinc/81/52/72/302815272.db2.gz CIZLKVYLRLHTNM-QWRGUYRKSA-N 2 2 317.349 1.636 20 5 DDBDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000565299774 308027450 /nfs/dbraw/zinc/02/74/50/308027450.db2.gz LGJFEVQOWUHJGV-ZENOOKHLSA-N 2 2 323.393 1.155 20 5 DDBDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000565299774 308027452 /nfs/dbraw/zinc/02/74/52/308027452.db2.gz LGJFEVQOWUHJGV-ZENOOKHLSA-N 2 2 323.393 1.155 20 5 DDBDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000565299773 308027597 /nfs/dbraw/zinc/02/75/97/308027597.db2.gz LGJFEVQOWUHJGV-XJKCOSOUSA-N 2 2 323.393 1.155 20 5 DDBDLP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000573675777 308248157 /nfs/dbraw/zinc/24/81/57/308248157.db2.gz FZXGMESVBOXVQR-CVEARBPZSA-N 2 2 321.377 1.330 20 5 DDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580064271 308576972 /nfs/dbraw/zinc/57/69/72/308576972.db2.gz SXJJYZXILAYEOY-OCCSQVGLSA-N 2 2 320.349 1.209 20 5 DDBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000801601864 700326431 /nfs/dbraw/zinc/32/64/31/700326431.db2.gz PWALBBQWOLYBPM-MRXNPFEDSA-N 2 2 307.394 1.526 20 5 DDBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000801601864 700326435 /nfs/dbraw/zinc/32/64/35/700326435.db2.gz PWALBBQWOLYBPM-MRXNPFEDSA-N 2 2 307.394 1.526 20 5 DDBDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000817973982 702540799 /nfs/dbraw/zinc/54/07/99/702540799.db2.gz HWAJKCWEQSUUAB-XHDPSFHLSA-N 2 2 308.382 1.596 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818986353 704043928 /nfs/dbraw/zinc/04/39/28/704043928.db2.gz MDRQUWGJTPBOFQ-OWCLPIDISA-N 2 2 321.377 1.081 20 5 DDBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000818986353 704043931 /nfs/dbraw/zinc/04/39/31/704043931.db2.gz MDRQUWGJTPBOFQ-OWCLPIDISA-N 2 2 321.377 1.081 20 5 DDBDLP COCCC[N@H+](C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877071879 705976643 /nfs/dbraw/zinc/97/66/43/705976643.db2.gz UEFOUNVGJUBLHU-UHFFFAOYSA-N 2 2 311.386 1.053 20 5 DDBDLP COCCC[N@@H+](C)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877071879 705976645 /nfs/dbraw/zinc/97/66/45/705976645.db2.gz UEFOUNVGJUBLHU-UHFFFAOYSA-N 2 2 311.386 1.053 20 5 DDBDLP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903469042 711136188 /nfs/dbraw/zinc/13/61/88/711136188.db2.gz PQINUCUNWJRPRX-AWEZNQCLSA-N 2 2 318.377 1.798 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903723272 711255217 /nfs/dbraw/zinc/25/52/17/711255217.db2.gz GWODTVUCMNKEIB-CQSZACIVSA-N 2 2 319.409 1.502 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001158203521 864487066 /nfs/dbraw/zinc/48/70/66/864487066.db2.gz CDLCGJGSDJNVIW-LLVKDONJSA-N 2 2 313.317 1.191 20 5 DDBDLP COc1cc(C)nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001160509803 865889624 /nfs/dbraw/zinc/88/96/24/865889624.db2.gz AJRAOOPUZYRBCI-HNNXBMFYSA-N 2 2 321.381 1.142 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512885 865898118 /nfs/dbraw/zinc/89/81/18/865898118.db2.gz FKYLUVBLXOAYDM-HNNXBMFYSA-N 2 2 305.382 1.442 20 5 DDBDLP CC[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427700 355580516 /nfs/dbraw/zinc/58/05/16/355580516.db2.gz QPTDJXKCBYRWML-DGCLKSJQSA-N 2 2 321.377 1.925 20 5 DDBDLP CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1[NH3+] ZINC000592427700 355580521 /nfs/dbraw/zinc/58/05/21/355580521.db2.gz QPTDJXKCBYRWML-DGCLKSJQSA-N 2 2 321.377 1.925 20 5 DDBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000601328049 358499351 /nfs/dbraw/zinc/49/93/51/358499351.db2.gz FHSOCDVMTGGXGV-UHFFFAOYSA-N 2 2 309.366 1.020 20 5 DDBDLP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594494140 356237550 /nfs/dbraw/zinc/23/75/50/356237550.db2.gz UXTSHWZWUMVWFW-MRXNPFEDSA-N 2 2 305.378 1.938 20 5 DDBDLP Cc1[nH+]cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C ZINC000596979778 357033342 /nfs/dbraw/zinc/03/33/42/357033342.db2.gz OFGTWVFIUFXHAU-UHFFFAOYSA-N 2 2 316.365 1.354 20 5 DDBDLP [NH3+]C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000600724833 358296956 /nfs/dbraw/zinc/29/69/56/358296956.db2.gz IITNUTNBIJGGJC-ONGXEEELSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000600724833 358296959 /nfs/dbraw/zinc/29/69/59/358296959.db2.gz IITNUTNBIJGGJC-ONGXEEELSA-N 2 2 321.303 1.250 20 5 DDBDLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600730734 358299576 /nfs/dbraw/zinc/29/95/76/358299576.db2.gz NFBCPWKPJQWBQN-UHFFFAOYSA-N 2 2 324.381 1.010 20 5 DDBDLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000600730734 358299581 /nfs/dbraw/zinc/29/95/81/358299581.db2.gz NFBCPWKPJQWBQN-UHFFFAOYSA-N 2 2 324.381 1.010 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[N@@H+](CCO)CC3)c2c1 ZINC000601115032 358408358 /nfs/dbraw/zinc/40/83/58/358408358.db2.gz XWSPAHMRYVDZED-UHFFFAOYSA-N 2 2 316.361 1.647 20 5 DDBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[N@H+](CCO)CC3)c2c1 ZINC000601115032 358408361 /nfs/dbraw/zinc/40/83/61/358408361.db2.gz XWSPAHMRYVDZED-UHFFFAOYSA-N 2 2 316.361 1.647 20 5 DDBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802169 360351478 /nfs/dbraw/zinc/35/14/78/360351478.db2.gz BZFHBTDBOUNCKP-CYBMUJFWSA-N 2 2 305.382 1.570 20 5 DDBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802169 360351479 /nfs/dbraw/zinc/35/14/79/360351479.db2.gz BZFHBTDBOUNCKP-CYBMUJFWSA-N 2 2 305.382 1.570 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120191410 195115207 /nfs/dbraw/zinc/11/52/07/195115207.db2.gz NQOXFRWBZBJENN-AWEZNQCLSA-N 2 2 303.322 1.340 20 5 DDBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120191410 195115208 /nfs/dbraw/zinc/11/52/08/195115208.db2.gz NQOXFRWBZBJENN-AWEZNQCLSA-N 2 2 303.322 1.340 20 5 DDBDLP C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354741677 410051880 /nfs/dbraw/zinc/05/18/80/410051880.db2.gz DAYJDQWWTDZNJD-CYBMUJFWSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354741677 410051884 /nfs/dbraw/zinc/05/18/84/410051884.db2.gz DAYJDQWWTDZNJD-CYBMUJFWSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351857906 410292008 /nfs/dbraw/zinc/29/20/08/410292008.db2.gz CSHMVLIHIALLNO-SRVKXCTJSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351857906 410292014 /nfs/dbraw/zinc/29/20/14/410292014.db2.gz CSHMVLIHIALLNO-SRVKXCTJSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863469 410301462 /nfs/dbraw/zinc/30/14/62/410301462.db2.gz UBBGRBRRDFTNMU-SLEUVZQESA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000351863469 410301469 /nfs/dbraw/zinc/30/14/69/410301469.db2.gz UBBGRBRRDFTNMU-SLEUVZQESA-N 2 2 318.377 1.369 20 5 DDBDLP O=[N+]([O-])c1cccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423009070 227312287 /nfs/dbraw/zinc/31/22/87/227312287.db2.gz BXYCWOZUNPSYJI-HZPDHXFCSA-N 2 2 305.378 1.494 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866950 419849762 /nfs/dbraw/zinc/84/97/62/419849762.db2.gz NMYSGJYNAAXFHI-YPMHNXCESA-N 2 2 306.366 1.654 20 5 DDBDLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414879675 419855564 /nfs/dbraw/zinc/85/55/64/419855564.db2.gz IWMGVLMEMMOZJQ-CYBMUJFWSA-N 2 2 301.350 1.447 20 5 DDBDLP CC(C)[C@@H]([NH3+])CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423278876 420001750 /nfs/dbraw/zinc/00/17/50/420001750.db2.gz RGKNPHUZOHIROR-LSDHHAIUSA-N 2 2 317.393 1.991 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430925377 420209662 /nfs/dbraw/zinc/20/96/62/420209662.db2.gz KXBSXVNKJFWYJG-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430925377 420209666 /nfs/dbraw/zinc/20/96/66/420209666.db2.gz KXBSXVNKJFWYJG-QWRGUYRKSA-N 2 2 322.365 1.211 20 5 DDBDLP CN(C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430615428 420157752 /nfs/dbraw/zinc/15/77/52/420157752.db2.gz BXDKBOKDMHSPSD-GFCCVEGCSA-N 2 2 306.366 1.228 20 5 DDBDLP CN(C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000430615428 420157756 /nfs/dbraw/zinc/15/77/56/420157756.db2.gz BXDKBOKDMHSPSD-GFCCVEGCSA-N 2 2 306.366 1.228 20 5 DDBDLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430618102 420160611 /nfs/dbraw/zinc/16/06/11/420160611.db2.gz RCLIBXVFPBMRIE-LBPRGKRZSA-N 2 2 306.366 1.526 20 5 DDBDLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430618102 420160613 /nfs/dbraw/zinc/16/06/13/420160613.db2.gz RCLIBXVFPBMRIE-LBPRGKRZSA-N 2 2 306.366 1.526 20 5 DDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[NH2+]CC1 ZINC000430653788 420171647 /nfs/dbraw/zinc/17/16/47/420171647.db2.gz ZUVDEKIGZFCKGE-UHFFFAOYSA-N 2 2 320.349 1.188 20 5 DDBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[NH2+]CC1 ZINC000430653788 420171651 /nfs/dbraw/zinc/17/16/51/420171651.db2.gz ZUVDEKIGZFCKGE-UHFFFAOYSA-N 2 2 320.349 1.188 20 5 DDBDLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420363794 420237859 /nfs/dbraw/zinc/23/78/59/420237859.db2.gz JUBSTICJFLLSIG-OZTPJHRESA-N 2 2 320.393 1.898 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442791011 420715960 /nfs/dbraw/zinc/71/59/60/420715960.db2.gz MYKHBLNOFQWVGK-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442791011 420715964 /nfs/dbraw/zinc/71/59/64/420715964.db2.gz MYKHBLNOFQWVGK-VXGBXAGGSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449556993 421025075 /nfs/dbraw/zinc/02/50/75/421025075.db2.gz OUULXNJLKZVWIH-RYUDHWBXSA-N 2 2 308.382 1.852 20 5 DDBDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572420032 421785984 /nfs/dbraw/zinc/78/59/84/421785984.db2.gz GYKKWDQJGVKQNX-CMPLNLGQSA-N 2 2 317.349 1.956 20 5 DDBDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572420032 421785986 /nfs/dbraw/zinc/78/59/86/421785986.db2.gz GYKKWDQJGVKQNX-CMPLNLGQSA-N 2 2 317.349 1.956 20 5 DDBDLP COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000422936389 533687257 /nfs/dbraw/zinc/68/72/57/533687257.db2.gz BNIXBNRPQNYNGA-CVEARBPZSA-N 2 2 321.377 1.460 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562777 277064556 /nfs/dbraw/zinc/06/45/56/277064556.db2.gz NBKUJHWAJQTXOG-RDBSUJKOSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562777 277064557 /nfs/dbraw/zinc/06/45/57/277064557.db2.gz NBKUJHWAJQTXOG-RDBSUJKOSA-N 2 2 307.398 1.959 20 5 DDBDLP O=[N+]([O-])c1cnn(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174102729 697384250 /nfs/dbraw/zinc/38/42/50/697384250.db2.gz XEFLUOYWGFGLSN-UHFFFAOYSA-N 2 2 323.397 1.326 20 5 DDBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]CCCNc3cccc[nH+]3)C2)c1 ZINC000877157635 706001225 /nfs/dbraw/zinc/00/12/25/706001225.db2.gz VJWJGTVUPNXGDF-UHFFFAOYSA-N 2 2 316.365 1.982 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473027 710764575 /nfs/dbraw/zinc/76/45/75/710764575.db2.gz OPCMLNLHQFCBLC-WAZAZEMKSA-N 2 2 318.377 1.794 20 5 DDBDLP C[C@@H]([NH2+]CC[N+](=O)[O-])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000905084051 711930988 /nfs/dbraw/zinc/93/09/88/711930988.db2.gz YTPLNLHSBANVKW-GFCCVEGCSA-N 2 2 310.373 1.505 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931319148 714065765 /nfs/dbraw/zinc/06/57/65/714065765.db2.gz XEGMCOKIHKETRR-GASCZTMLSA-N 2 2 307.398 1.373 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931319148 714065767 /nfs/dbraw/zinc/06/57/67/714065767.db2.gz XEGMCOKIHKETRR-GASCZTMLSA-N 2 2 307.398 1.373 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931319148 714065768 /nfs/dbraw/zinc/06/57/68/714065768.db2.gz XEGMCOKIHKETRR-GASCZTMLSA-N 2 2 307.398 1.373 20 5 DDBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931319148 714065770 /nfs/dbraw/zinc/06/57/70/714065770.db2.gz XEGMCOKIHKETRR-GASCZTMLSA-N 2 2 307.398 1.373 20 5 DDBDLP C[NH2+]C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000923286062 714297655 /nfs/dbraw/zinc/29/76/55/714297655.db2.gz GSOOBVIPLSQJSH-CQSZACIVSA-N 2 2 309.366 1.018 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000923426549 714352093 /nfs/dbraw/zinc/35/20/93/714352093.db2.gz NZNVBGOXSOGTTQ-HNNXBMFYSA-N 2 2 305.378 1.846 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000923426549 714352096 /nfs/dbraw/zinc/35/20/96/714352096.db2.gz NZNVBGOXSOGTTQ-HNNXBMFYSA-N 2 2 305.378 1.846 20 5 DDBDLP Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158258862 864521443 /nfs/dbraw/zinc/52/14/43/864521443.db2.gz KKJJCAJXAASZMK-LBPRGKRZSA-N 2 2 305.382 1.300 20 5 DDBDLP Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c([N+](=O)[O-])c1 ZINC001158258862 864521453 /nfs/dbraw/zinc/52/14/53/864521453.db2.gz KKJJCAJXAASZMK-LBPRGKRZSA-N 2 2 305.382 1.300 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922198 892988636 /nfs/dbraw/zinc/98/86/36/892988636.db2.gz UTQRHQJNZPOJKC-MLGOLLRUSA-N 2 2 302.378 1.467 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246922198 892988642 /nfs/dbraw/zinc/98/86/42/892988642.db2.gz UTQRHQJNZPOJKC-MLGOLLRUSA-N 2 2 302.378 1.467 20 5 DDBDLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537949 896494536 /nfs/dbraw/zinc/49/45/36/896494536.db2.gz KODIAHCDIQIDPL-GXTWGEPZSA-N 2 2 323.393 1.786 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154562336 354207509 /nfs/dbraw/zinc/20/75/09/354207509.db2.gz ZQUFNEUZKREUNJ-SWLSCSKDSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154562336 354207512 /nfs/dbraw/zinc/20/75/12/354207512.db2.gz ZQUFNEUZKREUNJ-SWLSCSKDSA-N 2 2 320.393 1.996 20 5 DDBDLP CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592486173 355596192 /nfs/dbraw/zinc/59/61/92/355596192.db2.gz XJUZOVCVKJFZHV-JSGCOSHPSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592486173 355596196 /nfs/dbraw/zinc/59/61/96/355596196.db2.gz XJUZOVCVKJFZHV-JSGCOSHPSA-N 2 2 320.393 1.901 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427568 355580591 /nfs/dbraw/zinc/58/05/91/355580591.db2.gz CGVIWRPZCDFZAN-NWDGAFQWSA-N 2 2 321.377 1.925 20 5 DDBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427568 355580598 /nfs/dbraw/zinc/58/05/98/355580598.db2.gz CGVIWRPZCDFZAN-NWDGAFQWSA-N 2 2 321.377 1.925 20 5 DDBDLP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601104660 358403389 /nfs/dbraw/zinc/40/33/89/358403389.db2.gz CFYVGHGTOUPMTM-LBPRGKRZSA-N 2 2 316.361 1.698 20 5 DDBDLP CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472931 284329052 /nfs/dbraw/zinc/32/90/52/284329052.db2.gz BWUYMTUJTUHDIH-TUKIKUTGSA-N 2 2 318.377 1.227 20 5 DDBDLP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000351472931 284329054 /nfs/dbraw/zinc/32/90/54/284329054.db2.gz BWUYMTUJTUHDIH-TUKIKUTGSA-N 2 2 318.377 1.227 20 5 DDBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000176808587 285163578 /nfs/dbraw/zinc/16/35/78/285163578.db2.gz YJBWCSUBKLXJQJ-UHFFFAOYSA-N 2 2 301.350 1.614 20 5 DDBDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293607209 409147072 /nfs/dbraw/zinc/14/70/72/409147072.db2.gz GIUCNAASJYYCCI-AAEUAGOBSA-N 2 2 308.382 1.284 20 5 DDBDLP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303109778 409536587 /nfs/dbraw/zinc/53/65/87/409536587.db2.gz KJMLMNQHSMBJAX-OAHLLOKOSA-N 2 2 323.393 1.361 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351858605 410297165 /nfs/dbraw/zinc/29/71/65/410297165.db2.gz BDDYDUFPIKHDRH-QJPTWQEYSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351858605 410297171 /nfs/dbraw/zinc/29/71/71/410297171.db2.gz BDDYDUFPIKHDRH-QJPTWQEYSA-N 2 2 306.366 1.591 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679903 410874115 /nfs/dbraw/zinc/87/41/15/410874115.db2.gz YESWMKLXPYYBOU-JQWIXIFHSA-N 2 2 309.366 1.881 20 5 DDBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679903 410874122 /nfs/dbraw/zinc/87/41/22/410874122.db2.gz YESWMKLXPYYBOU-JQWIXIFHSA-N 2 2 309.366 1.881 20 5 DDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580064272 422882230 /nfs/dbraw/zinc/88/22/30/422882230.db2.gz SXJJYZXILAYEOY-TZMCWYRMSA-N 2 2 320.349 1.209 20 5 DDBDLP O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422786654 227178159 /nfs/dbraw/zinc/17/81/59/227178159.db2.gz LBZGHCQZSDQBGL-JKSUJKDBSA-N 2 2 305.378 1.494 20 5 DDBDLP Cn1cc([C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424303490 228256027 /nfs/dbraw/zinc/25/60/27/228256027.db2.gz ZWNNRWMOXWDZEI-JKSUJKDBSA-N 2 2 315.377 1.298 20 5 DDBDLP Cn1cc([C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424303490 228256029 /nfs/dbraw/zinc/25/60/29/228256029.db2.gz ZWNNRWMOXWDZEI-JKSUJKDBSA-N 2 2 315.377 1.298 20 5 DDBDLP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422786648 419966729 /nfs/dbraw/zinc/96/67/29/419966729.db2.gz LBZGHCQZSDQBGL-CVEARBPZSA-N 2 2 305.378 1.494 20 5 DDBDLP COCC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423325518 420013580 /nfs/dbraw/zinc/01/35/80/420013580.db2.gz IWSCJUDQULLFTD-CHWSQXEVSA-N 2 2 311.386 1.101 20 5 DDBDLP C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430929733 420210887 /nfs/dbraw/zinc/21/08/87/420210887.db2.gz QAGWQESPYJLSLP-RISCZKNCSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430929733 420210891 /nfs/dbraw/zinc/21/08/91/420210891.db2.gz QAGWQESPYJLSLP-RISCZKNCSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430632663 420165219 /nfs/dbraw/zinc/16/52/19/420165219.db2.gz YYPGQPPJNQPLNU-VXGBXAGGSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430632663 420165221 /nfs/dbraw/zinc/16/52/21/420165221.db2.gz YYPGQPPJNQPLNU-VXGBXAGGSA-N 2 2 306.366 1.593 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442792760 420715561 /nfs/dbraw/zinc/71/55/61/420715561.db2.gz QWGUKDPEHZIYHJ-WCFLWFBJSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442792760 420715565 /nfs/dbraw/zinc/71/55/65/420715565.db2.gz QWGUKDPEHZIYHJ-WCFLWFBJSA-N 2 2 320.393 1.899 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423193937 533685415 /nfs/dbraw/zinc/68/54/15/533685415.db2.gz RCQRFWBUISWOOY-YPMHNXCESA-N 2 2 306.366 1.654 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414932431 279247516 /nfs/dbraw/zinc/24/75/16/279247516.db2.gz RBXQHEKUBICHDF-ZOWXZIJZSA-N 2 2 320.393 1.900 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000576280424 308303074 /nfs/dbraw/zinc/30/30/74/308303074.db2.gz VXYWDBMUKJTTOB-CYBMUJFWSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000576280424 308303076 /nfs/dbraw/zinc/30/30/76/308303076.db2.gz VXYWDBMUKJTTOB-CYBMUJFWSA-N 2 2 306.366 1.526 20 5 DDBDLP C[C@@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]C1 ZINC000582845745 337205815 /nfs/dbraw/zinc/20/58/15/337205815.db2.gz JAHBRYFGXHJHDM-OAHLLOKOSA-N 2 2 305.382 1.111 20 5 DDBDLP COc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001155057579 861689820 /nfs/dbraw/zinc/68/98/20/861689820.db2.gz KGVRNMMVUIDSLO-UHFFFAOYSA-N 2 2 303.322 1.651 20 5 DDBDLP Cc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001164213253 869022287 /nfs/dbraw/zinc/02/22/87/869022287.db2.gz QXKGRGMERLCODD-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317469514 870889798 /nfs/dbraw/zinc/88/97/98/870889798.db2.gz GDFZDVLAAKVSGT-UHFFFAOYSA-N 2 2 320.393 1.239 20 5 DDBDLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317469514 870889808 /nfs/dbraw/zinc/88/98/08/870889808.db2.gz GDFZDVLAAKVSGT-UHFFFAOYSA-N 2 2 320.393 1.239 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427570 355580530 /nfs/dbraw/zinc/58/05/30/355580530.db2.gz CGVIWRPZCDFZAN-VXGBXAGGSA-N 2 2 321.377 1.925 20 5 DDBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592427570 355580533 /nfs/dbraw/zinc/58/05/33/355580533.db2.gz CGVIWRPZCDFZAN-VXGBXAGGSA-N 2 2 321.377 1.925 20 5 DDBDLP COCC[N@H+](C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510126 359020326 /nfs/dbraw/zinc/02/03/26/359020326.db2.gz KHFUOSPURPCQBC-UHFFFAOYSA-N 2 2 322.365 1.794 20 5 DDBDLP COCC[N@@H+](C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510126 359020328 /nfs/dbraw/zinc/02/03/28/359020328.db2.gz KHFUOSPURPCQBC-UHFFFAOYSA-N 2 2 322.365 1.794 20 5 DDBDLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348306992 283462679 /nfs/dbraw/zinc/46/26/79/283462679.db2.gz PUHUPJQZHLMTSS-NWDGAFQWSA-N 2 2 308.382 1.852 20 5 DDBDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000414130159 224302805 /nfs/dbraw/zinc/30/28/05/224302805.db2.gz WOOVTDOBDSNDOQ-ZIAGYGMSSA-N 2 2 318.381 1.841 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261663151 407572941 /nfs/dbraw/zinc/57/29/41/407572941.db2.gz IKXDHGZTFKZTPR-XHDPSFHLSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261663151 407572944 /nfs/dbraw/zinc/57/29/44/407572944.db2.gz IKXDHGZTFKZTPR-XHDPSFHLSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262554802 407864449 /nfs/dbraw/zinc/86/44/49/407864449.db2.gz TWNBTKQQZQVJQZ-GXFFZTMASA-N 2 2 306.366 1.110 20 5 DDBDLP C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262554802 407864455 /nfs/dbraw/zinc/86/44/55/407864455.db2.gz TWNBTKQQZQVJQZ-GXFFZTMASA-N 2 2 306.366 1.110 20 5 DDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000344918381 409554839 /nfs/dbraw/zinc/55/48/39/409554839.db2.gz XOFRILVQWCBZRH-RKCSUWQLSA-N 2 2 318.421 1.834 20 5 DDBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000344918381 409554852 /nfs/dbraw/zinc/55/48/52/409554852.db2.gz XOFRILVQWCBZRH-RKCSUWQLSA-N 2 2 318.421 1.834 20 5 DDBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349301439 409784691 /nfs/dbraw/zinc/78/46/91/409784691.db2.gz VDDXOWOAADAWAK-UHFFFAOYSA-N 2 2 322.409 1.370 20 5 DDBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349301439 409784708 /nfs/dbraw/zinc/78/47/08/409784708.db2.gz VDDXOWOAADAWAK-UHFFFAOYSA-N 2 2 322.409 1.370 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864494 410305331 /nfs/dbraw/zinc/30/53/31/410305331.db2.gz YIICHPTVCPBMDO-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864494 410305340 /nfs/dbraw/zinc/30/53/40/410305340.db2.gz YIICHPTVCPBMDO-RYUDHWBXSA-N 2 2 306.366 1.511 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561817 418464715 /nfs/dbraw/zinc/46/47/15/418464715.db2.gz KDHLEFXSBTVQEX-MLGOLLRUSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561817 418464717 /nfs/dbraw/zinc/46/47/17/418464717.db2.gz KDHLEFXSBTVQEX-MLGOLLRUSA-N 2 2 318.377 1.607 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423355971 420023862 /nfs/dbraw/zinc/02/38/62/420023862.db2.gz GCHPJJCJACRMQK-LALPHHSUSA-N 2 2 320.393 1.900 20 5 DDBDLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000423653070 420115226 /nfs/dbraw/zinc/11/52/26/420115226.db2.gz YMPSBCRHFZMONJ-PWSUYJOCSA-N 2 2 315.333 1.342 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420370831 420244201 /nfs/dbraw/zinc/24/42/01/420244201.db2.gz CXARTFMMCYLMSP-YPMHNXCESA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420370831 420244204 /nfs/dbraw/zinc/24/42/04/420244204.db2.gz CXARTFMMCYLMSP-YPMHNXCESA-N 2 2 320.393 1.758 20 5 DDBDLP C[NH2+]CCCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423200314 277022840 /nfs/dbraw/zinc/02/28/40/277022840.db2.gz LTTQQYFLUAEESY-CQSZACIVSA-N 2 2 303.366 1.617 20 5 DDBDLP [NH3+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000237922667 295263861 /nfs/dbraw/zinc/26/38/61/295263861.db2.gz MKXBFNOEJSNWNJ-LBPRGKRZSA-N 2 2 315.333 1.248 20 5 DDBDLP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517568394 302815220 /nfs/dbraw/zinc/81/52/20/302815220.db2.gz CIZLKVYLRLHTNM-MNOVXSKESA-N 2 2 317.349 1.636 20 5 DDBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423233875 303004261 /nfs/dbraw/zinc/00/42/61/303004261.db2.gz KQIWGKWEBSIXPO-DZGCQCFKSA-N 2 2 315.377 1.759 20 5 DDBDLP O=C(N[C@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179102545 490687649 /nfs/dbraw/zinc/68/76/49/490687649.db2.gz KKRLSARMFXQYPQ-LBPRGKRZSA-N 2 2 315.333 1.262 20 5 DDBDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000817973976 702541159 /nfs/dbraw/zinc/54/11/59/702541159.db2.gz HWAJKCWEQSUUAB-ABAIWWIYSA-N 2 2 308.382 1.596 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863569077 705960625 /nfs/dbraw/zinc/96/06/25/705960625.db2.gz POVBIWCNOWCDES-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000863569077 705960626 /nfs/dbraw/zinc/96/06/26/705960626.db2.gz POVBIWCNOWCDES-SNVBAGLBSA-N 2 2 310.354 1.211 20 5 DDBDLP C[C@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000877831480 706227101 /nfs/dbraw/zinc/22/71/01/706227101.db2.gz UXWOMRDUAOLYJZ-KSZJFAHPSA-N 2 2 323.393 1.061 20 5 DDBDLP C[C@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000877831480 706227103 /nfs/dbraw/zinc/22/71/03/706227103.db2.gz UXWOMRDUAOLYJZ-KSZJFAHPSA-N 2 2 323.393 1.061 20 5 DDBDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926964184 712923372 /nfs/dbraw/zinc/92/33/72/712923372.db2.gz WKIYALGJDGAGJN-AAEUAGOBSA-N 2 2 310.398 1.794 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923409767 714346287 /nfs/dbraw/zinc/34/62/87/714346287.db2.gz SYKIIGBJUKDSCI-OAGGEKHMSA-N 2 2 305.378 1.560 20 5 DDBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923409767 714346288 /nfs/dbraw/zinc/34/62/88/714346288.db2.gz SYKIIGBJUKDSCI-OAGGEKHMSA-N 2 2 305.378 1.560 20 5 DDBDLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126436958 740111990 /nfs/dbraw/zinc/11/19/90/740111990.db2.gz PANCEJZPABPISL-UHFFFAOYSA-N 2 2 317.349 1.157 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001184387309 744031489 /nfs/dbraw/zinc/03/14/89/744031489.db2.gz IVUBZHDSDNQJDB-RWMBFGLXSA-N 2 2 321.377 1.739 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001184387309 744031493 /nfs/dbraw/zinc/03/14/93/744031493.db2.gz IVUBZHDSDNQJDB-RWMBFGLXSA-N 2 2 321.377 1.739 20 5 DDBDLP O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155058293 861689405 /nfs/dbraw/zinc/68/94/05/861689405.db2.gz UZROKAFCNYQXDF-UHFFFAOYSA-N 2 2 323.740 1.534 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154562447 354207868 /nfs/dbraw/zinc/20/78/68/354207868.db2.gz ZQUFNEUZKREUNJ-IUODEOHRSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154562447 354207875 /nfs/dbraw/zinc/20/78/75/354207875.db2.gz ZQUFNEUZKREUNJ-IUODEOHRSA-N 2 2 320.393 1.996 20 5 DDBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000593907392 356053135 /nfs/dbraw/zinc/05/31/35/356053135.db2.gz RDHBXPPPAXNOAJ-HNNXBMFYSA-N 2 2 320.393 1.365 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989669 357407602 /nfs/dbraw/zinc/40/76/02/357407602.db2.gz HWHAVCHNFDNRBW-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989669 357407606 /nfs/dbraw/zinc/40/76/06/357407606.db2.gz HWHAVCHNFDNRBW-UHFFFAOYSA-N 2 2 322.409 1.517 20 5 DDBDLP CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359039822 299314141 /nfs/dbraw/zinc/31/41/41/299314141.db2.gz JNXJNAWNSZWZMA-KGLIPLIRSA-N 2 2 309.366 1.412 20 5 DDBDLP CO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359039822 299314145 /nfs/dbraw/zinc/31/41/45/299314145.db2.gz JNXJNAWNSZWZMA-KGLIPLIRSA-N 2 2 309.366 1.412 20 5 DDBDLP C[C@]1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000415093074 291380813 /nfs/dbraw/zinc/38/08/13/291380813.db2.gz BPETYZLUTZLCAI-HNNXBMFYSA-N 2 2 305.382 1.111 20 5 DDBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]12 ZINC000351494574 284343252 /nfs/dbraw/zinc/34/32/52/284343252.db2.gz OHHWOTVIOMDMFD-ZMLRMANQSA-N 2 2 302.334 1.905 20 5 DDBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]12 ZINC000351494574 284343255 /nfs/dbraw/zinc/34/32/55/284343255.db2.gz OHHWOTVIOMDMFD-ZMLRMANQSA-N 2 2 302.334 1.905 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417350821 533448784 /nfs/dbraw/zinc/44/87/84/533448784.db2.gz AIFALQDRAQKMQT-LBPRGKRZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000070708754 406822660 /nfs/dbraw/zinc/82/26/60/406822660.db2.gz ALLHSERPQWFVDO-UHFFFAOYSA-N 2 2 315.333 1.168 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925094 420209427 /nfs/dbraw/zinc/20/94/27/420209427.db2.gz KDQRVQKSYATVKZ-WFASDCNBSA-N 2 2 318.377 1.241 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430925094 420209429 /nfs/dbraw/zinc/20/94/29/420209429.db2.gz KDQRVQKSYATVKZ-WFASDCNBSA-N 2 2 318.377 1.241 20 5 DDBDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420347816 420227442 /nfs/dbraw/zinc/22/74/42/420227442.db2.gz ZJDQWYMVYFRGNC-OLZOCXBDSA-N 2 2 320.393 1.983 20 5 DDBDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420347816 420227444 /nfs/dbraw/zinc/22/74/44/420227444.db2.gz ZJDQWYMVYFRGNC-OLZOCXBDSA-N 2 2 320.393 1.983 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420355086 420230911 /nfs/dbraw/zinc/23/09/11/420230911.db2.gz BPRQNIUIOMRJMX-HWWQOWPSSA-N 2 2 320.393 1.818 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420355087 420232146 /nfs/dbraw/zinc/23/21/46/420232146.db2.gz BPRQNIUIOMRJMX-MQIPJXDCSA-N 2 2 320.393 1.818 20 5 DDBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420375161 420245772 /nfs/dbraw/zinc/24/57/72/420245772.db2.gz SSIHHPBKSPFSLJ-HFAKWTLXSA-N 2 2 306.366 1.509 20 5 DDBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344775514 272115854 /nfs/dbraw/zinc/11/58/54/272115854.db2.gz WCBOLPLRMWPMSC-UHFFFAOYSA-N 2 2 323.397 1.021 20 5 DDBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344775514 272115857 /nfs/dbraw/zinc/11/58/57/272115857.db2.gz WCBOLPLRMWPMSC-UHFFFAOYSA-N 2 2 323.397 1.021 20 5 DDBDLP Cc1nc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666743 307252550 /nfs/dbraw/zinc/25/25/50/307252550.db2.gz VKKXJNTYBVKYAW-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP Cc1nc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666743 307252551 /nfs/dbraw/zinc/25/25/51/307252551.db2.gz VKKXJNTYBVKYAW-CYBMUJFWSA-N 2 2 319.409 1.879 20 5 DDBDLP CCC1([NH+]2CCC2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000886710902 708819740 /nfs/dbraw/zinc/81/97/40/708819740.db2.gz IVODOENZDNLLIZ-UHFFFAOYSA-N 2 2 307.398 1.742 20 5 DDBDLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903529464 711172226 /nfs/dbraw/zinc/17/22/26/711172226.db2.gz FAUFUXAQMPCLAS-HNNXBMFYSA-N 2 2 320.393 1.997 20 5 DDBDLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903529464 711172228 /nfs/dbraw/zinc/17/22/28/711172228.db2.gz FAUFUXAQMPCLAS-HNNXBMFYSA-N 2 2 320.393 1.997 20 5 DDBDLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169053539 762207937 /nfs/dbraw/zinc/20/79/37/762207937.db2.gz IKMCHHXCOISOHQ-UONOGXRCSA-N 2 2 320.393 1.658 20 5 DDBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2cccnc2c2ncccc12 ZINC001169074771 762222234 /nfs/dbraw/zinc/22/22/34/762222234.db2.gz NHRGKYHXOSDZNS-CYBMUJFWSA-N 2 2 319.368 1.831 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001157914834 864253457 /nfs/dbraw/zinc/25/34/57/864253457.db2.gz MOKSUSAAVRWVGR-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259183 864521613 /nfs/dbraw/zinc/52/16/13/864521613.db2.gz OULIFPOYCCDTEO-LBPRGKRZSA-N 2 2 305.382 1.300 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259183 864521621 /nfs/dbraw/zinc/52/16/21/864521621.db2.gz OULIFPOYCCDTEO-LBPRGKRZSA-N 2 2 305.382 1.300 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC001337823816 869644427 /nfs/dbraw/zinc/64/44/27/869644427.db2.gz FAXIKXRJJSBIHJ-JKSUJKDBSA-N 2 2 303.362 1.679 20 5 DDBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC001337823816 869644435 /nfs/dbraw/zinc/64/44/35/869644435.db2.gz FAXIKXRJJSBIHJ-JKSUJKDBSA-N 2 2 303.362 1.679 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000287096378 219311200 /nfs/dbraw/zinc/31/12/00/219311200.db2.gz PUHUPJQZHLMTSS-RYUDHWBXSA-N 2 2 308.382 1.852 20 5 DDBDLP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594494139 356237259 /nfs/dbraw/zinc/23/72/59/356237259.db2.gz UXTSHWZWUMVWFW-INIZCTEOSA-N 2 2 305.378 1.938 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000595032292 356374332 /nfs/dbraw/zinc/37/43/32/356374332.db2.gz MCVGCLPUDOIYEC-IAQYHMDHSA-N 2 2 309.366 1.321 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000595032292 356374335 /nfs/dbraw/zinc/37/43/35/356374335.db2.gz MCVGCLPUDOIYEC-IAQYHMDHSA-N 2 2 309.366 1.321 20 5 DDBDLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000597014779 357040588 /nfs/dbraw/zinc/04/05/88/357040588.db2.gz RYFJYUWLQMFDJU-GFCCVEGCSA-N 2 2 316.365 1.718 20 5 DDBDLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000597014779 357040590 /nfs/dbraw/zinc/04/05/90/357040590.db2.gz RYFJYUWLQMFDJU-GFCCVEGCSA-N 2 2 316.365 1.718 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000599065412 357805791 /nfs/dbraw/zinc/80/57/91/357805791.db2.gz JTAYIUUERGNUGB-IUODEOHRSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000599065412 357805794 /nfs/dbraw/zinc/80/57/94/357805794.db2.gz JTAYIUUERGNUGB-IUODEOHRSA-N 2 2 320.393 1.996 20 5 DDBDLP C[C@H]1COCC[N@@H+]1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601113556 358407437 /nfs/dbraw/zinc/40/74/37/358407437.db2.gz IDHABUDQEPOIBG-LBPRGKRZSA-N 2 2 316.361 1.698 20 5 DDBDLP C[C@H]1COCC[N@H+]1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601113556 358407443 /nfs/dbraw/zinc/40/74/43/358407443.db2.gz IDHABUDQEPOIBG-LBPRGKRZSA-N 2 2 316.361 1.698 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000261628679 407561008 /nfs/dbraw/zinc/56/10/08/407561008.db2.gz CSNOYWZVZCJDSV-OAHLLOKOSA-N 2 2 317.349 1.816 20 5 DDBDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000261628679 407561013 /nfs/dbraw/zinc/56/10/13/407561013.db2.gz CSNOYWZVZCJDSV-OAHLLOKOSA-N 2 2 317.349 1.816 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850766 407641841 /nfs/dbraw/zinc/64/18/41/407641841.db2.gz DLJGIGAKBCLUHQ-RYUDHWBXSA-N 2 2 306.366 1.593 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261850766 407641844 /nfs/dbraw/zinc/64/18/44/407641844.db2.gz DLJGIGAKBCLUHQ-RYUDHWBXSA-N 2 2 306.366 1.593 20 5 DDBDLP [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237971124 407860432 /nfs/dbraw/zinc/86/04/32/407860432.db2.gz AOBUOOSSPGKRFM-LBPRGKRZSA-N 2 2 315.333 1.344 20 5 DDBDLP C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000160471413 408485904 /nfs/dbraw/zinc/48/59/04/408485904.db2.gz GYCAETNOUUIZGP-GFCCVEGCSA-N 2 2 315.333 1.214 20 5 DDBDLP COc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357070001 409835360 /nfs/dbraw/zinc/83/53/60/409835360.db2.gz ILQNCFMCROUELN-QWHCGFSZSA-N 2 2 321.377 1.524 20 5 DDBDLP COc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357070001 409835373 /nfs/dbraw/zinc/83/53/73/409835373.db2.gz ILQNCFMCROUELN-QWHCGFSZSA-N 2 2 321.377 1.524 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857904 410294574 /nfs/dbraw/zinc/29/45/74/410294574.db2.gz CSHMVLIHIALLNO-QJPTWQEYSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857904 410294577 /nfs/dbraw/zinc/29/45/77/410294577.db2.gz CSHMVLIHIALLNO-QJPTWQEYSA-N 2 2 306.366 1.591 20 5 DDBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262458931 287152527 /nfs/dbraw/zinc/15/25/27/287152527.db2.gz IKGBQLZRIXXTPR-KBPBESRZSA-N 2 2 304.394 1.635 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365633760 418885812 /nfs/dbraw/zinc/88/58/12/418885812.db2.gz WIWGCESWCKCTOQ-LLVKDONJSA-N 2 2 304.354 1.441 20 5 DDBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365633760 418885815 /nfs/dbraw/zinc/88/58/15/418885815.db2.gz WIWGCESWCKCTOQ-LLVKDONJSA-N 2 2 304.354 1.441 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972741 420229435 /nfs/dbraw/zinc/22/94/35/420229435.db2.gz UATYWFXPHZBUAV-RYUDHWBXSA-N 2 2 306.366 1.463 20 5 DDBDLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430972741 420229438 /nfs/dbraw/zinc/22/94/38/420229438.db2.gz UATYWFXPHZBUAV-RYUDHWBXSA-N 2 2 306.366 1.463 20 5 DDBDLP COc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422951209 533684044 /nfs/dbraw/zinc/68/40/44/533684044.db2.gz ZWAARSCEDWYBJX-AAEUAGOBSA-N 2 2 309.366 1.460 20 5 DDBDLP COc1cc(C[NH2+]CCc2cn(C)c[nH+]2)c([N+](=O)[O-])cc1O ZINC000459654304 420842207 /nfs/dbraw/zinc/84/22/07/420842207.db2.gz DZAWBWCNHFQKMR-UHFFFAOYSA-N 2 2 306.322 1.375 20 5 DDBDLP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000449589613 421032845 /nfs/dbraw/zinc/03/28/45/421032845.db2.gz KDBVSNHXIIDXCU-NXEZZACHSA-N 2 2 303.322 1.246 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000520231142 421742562 /nfs/dbraw/zinc/74/25/62/421742562.db2.gz FVWLRYJDUMFZTQ-ZDUSSCGKSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000520231142 421742566 /nfs/dbraw/zinc/74/25/66/421742566.db2.gz FVWLRYJDUMFZTQ-ZDUSSCGKSA-N 2 2 306.366 1.526 20 5 DDBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353102 301170373 /nfs/dbraw/zinc/17/03/73/301170373.db2.gz BLYCICCETVHSGG-QGZVFWFLSA-N 2 2 318.421 1.807 20 5 DDBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353102 301170374 /nfs/dbraw/zinc/17/03/74/301170374.db2.gz BLYCICCETVHSGG-QGZVFWFLSA-N 2 2 318.421 1.807 20 5 DDBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583019450 337225607 /nfs/dbraw/zinc/22/56/07/337225607.db2.gz DCPCEJRVYUOCJA-GFCCVEGCSA-N 2 2 317.349 1.798 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946612 698446584 /nfs/dbraw/zinc/44/65/84/698446584.db2.gz MJVFCLJORCZAHF-JQWIXIFHSA-N 2 2 306.366 1.253 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000261946612 698446585 /nfs/dbraw/zinc/44/65/85/698446585.db2.gz MJVFCLJORCZAHF-JQWIXIFHSA-N 2 2 306.366 1.253 20 5 DDBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902445880 710757049 /nfs/dbraw/zinc/75/70/49/710757049.db2.gz NCPKVORKZZBPKK-SMDDNHRTSA-N 2 2 320.393 1.900 20 5 DDBDLP CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923287729 714298326 /nfs/dbraw/zinc/29/83/26/714298326.db2.gz VYEPHGZWBAPTHU-LSDHHAIUSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000923287729 714298328 /nfs/dbraw/zinc/29/83/28/714298328.db2.gz VYEPHGZWBAPTHU-LSDHHAIUSA-N 2 2 323.393 1.408 20 5 DDBDLP Cc1cc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)c1[N+](=O)[O-] ZINC001169073945 762221114 /nfs/dbraw/zinc/22/11/14/762221114.db2.gz OHDXHFNPDLVASO-GFCCVEGCSA-N 2 2 304.350 1.568 20 5 DDBDLP Cc1nc(Cl)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155053094 861683419 /nfs/dbraw/zinc/68/34/19/861683419.db2.gz KWJNPHODJVPUAV-UHFFFAOYSA-N 2 2 322.756 1.999 20 5 DDBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155376218 862010971 /nfs/dbraw/zinc/01/09/71/862010971.db2.gz KQAKIQSQKNFLRQ-AWEZNQCLSA-N 2 2 319.409 1.466 20 5 DDBDLP CCOc1nc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001165354482 869541569 /nfs/dbraw/zinc/54/15/69/869541569.db2.gz AUDRDWHDAFYMID-UHFFFAOYSA-N 2 2 317.349 1.571 20 5 DDBDLP Cc1[nH+]c2c(n1-c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC[NH2+]CC2 ZINC001165353948 869542253 /nfs/dbraw/zinc/54/22/53/869542253.db2.gz VLIGTHAAENKHPR-UHFFFAOYSA-N 2 2 312.333 1.653 20 5 DDBDLP C[NH+](C)C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001356570277 879104146 /nfs/dbraw/zinc/10/41/46/879104146.db2.gz RRMILHZLURGXPI-UHFFFAOYSA-N 2 2 308.382 1.853 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922196 892988575 /nfs/dbraw/zinc/98/85/75/892988575.db2.gz UTQRHQJNZPOJKC-LRDDRELGSA-N 2 2 302.378 1.467 20 5 DDBDLP O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC001246922196 892988579 /nfs/dbraw/zinc/98/85/79/892988579.db2.gz UTQRHQJNZPOJKC-LRDDRELGSA-N 2 2 302.378 1.467 20 5 DDBDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734049 355374141 /nfs/dbraw/zinc/37/41/41/355374141.db2.gz YOUWVZCMHGXUGN-OCCSQVGLSA-N 2 2 309.366 1.018 20 5 DDBDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591734049 355374144 /nfs/dbraw/zinc/37/41/44/355374144.db2.gz YOUWVZCMHGXUGN-OCCSQVGLSA-N 2 2 309.366 1.018 20 5 DDBDLP C[C@H]1C[N@H+](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601111857 358406672 /nfs/dbraw/zinc/40/66/72/358406672.db2.gz YLYYQZROCSJDQZ-LBPRGKRZSA-N 2 2 316.361 1.698 20 5 DDBDLP C[C@H]1C[N@@H+](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601111857 358406675 /nfs/dbraw/zinc/40/66/75/358406675.db2.gz YLYYQZROCSJDQZ-LBPRGKRZSA-N 2 2 316.361 1.698 20 5 DDBDLP C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000602551225 359040683 /nfs/dbraw/zinc/04/06/83/359040683.db2.gz OJBYQVJADRZGCJ-AWEZNQCLSA-N 2 2 307.394 1.695 20 5 DDBDLP C[C@](CO)([NH2+]CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000602961530 359323886 /nfs/dbraw/zinc/32/38/86/359323886.db2.gz BHDUKAPHUGTZFL-OAHLLOKOSA-N 2 2 304.350 1.679 20 5 DDBDLP C[C@@H](N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000423472821 296154508 /nfs/dbraw/zinc/15/45/08/296154508.db2.gz QJMVVZYNQQDIGL-MISXGVKJSA-N 2 2 303.366 1.743 20 5 DDBDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000122444306 407300940 /nfs/dbraw/zinc/30/09/40/407300940.db2.gz CVECOLXWJAVZNB-UHFFFAOYSA-N 2 2 320.393 1.237 20 5 DDBDLP C[N@H+](C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290811725 408836704 /nfs/dbraw/zinc/83/67/04/408836704.db2.gz RFYPNWJQFDZVDJ-OAHLLOKOSA-N 2 2 316.361 1.913 20 5 DDBDLP C[N@@H+](C[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290811725 408836707 /nfs/dbraw/zinc/83/67/07/408836707.db2.gz RFYPNWJQFDZVDJ-OAHLLOKOSA-N 2 2 316.361 1.913 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858426 410296322 /nfs/dbraw/zinc/29/63/22/410296322.db2.gz DCEQAXYPQPQYLO-AGIUHOORSA-N 2 2 320.393 1.899 20 5 DDBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351858426 410296329 /nfs/dbraw/zinc/29/63/29/410296329.db2.gz DCEQAXYPQPQYLO-AGIUHOORSA-N 2 2 320.393 1.899 20 5 DDBDLP C[C@@H](CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000353511969 411040867 /nfs/dbraw/zinc/04/08/67/411040867.db2.gz BXQMNSFPYRNQRZ-WFASDCNBSA-N 2 2 317.393 1.957 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423520759 420071666 /nfs/dbraw/zinc/07/16/66/420071666.db2.gz QFVXIMRHQWMMAU-GXTWGEPZSA-N 2 2 322.409 1.548 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] ZINC000430929558 420211422 /nfs/dbraw/zinc/21/14/22/420211422.db2.gz PEHPXTFTACBPTN-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000430929558 420211426 /nfs/dbraw/zinc/21/14/26/420211426.db2.gz PEHPXTFTACBPTN-JTQLQIEISA-N 2 2 310.354 1.211 20 5 DDBDLP Cc1cc(N[C@H](C)[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420273464 420177768 /nfs/dbraw/zinc/17/77/68/420177768.db2.gz XMXFSAUERMZGAD-GHMZBOCLSA-N 2 2 301.350 1.930 20 5 DDBDLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000430954090 420222136 /nfs/dbraw/zinc/22/21/36/420222136.db2.gz IPBNPHHNOCVDET-DFBGVHRSSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1[NH3+] ZINC000430954090 420222139 /nfs/dbraw/zinc/22/21/39/420222139.db2.gz IPBNPHHNOCVDET-DFBGVHRSSA-N 2 2 318.377 1.369 20 5 DDBDLP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000449388860 421004821 /nfs/dbraw/zinc/00/48/21/421004821.db2.gz BLIRAJAIMGUPEY-OAHLLOKOSA-N 2 2 307.394 1.840 20 5 DDBDLP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000449388860 421004825 /nfs/dbraw/zinc/00/48/25/421004825.db2.gz BLIRAJAIMGUPEY-OAHLLOKOSA-N 2 2 307.394 1.840 20 5 DDBDLP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000449589614 421033808 /nfs/dbraw/zinc/03/38/08/421033808.db2.gz KDBVSNHXIIDXCU-UWVGGRQHSA-N 2 2 303.322 1.246 20 5 DDBDLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000517568393 421618973 /nfs/dbraw/zinc/61/89/73/421618973.db2.gz CIZLKVYLRLHTNM-GHMZBOCLSA-N 2 2 317.349 1.636 20 5 DDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903697 422672584 /nfs/dbraw/zinc/67/25/84/422672584.db2.gz SRWYXPNYDZOJJZ-DGCLKSJQSA-N 2 2 318.377 1.296 20 5 DDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000578903697 422672588 /nfs/dbraw/zinc/67/25/88/422672588.db2.gz SRWYXPNYDZOJJZ-DGCLKSJQSA-N 2 2 318.377 1.296 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843061706 702810793 /nfs/dbraw/zinc/81/07/93/702810793.db2.gz HKAGICAJLDDELP-HOTGVXAUSA-N 2 2 323.393 1.065 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000846876605 703345345 /nfs/dbraw/zinc/34/53/45/703345345.db2.gz BMWJJSXEDPAJLB-AWEZNQCLSA-N 2 2 317.349 1.174 20 5 DDBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2C[NH+](C)C2)c1F ZINC001173192464 777037832 /nfs/dbraw/zinc/03/78/32/777037832.db2.gz QDBRUKGENHAVTD-SNVBAGLBSA-N 2 2 311.357 1.825 20 5 DDBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001157915490 864256598 /nfs/dbraw/zinc/25/65/98/864256598.db2.gz ZHLNYNYGYBPNCU-UHFFFAOYSA-N 2 2 314.349 1.737 20 5 DDBDLP Cc1[nH+]c2c(n1-c1cc(Cl)ncc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352591 869540266 /nfs/dbraw/zinc/54/02/66/869540266.db2.gz XNAUAOHTKIFRMM-UHFFFAOYSA-N 2 2 307.741 1.826 20 5 DDBDLP C[NH+](C)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001338533997 870034216 /nfs/dbraw/zinc/03/42/16/870034216.db2.gz BVHWNNROFPIPRV-TZMCWYRMSA-N 2 2 320.393 1.996 20 5 DDBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001356610551 879129486 /nfs/dbraw/zinc/12/94/86/879129486.db2.gz SFJMYNPKXFHHJN-UHFFFAOYSA-N 2 2 311.357 1.535 20 5 DDBDLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246416813 892612350 /nfs/dbraw/zinc/61/23/50/892612350.db2.gz MGHXBVQNHIRTDF-RISCZKNCSA-N 2 2 309.366 1.396 20 5 DDBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000595018593 356373159 /nfs/dbraw/zinc/37/31/59/356373159.db2.gz SPZVLFOCFVUDGY-OCCSQVGLSA-N 2 2 323.393 1.711 20 5 DDBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600714184 358292164 /nfs/dbraw/zinc/29/21/64/358292164.db2.gz QGOWJRUUYICXFR-TZMCWYRMSA-N 2 2 301.350 1.369 20 5 DDBDLP C[C@@H]1C[N@H+](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601111856 358406131 /nfs/dbraw/zinc/40/61/31/358406131.db2.gz YLYYQZROCSJDQZ-GFCCVEGCSA-N 2 2 316.361 1.698 20 5 DDBDLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601111856 358406134 /nfs/dbraw/zinc/40/61/34/358406134.db2.gz YLYYQZROCSJDQZ-GFCCVEGCSA-N 2 2 316.361 1.698 20 5 DDBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777232 359183245 /nfs/dbraw/zinc/18/32/45/359183245.db2.gz CIZGGEMMSJMEAD-KGLIPLIRSA-N 2 2 307.398 1.658 20 5 DDBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777232 359183248 /nfs/dbraw/zinc/18/32/48/359183248.db2.gz CIZGGEMMSJMEAD-KGLIPLIRSA-N 2 2 307.398 1.658 20 5 DDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777232 359183252 /nfs/dbraw/zinc/18/32/52/359183252.db2.gz CIZGGEMMSJMEAD-KGLIPLIRSA-N 2 2 307.398 1.658 20 5 DDBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777232 359183255 /nfs/dbraw/zinc/18/32/55/359183255.db2.gz CIZGGEMMSJMEAD-KGLIPLIRSA-N 2 2 307.398 1.658 20 5 DDBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000610805643 360540878 /nfs/dbraw/zinc/54/08/78/360540878.db2.gz UPJUQNHYDGRIHS-CYBMUJFWSA-N 2 2 320.393 1.328 20 5 DDBDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610805637 360540942 /nfs/dbraw/zinc/54/09/42/360540942.db2.gz PRILNPPGESRPOM-GFCCVEGCSA-N 2 2 306.366 1.019 20 5 DDBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000053100610 407163279 /nfs/dbraw/zinc/16/32/79/407163279.db2.gz IJZPZSNPTYBWIV-UHFFFAOYSA-N 2 2 318.421 1.808 20 5 DDBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107370053 407374237 /nfs/dbraw/zinc/37/42/37/407374237.db2.gz DHGJECQWDHSAGS-MRXNPFEDSA-N 2 2 318.421 1.807 20 5 DDBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000107370053 407374240 /nfs/dbraw/zinc/37/42/40/407374240.db2.gz DHGJECQWDHSAGS-MRXNPFEDSA-N 2 2 318.421 1.807 20 5 DDBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000129180659 407595741 /nfs/dbraw/zinc/59/57/41/407595741.db2.gz FDKQNZHKYSJMJK-HNNXBMFYSA-N 2 2 305.378 1.749 20 5 DDBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000129180659 407595746 /nfs/dbraw/zinc/59/57/46/407595746.db2.gz FDKQNZHKYSJMJK-HNNXBMFYSA-N 2 2 305.378 1.749 20 5 DDBDLP Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267227932 407798502 /nfs/dbraw/zinc/79/85/02/407798502.db2.gz VDJWKJZFFSZNIN-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000183210432 408354571 /nfs/dbraw/zinc/35/45/71/408354571.db2.gz ZCNKRZJFIZCJDC-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000183210432 408354574 /nfs/dbraw/zinc/35/45/74/408354574.db2.gz ZCNKRZJFIZCJDC-UHFFFAOYSA-N 2 2 307.394 1.792 20 5 DDBDLP Cn1c[nH+]cc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290166837 409312283 /nfs/dbraw/zinc/31/22/83/409312283.db2.gz XZCLDZBKWLVRAP-UHFFFAOYSA-N 2 2 315.377 1.693 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854865 410293176 /nfs/dbraw/zinc/29/31/76/410293176.db2.gz SADPEAIPIWQGCL-JQWIXIFHSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000351854865 410293182 /nfs/dbraw/zinc/29/31/82/410293182.db2.gz SADPEAIPIWQGCL-JQWIXIFHSA-N 2 2 317.349 1.814 20 5 DDBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000362064105 418747719 /nfs/dbraw/zinc/74/77/19/418747719.db2.gz PJIZUDSWTHYSEY-UHFFFAOYSA-N 2 2 317.349 1.359 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430549476 420134112 /nfs/dbraw/zinc/13/41/12/420134112.db2.gz XUPOKQQAHXXOBS-YNEHKIRRSA-N 2 2 320.393 1.981 20 5 DDBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430549476 420134114 /nfs/dbraw/zinc/13/41/14/420134114.db2.gz XUPOKQQAHXXOBS-YNEHKIRRSA-N 2 2 320.393 1.981 20 5 DDBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423520760 420071533 /nfs/dbraw/zinc/07/15/33/420071533.db2.gz QFVXIMRHQWMMAU-JSGCOSHPSA-N 2 2 322.409 1.548 20 5 DDBDLP C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430929732 420211348 /nfs/dbraw/zinc/21/13/48/420211348.db2.gz QAGWQESPYJLSLP-FZMZJTMJSA-N 2 2 306.366 1.227 20 5 DDBDLP C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430929732 420211350 /nfs/dbraw/zinc/21/13/50/420211350.db2.gz QAGWQESPYJLSLP-FZMZJTMJSA-N 2 2 306.366 1.227 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430602878 420153640 /nfs/dbraw/zinc/15/36/40/420153640.db2.gz MKPQDUUCUIBJHZ-CYBMUJFWSA-N 2 2 323.393 1.914 20 5 DDBDLP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430602878 420153643 /nfs/dbraw/zinc/15/36/43/420153643.db2.gz MKPQDUUCUIBJHZ-CYBMUJFWSA-N 2 2 323.393 1.914 20 5 DDBDLP Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420273466 420177481 /nfs/dbraw/zinc/17/74/81/420177481.db2.gz XMXFSAUERMZGAD-MNOVXSKESA-N 2 2 301.350 1.930 20 5 DDBDLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228308 420250918 /nfs/dbraw/zinc/25/09/18/420250918.db2.gz OJZOZNGWYMZMKJ-WBVHZDCISA-N 2 2 319.405 1.973 20 5 DDBDLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228308 420250924 /nfs/dbraw/zinc/25/09/24/420250924.db2.gz OJZOZNGWYMZMKJ-WBVHZDCISA-N 2 2 319.405 1.973 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757059 420707665 /nfs/dbraw/zinc/70/76/65/420707665.db2.gz GAHNKSDHRVTHBP-LALPHHSUSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442757059 420707669 /nfs/dbraw/zinc/70/76/69/420707669.db2.gz GAHNKSDHRVTHBP-LALPHHSUSA-N 2 2 318.377 1.369 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777262 420713673 /nfs/dbraw/zinc/71/36/73/420713673.db2.gz IQKVSHOXINXLKA-WDEREUQCSA-N 2 2 317.349 1.814 20 5 DDBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000442777262 420713675 /nfs/dbraw/zinc/71/36/75/420713675.db2.gz IQKVSHOXINXLKA-WDEREUQCSA-N 2 2 317.349 1.814 20 5 DDBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCC2)n1 ZINC000447522443 420779328 /nfs/dbraw/zinc/77/93/28/420779328.db2.gz YRSXBJKYRKTBIX-UONOGXRCSA-N 2 2 307.398 1.960 20 5 DDBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562775 420782366 /nfs/dbraw/zinc/78/23/66/420782366.db2.gz NBKUJHWAJQTXOG-MCIONIFRSA-N 2 2 307.398 1.959 20 5 DDBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562775 420782368 /nfs/dbraw/zinc/78/23/68/420782368.db2.gz NBKUJHWAJQTXOG-MCIONIFRSA-N 2 2 307.398 1.959 20 5 DDBDLP Cc1nn(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000162804935 697330260 /nfs/dbraw/zinc/33/02/60/697330260.db2.gz LTFDYFLWQUFWOW-UHFFFAOYSA-N 2 2 306.370 1.893 20 5 DDBDLP Cc1nn(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000162804935 697330261 /nfs/dbraw/zinc/33/02/61/697330261.db2.gz LTFDYFLWQUFWOW-UHFFFAOYSA-N 2 2 306.370 1.893 20 5 DDBDLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132079609 768610168 /nfs/dbraw/zinc/61/01/68/768610168.db2.gz DDWLVFZSWDSDEP-UHFFFAOYSA-N 2 2 317.349 1.087 20 5 DDBDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605203 355129354 /nfs/dbraw/zinc/12/93/54/355129354.db2.gz DKTFLEZOGMYOKZ-MRXNPFEDSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605203 355129356 /nfs/dbraw/zinc/12/93/56/355129356.db2.gz DKTFLEZOGMYOKZ-MRXNPFEDSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605203 355129359 /nfs/dbraw/zinc/12/93/59/355129359.db2.gz DKTFLEZOGMYOKZ-MRXNPFEDSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605203 355129361 /nfs/dbraw/zinc/12/93/61/355129361.db2.gz DKTFLEZOGMYOKZ-MRXNPFEDSA-N 2 2 307.394 1.872 20 5 DDBDLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592486136 355596016 /nfs/dbraw/zinc/59/60/16/355596016.db2.gz SLZRBMANGZMYBE-GXTWGEPZSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592486136 355596018 /nfs/dbraw/zinc/59/60/18/355596018.db2.gz SLZRBMANGZMYBE-GXTWGEPZSA-N 2 2 320.393 1.901 20 5 DDBDLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592486187 355596341 /nfs/dbraw/zinc/59/63/41/355596341.db2.gz YOUIANVAXQASEI-LALPHHSUSA-N 2 2 320.393 1.981 20 5 DDBDLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592486187 355596344 /nfs/dbraw/zinc/59/63/44/355596344.db2.gz YOUIANVAXQASEI-LALPHHSUSA-N 2 2 320.393 1.981 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428508 355580558 /nfs/dbraw/zinc/58/05/58/355580558.db2.gz VEEYAUCFIILRQR-LLVKDONJSA-N 2 2 307.350 1.407 20 5 DDBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592428508 355580562 /nfs/dbraw/zinc/58/05/62/355580562.db2.gz VEEYAUCFIILRQR-LLVKDONJSA-N 2 2 307.350 1.407 20 5 DDBDLP CCO[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593314862 355852644 /nfs/dbraw/zinc/85/26/44/355852644.db2.gz GSPPKONZLPSXOP-QAOXIVLQSA-N 2 2 305.378 1.904 20 5 DDBDLP CCO[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593314862 355852647 /nfs/dbraw/zinc/85/26/47/355852647.db2.gz GSPPKONZLPSXOP-QAOXIVLQSA-N 2 2 305.378 1.904 20 5 DDBDLP Cc1cc(NC[C@@H]2COCC[N@H+]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599159400 357832691 /nfs/dbraw/zinc/83/26/91/357832691.db2.gz BKNZIBLRBVFVCR-CYBMUJFWSA-N 2 2 316.361 1.616 20 5 DDBDLP Cc1cc(NC[C@@H]2COCC[N@@H+]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599159400 357832693 /nfs/dbraw/zinc/83/26/93/357832693.db2.gz BKNZIBLRBVFVCR-CYBMUJFWSA-N 2 2 316.361 1.616 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351476172 284330579 /nfs/dbraw/zinc/33/05/79/284330579.db2.gz JTAHKEJNDTYVTP-YUTCNCBUSA-N 2 2 318.377 1.511 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351476172 284330582 /nfs/dbraw/zinc/33/05/82/284330582.db2.gz JTAHKEJNDTYVTP-YUTCNCBUSA-N 2 2 318.377 1.511 20 5 DDBDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000266215332 205188324 /nfs/dbraw/zinc/18/83/24/205188324.db2.gz YPQLRUHZJROZGG-LBPRGKRZSA-N 2 2 320.393 1.996 20 5 DDBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000353360737 410942369 /nfs/dbraw/zinc/94/23/69/410942369.db2.gz LIMSSPBDMGUYGM-XQRVVYSFSA-N 2 2 319.405 1.997 20 5 DDBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000353360737 410942373 /nfs/dbraw/zinc/94/23/73/410942373.db2.gz LIMSSPBDMGUYGM-XQRVVYSFSA-N 2 2 319.405 1.997 20 5 DDBDLP CCC[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423311747 420009040 /nfs/dbraw/zinc/00/90/40/420009040.db2.gz QHPFODYVPRIKSC-LBPRGKRZSA-N 2 2 308.382 1.901 20 5 DDBDLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430618101 420160186 /nfs/dbraw/zinc/16/01/86/420160186.db2.gz RCLIBXVFPBMRIE-GFCCVEGCSA-N 2 2 306.366 1.526 20 5 DDBDLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430618101 420160191 /nfs/dbraw/zinc/16/01/91/420160191.db2.gz RCLIBXVFPBMRIE-GFCCVEGCSA-N 2 2 306.366 1.526 20 5 DDBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420359170 420234446 /nfs/dbraw/zinc/23/44/46/420234446.db2.gz GCYQJHFHGYJVFI-ZDUSSCGKSA-N 2 2 320.393 1.819 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420370826 420243161 /nfs/dbraw/zinc/24/31/61/420243161.db2.gz CXARTFMMCYLMSP-DGCLKSJQSA-N 2 2 320.393 1.758 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420370826 420243167 /nfs/dbraw/zinc/24/31/67/420243167.db2.gz CXARTFMMCYLMSP-DGCLKSJQSA-N 2 2 320.393 1.758 20 5 DDBDLP C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000364383749 300387686 /nfs/dbraw/zinc/38/76/86/300387686.db2.gz MPXBDTZNEXJFFM-ZDUSSCGKSA-N 2 2 319.409 1.595 20 5 DDBDLP C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000364383749 300387688 /nfs/dbraw/zinc/38/76/88/300387688.db2.gz MPXBDTZNEXJFFM-ZDUSSCGKSA-N 2 2 319.409 1.595 20 5 DDBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000819321830 704107437 /nfs/dbraw/zinc/10/74/37/704107437.db2.gz OGRPXRRHNZKITM-ABAIWWIYSA-N 2 2 302.334 1.498 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001184387307 744031372 /nfs/dbraw/zinc/03/13/72/744031372.db2.gz IVUBZHDSDNQJDB-FRRDWIJNSA-N 2 2 321.377 1.739 20 5 DDBDLP COc1c(O)ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001184387307 744031375 /nfs/dbraw/zinc/03/13/75/744031375.db2.gz IVUBZHDSDNQJDB-FRRDWIJNSA-N 2 2 321.377 1.739 20 5 DDBDLP Cc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001156176392 862777573 /nfs/dbraw/zinc/77/75/73/862777573.db2.gz LQRYZHHQEMYXKL-UHFFFAOYSA-N 2 2 307.398 1.736 20 5 DDBDLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC23CC3)c([N+](=O)[O-])c1 ZINC001246136306 892432362 /nfs/dbraw/zinc/43/23/62/892432362.db2.gz WGQKOCHSBURVSX-XHDPSFHLSA-N 2 2 305.378 1.876 20 5 DDBDLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000494405217 235031663 /nfs/dbraw/zinc/03/16/63/235031663.db2.gz MHEJWOKFSGJMIS-LBPRGKRZSA-N 2 2 302.334 1.905 20 5 DDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157960 304047439 /nfs/dbraw/zinc/04/74/39/304047439.db2.gz RHOHQERMQIUALE-VXGBXAGGSA-N 2 2 306.366 1.369 20 5 DDBDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000565157960 304047440 /nfs/dbraw/zinc/04/74/40/304047440.db2.gz RHOHQERMQIUALE-VXGBXAGGSA-N 2 2 306.366 1.369 20 5 DDBDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969920 356077021 /nfs/dbraw/zinc/07/70/21/356077021.db2.gz GNYIHCASRJFJJM-OLZOCXBDSA-N 2 2 311.382 1.185 20 5 DDBDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969920 356077024 /nfs/dbraw/zinc/07/70/24/356077024.db2.gz GNYIHCASRJFJJM-OLZOCXBDSA-N 2 2 311.382 1.185 20 5 DDBDLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066133 356759473 /nfs/dbraw/zinc/75/94/73/356759473.db2.gz PLQUGNHAFRHSRE-HIFRSBDPSA-N 2 2 323.393 1.408 20 5 DDBDLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596066133 356759478 /nfs/dbraw/zinc/75/94/78/356759478.db2.gz PLQUGNHAFRHSRE-HIFRSBDPSA-N 2 2 323.393 1.408 20 5 DDBDLP C[NH2+]C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596654363 356942961 /nfs/dbraw/zinc/94/29/61/356942961.db2.gz JSRRNFNREMKFPZ-SMDDNHRTSA-N 2 2 303.366 1.615 20 5 DDBDLP C[C@@H](C[NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237393687 202253645 /nfs/dbraw/zinc/25/36/45/202253645.db2.gz MPNQQEKPAQQVGY-JTQLQIEISA-N 2 2 303.322 1.105 20 5 DDBDLP [NH3+]C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000600724828 358297302 /nfs/dbraw/zinc/29/73/02/358297302.db2.gz IHNHOVYXUBTNRD-ZJUUUORDSA-N 2 2 321.303 1.250 20 5 DDBDLP [NH3+]C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000600724828 358297304 /nfs/dbraw/zinc/29/73/04/358297304.db2.gz IHNHOVYXUBTNRD-ZJUUUORDSA-N 2 2 321.303 1.250 20 5 DDBDLP COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000566244638 304132739 /nfs/dbraw/zinc/13/27/39/304132739.db2.gz ITNMWFNOMBUHBK-LLVKDONJSA-N 2 2 322.365 1.226 20 5 DDBDLP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000566244638 304132741 /nfs/dbraw/zinc/13/27/41/304132741.db2.gz ITNMWFNOMBUHBK-LLVKDONJSA-N 2 2 322.365 1.226 20 5 DDBDLP COCC[NH2+]C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000567279963 304210633 /nfs/dbraw/zinc/21/06/33/304210633.db2.gz ILGUUZWDJMXFHX-UHFFFAOYSA-N 2 2 307.394 1.838 20 5 DDBDLP C[NH+]1CCC([N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000269371531 408286172 /nfs/dbraw/zinc/28/61/72/408286172.db2.gz TUDIOUNKUGJGPZ-GQCTYLIASA-N 2 2 319.405 1.997 20 5 DDBDLP C[NH+]1CCC([N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000269371531 408286175 /nfs/dbraw/zinc/28/61/75/408286175.db2.gz TUDIOUNKUGJGPZ-GQCTYLIASA-N 2 2 319.405 1.997 20 5 DDBDLP C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000160471542 408486178 /nfs/dbraw/zinc/48/61/78/408486178.db2.gz GYCAETNOUUIZGP-LBPRGKRZSA-N 2 2 315.333 1.214 20 5 DDBDLP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098428 409872756 /nfs/dbraw/zinc/87/27/56/409872756.db2.gz BGCBEDMASDXYOH-WCQYABFASA-N 2 2 321.377 1.653 20 5 DDBDLP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000357098428 409872766 /nfs/dbraw/zinc/87/27/66/409872766.db2.gz BGCBEDMASDXYOH-WCQYABFASA-N 2 2 321.377 1.653 20 5 DDBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840924 410190993 /nfs/dbraw/zinc/19/09/93/410190993.db2.gz GJFLINIBJVSNQG-DRZSPHRISA-N 2 2 321.377 1.781 20 5 DDBDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346840924 410191002 /nfs/dbraw/zinc/19/10/02/410191002.db2.gz GJFLINIBJVSNQG-DRZSPHRISA-N 2 2 321.377 1.781 20 5 DDBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000131448381 196169773 /nfs/dbraw/zinc/16/97/73/196169773.db2.gz FNBYQVPKCAEJNG-OAHLLOKOSA-N 2 2 311.382 1.396 20 5 DDBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091119 419938405 /nfs/dbraw/zinc/93/84/05/419938405.db2.gz BPRLQCBZHQDJDR-CWRNSKLLSA-N 2 2 319.405 1.884 20 5 DDBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000423520761 420070363 /nfs/dbraw/zinc/07/03/63/420070363.db2.gz QFVXIMRHQWMMAU-OCCSQVGLSA-N 2 2 322.409 1.548 20 5 DDBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430548563 420132901 /nfs/dbraw/zinc/13/29/01/420132901.db2.gz CDHJZEJIVRLDFR-OAHLLOKOSA-N 2 2 308.382 1.805 20 5 DDBDLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430595561 420151720 /nfs/dbraw/zinc/15/17/20/420151720.db2.gz UVFYPYWNKUDJNX-GFCCVEGCSA-N 2 2 306.366 1.526 20 5 DDBDLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430595561 420151722 /nfs/dbraw/zinc/15/17/22/420151722.db2.gz UVFYPYWNKUDJNX-GFCCVEGCSA-N 2 2 306.366 1.526 20 5 DDBDLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420373532 420245778 /nfs/dbraw/zinc/24/57/78/420245778.db2.gz RHJIDAQATKSXID-OXJKWZBOSA-N 2 2 320.393 1.898 20 5 DDBDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522047 277116379 /nfs/dbraw/zinc/11/63/79/277116379.db2.gz RENADVVNARJTTA-CZUORRHYSA-N 2 2 318.421 1.810 20 5 DDBDLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420391169 277267311 /nfs/dbraw/zinc/26/73/11/277267311.db2.gz RRAJBVNNVSFOSX-NSHDSACASA-N 2 2 324.381 1.472 20 5 DDBDLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420391169 277267313 /nfs/dbraw/zinc/26/73/13/277267313.db2.gz RRAJBVNNVSFOSX-NSHDSACASA-N 2 2 324.381 1.472 20 5 DDBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966065 278345068 /nfs/dbraw/zinc/34/50/68/278345068.db2.gz YMDCZEFZDXGTBS-DOMZBBRYSA-N 2 2 320.393 1.585 20 5 DDBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000268966065 278345069 /nfs/dbraw/zinc/34/50/69/278345069.db2.gz YMDCZEFZDXGTBS-DOMZBBRYSA-N 2 2 320.393 1.585 20 5 DDBDLP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000128010960 281295111 /nfs/dbraw/zinc/29/51/11/281295111.db2.gz RHGKBACEPAFSBB-UHFFFAOYSA-N 2 2 320.393 1.949 20 5 DDBDLP O=[N+]([O-])c1ccnn1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174101414 697384341 /nfs/dbraw/zinc/38/43/41/697384341.db2.gz FVPZRPNONLEPDE-UHFFFAOYSA-N 2 2 323.397 1.326 20 5 DDBDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877665280 706173961 /nfs/dbraw/zinc/17/39/61/706173961.db2.gz OWDLNAGHUVTNOY-AWEZNQCLSA-N 2 2 307.394 1.572 20 5 DDBDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877665280 706173962 /nfs/dbraw/zinc/17/39/62/706173962.db2.gz OWDLNAGHUVTNOY-AWEZNQCLSA-N 2 2 307.394 1.572 20 5 DDBDLP Cc1c(C[NH2+]C2(CCO)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873134733 707744457 /nfs/dbraw/zinc/74/44/57/707744457.db2.gz TZILQSZZHYRDAV-UHFFFAOYSA-N 2 2 307.394 1.840 20 5 DDBDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000905026903 711912609 /nfs/dbraw/zinc/91/26/09/711912609.db2.gz OLRXLRZKCYYRNB-UHFFFAOYSA-N 2 2 322.409 1.074 20 5 DDBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000923428770 714353059 /nfs/dbraw/zinc/35/30/59/714353059.db2.gz QYNFWHRMOKHZJD-LSDHHAIUSA-N 2 2 305.378 1.893 20 5 DDBDLP